smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164776380 721339865 /nfs/dbraw/zinc/33/98/65/721339865.db2.gz AVKDYVGHEUSXDV-FQEVSTJZSA-N 0 0 401.467 2.714 20 5 HFBDRN Cc1nc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164794347 721527480 /nfs/dbraw/zinc/52/74/80/721527480.db2.gz BZHHVQYTPRSWEI-YQQAZPJKSA-N 0 0 418.885 2.610 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]12 ZINC001164796157 721528096 /nfs/dbraw/zinc/52/80/96/721528096.db2.gz WSXQNDLYNANOPE-KSZLIROESA-N 0 0 403.870 2.906 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805226 721533679 /nfs/dbraw/zinc/53/36/79/721533679.db2.gz LITHDWFCERRPLQ-KCZVDYSFSA-N 0 0 420.473 2.801 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@@H]2CCCO[C@H]12 ZINC001164805228 721533726 /nfs/dbraw/zinc/53/37/26/721533726.db2.gz LITHDWFCERRPLQ-SJBKTWHCSA-N 0 0 420.473 2.801 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@@H]12 ZINC001164805231 721533774 /nfs/dbraw/zinc/53/37/74/721533774.db2.gz LITHDWFCERRPLQ-TUNNFDKTSA-N 0 0 420.473 2.801 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)[C@H]2CCCO[C@H]12 ZINC001164805234 721534031 /nfs/dbraw/zinc/53/40/31/721534031.db2.gz LITHDWFCERRPLQ-VWPQPMDRSA-N 0 0 420.473 2.801 20 5 HFBDRN COc1cccc(OC)c1CN1CCC(N(C)c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165022031 721842185 /nfs/dbraw/zinc/84/21/85/721842185.db2.gz NEYGFPGILPJBSF-UHFFFAOYSA-N 0 0 416.478 2.655 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987118 722174966 /nfs/dbraw/zinc/17/49/66/722174966.db2.gz MWPZQVXZQOTFAS-DZGCQCFKSA-N 0 0 424.914 2.673 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(C)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164989654 722175065 /nfs/dbraw/zinc/17/50/65/722175065.db2.gz UUJOGCBTNJMIGD-SJLPKXTDSA-N 0 0 403.508 2.933 20 5 HFBDRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001164996179 722213985 /nfs/dbraw/zinc/21/39/85/722213985.db2.gz MQACTAQUGLAZRQ-VHRBIJSZSA-N 0 0 418.828 2.697 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000792997163 1078044308 /nfs/dbraw/zinc/04/43/08/1078044308.db2.gz LAVRFJYZARLRJU-INIZCTEOSA-N 0 0 419.478 2.627 20 5 HFBDRN O=C1N(CN2CCO[C@@H](COc3ccccc3)C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000790466739 1078044926 /nfs/dbraw/zinc/04/49/26/1078044926.db2.gz GZRITNKOJBTOAW-GOSISDBHSA-N 0 0 412.446 2.574 20 5 HFBDRN CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790504423 1078047285 /nfs/dbraw/zinc/04/72/85/1078047285.db2.gz GOWYAZQAWMKWQC-UHFFFAOYSA-N 0 0 415.830 2.819 20 5 HFBDRN COc1ccc(OC)c([C@@H](O)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790529661 1078051753 /nfs/dbraw/zinc/05/17/53/1078051753.db2.gz FVAKDAHLSSPJOT-INIZCTEOSA-N 0 0 412.801 2.797 20 5 HFBDRN COCCN(Cc1cccnc1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793036702 1078052917 /nfs/dbraw/zinc/05/29/17/1078052917.db2.gz RSSYFBRWQDUEEB-UHFFFAOYSA-N 0 0 414.462 2.901 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000790548024 1078053669 /nfs/dbraw/zinc/05/36/69/1078053669.db2.gz UABREZWNWHYZGT-INIZCTEOSA-N 0 0 405.813 2.847 20 5 HFBDRN CCN(CCc1ccccn1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000793041185 1078054087 /nfs/dbraw/zinc/05/40/87/1078054087.db2.gz VDDNKEYNGMHGTM-UHFFFAOYSA-N 0 0 421.251 2.782 20 5 HFBDRN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790556887 1078055322 /nfs/dbraw/zinc/05/53/22/1078055322.db2.gz KVKKQUWHKUTGRW-UHFFFAOYSA-N 0 0 419.796 2.684 20 5 HFBDRN COc1ccc(-n2cc(CNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])nn2)cc1 ZINC000790558485 1078055681 /nfs/dbraw/zinc/05/56/81/1078055681.db2.gz JDDNDCGVJBMQFT-UHFFFAOYSA-N 0 0 419.800 2.836 20 5 HFBDRN CC1(C)CN=C(N2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)S1 ZINC000790560503 1078056298 /nfs/dbraw/zinc/05/62/98/1078056298.db2.gz VYTNTPSTWDDBJD-UHFFFAOYSA-N 0 0 414.890 2.955 20 5 HFBDRN CCN(C[C@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793051055 1078057006 /nfs/dbraw/zinc/05/70/06/1078057006.db2.gz SLDQHAYLVUKQKU-ZDUSSCGKSA-N 0 0 405.373 2.603 20 5 HFBDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000793065838 1078060700 /nfs/dbraw/zinc/06/07/00/1078060700.db2.gz CMXFLRSCHCJJJL-AWEZNQCLSA-N 0 0 419.478 2.627 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCS(=O)(=O)Cc1ccccc1 ZINC000790580435 1078061024 /nfs/dbraw/zinc/06/10/24/1078061024.db2.gz QPXHBTOEHCTVME-UHFFFAOYSA-N 0 0 414.842 2.661 20 5 HFBDRN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000790593483 1078063426 /nfs/dbraw/zinc/06/34/26/1078063426.db2.gz GLJKBBNKGWLMMX-GFCCVEGCSA-N 0 0 405.480 2.832 20 5 HFBDRN Cc1ncccc1NC(=O)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793088104 1078065941 /nfs/dbraw/zinc/06/59/41/1078065941.db2.gz KJJIHBWBNOEGQB-UHFFFAOYSA-N 0 0 419.235 2.584 20 5 HFBDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000790573474 1078066552 /nfs/dbraw/zinc/06/65/52/1078066552.db2.gz LZOTXLHQZRQAQI-GFCCVEGCSA-N 0 0 417.393 2.976 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCc1nnc2n1CCCCC2 ZINC000790631083 1078068090 /nfs/dbraw/zinc/06/80/90/1078068090.db2.gz YYBDLNZSJKBCOC-UHFFFAOYSA-N 0 0 409.849 2.997 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)c1c(C)nn(C)c1C ZINC000746931429 1078068275 /nfs/dbraw/zinc/06/82/75/1078068275.db2.gz SJOFYEGCZPHYFY-GXFFZTMASA-N 0 0 404.423 2.628 20 5 HFBDRN Cc1ccncc1NC(=O)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793094197 1078073470 /nfs/dbraw/zinc/07/34/70/1078073470.db2.gz YDCQWTCPTYLHDP-UHFFFAOYSA-N 0 0 419.235 2.584 20 5 HFBDRN Cc1nccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1Cl ZINC000790635459 1078070829 /nfs/dbraw/zinc/07/08/29/1078070829.db2.gz IZJWIMVIJVMRDH-UHFFFAOYSA-N 0 0 400.800 2.699 20 5 HFBDRN O=C(NCc1ccn(Cc2ccccc2)n1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000793096744 1078074194 /nfs/dbraw/zinc/07/41/94/1078074194.db2.gz OLEGRZQFKYBTLV-UHFFFAOYSA-N 0 0 413.821 2.748 20 5 HFBDRN COC(=O)[C@H](COCc1ccccc1)Nc1nccc(Br)c1[N+](=O)[O-] ZINC001170141801 1078079346 /nfs/dbraw/zinc/07/93/46/1078079346.db2.gz PPCUVLOVJGMBOC-ZDUSSCGKSA-N 0 0 410.224 2.923 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCNC(=O)c1cccnc1 ZINC000793154792 1078091931 /nfs/dbraw/zinc/09/19/31/1078091931.db2.gz IAYUFZSYWZPTGT-UHFFFAOYSA-N 0 0 408.208 2.648 20 5 HFBDRN O=C(c1ccc(S(=O)(=O)N2CCCC2)o1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000747106250 1078093280 /nfs/dbraw/zinc/09/32/80/1078093280.db2.gz TWTQIQVLFRRVFR-UHFFFAOYSA-N 0 0 419.459 2.777 20 5 HFBDRN CCc1ccc(C(=O)Oc2cccc(NC(=O)CN3CCCC3=O)c2)cc1[N+](=O)[O-] ZINC000747106463 1078098784 /nfs/dbraw/zinc/09/87/84/1078098784.db2.gz UDOQXJDPYPGVHY-UHFFFAOYSA-N 0 0 411.414 2.937 20 5 HFBDRN O=C(Cn1ccc2ccccc2c1=O)OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000790724481 1078115240 /nfs/dbraw/zinc/11/52/40/1078115240.db2.gz VYWLPNAKYYUUSD-UHFFFAOYSA-N 0 0 406.354 2.703 20 5 HFBDRN C[C@@H](OC(=O)Cn1ccc2ccccc2c1=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000790726941 1078116736 /nfs/dbraw/zinc/11/67/36/1078116736.db2.gz NAQJNPMSEDMEJW-GFCCVEGCSA-N 0 0 413.361 2.619 20 5 HFBDRN COC(=O)c1cnc(Sc2nnc(CSc3ccccc3)n2N)c([N+](=O)[O-])c1 ZINC000790770475 1078122878 /nfs/dbraw/zinc/12/28/78/1078122878.db2.gz FVKFMAKIQLTADR-UHFFFAOYSA-N 0 0 418.460 2.525 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1Cc2ccccc2O1 ZINC000790746291 1078123211 /nfs/dbraw/zinc/12/32/11/1078123211.db2.gz QLEAFSOSXJIQTH-CYBMUJFWSA-N 0 0 422.796 2.593 20 5 HFBDRN CS(=O)(=O)c1ccccc1CC(=O)OCc1cnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000790777775 1078131139 /nfs/dbraw/zinc/13/11/39/1078131139.db2.gz IDZNZHGVJPSIMY-UHFFFAOYSA-N 0 0 416.411 2.939 20 5 HFBDRN COc1cccc(Cl)c1CC(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000790778791 1078131799 /nfs/dbraw/zinc/13/17/99/1078131799.db2.gz MTUNUUAHUSNFRC-UHFFFAOYSA-N 0 0 407.810 2.554 20 5 HFBDRN COC(=O)c1cc(OS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000790842157 1078144039 /nfs/dbraw/zinc/14/40/39/1078144039.db2.gz AVNBFLDWBATSIH-UHFFFAOYSA-N 0 0 410.360 2.674 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000790843989 1078145459 /nfs/dbraw/zinc/14/54/59/1078145459.db2.gz SKIOLMBNYDBNDS-CYBMUJFWSA-N 0 0 401.441 2.555 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] ZINC000790847540 1078146776 /nfs/dbraw/zinc/14/67/76/1078146776.db2.gz YYGGDZBROYLVCK-UHFFFAOYSA-N 0 0 401.347 2.877 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CCCO)CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000790847975 1078147462 /nfs/dbraw/zinc/14/74/62/1078147462.db2.gz FCZYLMJDQGQFDP-UHFFFAOYSA-N 0 0 403.457 2.539 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](CCO)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790851263 1078148904 /nfs/dbraw/zinc/14/89/04/1078148904.db2.gz DBEUWXHDZIFWGN-HNNXBMFYSA-N 0 0 423.447 2.564 20 5 HFBDRN CCOC(=O)COc1ccc(OS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000790851738 1078150015 /nfs/dbraw/zinc/15/00/15/1078150015.db2.gz NGDLAVSEVJCZAT-UHFFFAOYSA-N 0 0 409.416 2.921 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1[N+](=O)[O-] ZINC000790854513 1078150900 /nfs/dbraw/zinc/15/09/00/1078150900.db2.gz VUQOJYSDUUTVNJ-CQSZACIVSA-N 0 0 413.496 2.793 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790856270 1078151925 /nfs/dbraw/zinc/15/19/25/1078151925.db2.gz IMCBGISPKOSOJT-MEDUHNTESA-N 0 0 423.447 2.910 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2COc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000790824942 1078157778 /nfs/dbraw/zinc/15/77/78/1078157778.db2.gz ZCRKNXQLWZRYGA-ZDUSSCGKSA-N 0 0 421.431 2.649 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc3c2OCCO3)c(C)c1[N+](=O)[O-] ZINC000790870490 1078166382 /nfs/dbraw/zinc/16/63/82/1078166382.db2.gz CIZJLMKEHQEVKV-UHFFFAOYSA-N 0 0 410.360 2.659 20 5 HFBDRN CCOC(=O)N1CCC[C@H]([C@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000790876388 1078168819 /nfs/dbraw/zinc/16/88/19/1078168819.db2.gz XZHPPBQJDVIIEY-GJZGRUSLSA-N 0 0 413.496 2.747 20 5 HFBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000747120127 1078176108 /nfs/dbraw/zinc/17/61/08/1078176108.db2.gz XVOOAKGAXZOMAT-QMMMGPOBSA-N 0 0 405.329 2.783 20 5 HFBDRN COc1ccc(OS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1[N+](=O)[O-] ZINC000790899546 1078177106 /nfs/dbraw/zinc/17/71/06/1078177106.db2.gz XYJHYUMFUDIKKS-UHFFFAOYSA-N 0 0 418.427 2.597 20 5 HFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790918719 1078183423 /nfs/dbraw/zinc/18/34/23/1078183423.db2.gz WGPZCLILYQNXHY-UHFFFAOYSA-N 0 0 409.439 2.923 20 5 HFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000793523720 1078198865 /nfs/dbraw/zinc/19/88/65/1078198865.db2.gz CBGKLVPMPYRZKU-UHFFFAOYSA-N 0 0 411.867 2.988 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000793527356 1078199609 /nfs/dbraw/zinc/19/96/09/1078199609.db2.gz RSOHNVSEDZXEKD-CZUORRHYSA-N 0 0 419.482 2.648 20 5 HFBDRN O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000793653578 1078227981 /nfs/dbraw/zinc/22/79/81/1078227981.db2.gz DQOBNGNWXKUREZ-UHFFFAOYSA-N 0 0 419.441 2.588 20 5 HFBDRN O=C(OCc1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000747144768 1078262381 /nfs/dbraw/zinc/26/23/81/1078262381.db2.gz KERJQMZLNZQCCE-UHFFFAOYSA-N 0 0 414.374 2.598 20 5 HFBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747147129 1078292985 /nfs/dbraw/zinc/29/29/85/1078292985.db2.gz ZRSFPRAHHFCJRW-UHFFFAOYSA-N 0 0 412.446 2.755 20 5 HFBDRN COc1ccc(C[C@](C)(O)CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000793903936 1078333720 /nfs/dbraw/zinc/33/37/20/1078333720.db2.gz AHNLCPGGTWSUGE-OQFUBPRESA-N 0 0 400.431 2.735 20 5 HFBDRN Cc1[nH]nc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c1[N+](=O)[O-] ZINC000794000253 1078359397 /nfs/dbraw/zinc/35/93/97/1078359397.db2.gz FKCZVDSTESKJBG-UHFFFAOYSA-N 0 0 403.292 2.618 20 5 HFBDRN CCNC(=O)N(C)c1cccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1 ZINC000794112760 1078373816 /nfs/dbraw/zinc/37/38/16/1078373816.db2.gz DTRBOOFPDZCQJO-UHFFFAOYSA-N 0 0 409.406 2.594 20 5 HFBDRN COc1ccc([C@@H]2C[C@H]2NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000794149593 1078384868 /nfs/dbraw/zinc/38/48/68/1078384868.db2.gz ILEJPHJIVQBKDX-ARFHVFGLSA-N 0 0 415.471 2.942 20 5 HFBDRN Cc1c(C(=O)NCc2ccc(NC(=O)N(C)C)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794372344 1078430079 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COC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)c1 ZINC000804609392 1078655459 /nfs/dbraw/zinc/65/54/59/1078655459.db2.gz BUCRGWBRTWYESQ-UHFFFAOYSA-N 0 0 405.432 2.788 20 5 HFBDRN CNS(=O)(=O)c1ccc(N2CCC([C@@H](O)c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000804811070 1078655799 /nfs/dbraw/zinc/65/57/99/1078655799.db2.gz OBURTQFASCQGOA-HXUWFJFHSA-N 0 0 419.503 2.761 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000804814104 1078658189 /nfs/dbraw/zinc/65/81/89/1078658189.db2.gz OXJAOGVEODKJSE-AWEZNQCLSA-N 0 0 407.301 2.573 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1Cl ZINC000804820059 1078661508 /nfs/dbraw/zinc/66/15/08/1078661508.db2.gz YZGQSFIFPHEZDE-YHWZYXNKSA-N 0 0 424.885 2.530 20 5 HFBDRN CCOC(=O)C1(S(C)(=O)=O)CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000804825271 1078664072 /nfs/dbraw/zinc/66/40/72/1078664072.db2.gz MDLHPHOUCOIJEG-UHFFFAOYSA-N 0 0 404.872 2.503 20 5 HFBDRN 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COC(=O)c1cc(C)nc(NCC(F)(F)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000804624816 1078675288 /nfs/dbraw/zinc/67/52/88/1078675288.db2.gz QHDBVFRQUMQQSB-UHFFFAOYSA-N 0 0 404.370 2.657 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804834221 1078675322 /nfs/dbraw/zinc/67/53/22/1078675322.db2.gz BYVBBPZSCPPNNW-SFHVURJKSA-N 0 0 420.510 2.873 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804835407 1078677700 /nfs/dbraw/zinc/67/77/00/1078677700.db2.gz UCYCIPGABUESAF-QGZVFWFLSA-N 0 0 418.494 2.929 20 5 HFBDRN COC[C@@]1(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804837593 1078679124 /nfs/dbraw/zinc/67/91/24/1078679124.db2.gz GKOUOSUDAGUSCM-IBGZPJMESA-N 0 0 424.454 2.604 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000804839649 1078680152 /nfs/dbraw/zinc/68/01/52/1078680152.db2.gz QFFDMXZEOTWONP-UHFFFAOYSA-N 0 0 406.294 2.862 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000804630528 1078684076 /nfs/dbraw/zinc/68/40/76/1078684076.db2.gz DKHCUZMZLNJYHW-UONOGXRCSA-N 0 0 411.842 2.758 20 5 HFBDRN CCc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804643314 1078695083 /nfs/dbraw/zinc/69/50/83/1078695083.db2.gz YLOVNNQVLZIZMR-SJORKVTESA-N 0 0 405.451 2.667 20 5 HFBDRN CCOC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3COC)CC2)nc1 ZINC000747203781 1078699913 /nfs/dbraw/zinc/69/99/13/1078699913.db2.gz GNSUDVZKDFXSKH-UHFFFAOYSA-N 0 0 400.435 2.640 20 5 HFBDRN COc1cc(F)cc(C[C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC001129763655 1078706588 /nfs/dbraw/zinc/70/65/88/1078706588.db2.gz IUPPXVOXVBMVCL-LLVKDONJSA-N 0 0 410.423 2.507 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000804633243 1078710539 /nfs/dbraw/zinc/71/05/39/1078710539.db2.gz LZQGFFAJRKQPNT-GJZGRUSLSA-N 0 0 423.491 2.583 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804641140 1078728929 /nfs/dbraw/zinc/72/89/29/1078728929.db2.gz MGDXZXXRUQYZFY-DZGCQCFKSA-N 0 0 416.434 2.586 20 5 HFBDRN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000804890721 1078748547 /nfs/dbraw/zinc/74/85/47/1078748547.db2.gz WQRXXOWOPKDLOO-CQSZACIVSA-N 0 0 414.220 2.796 20 5 HFBDRN COc1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000804939392 1078765135 /nfs/dbraw/zinc/76/51/35/1078765135.db2.gz LHWQDLGPFPBNED-JSGCOSHPSA-N 0 0 408.455 2.801 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)N3CCO[C@@]4(CCSC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001130018353 1078773140 /nfs/dbraw/zinc/77/31/40/1078773140.db2.gz FADRWFLSUWFYJH-FQEVSTJZSA-N 0 0 416.503 2.805 20 5 HFBDRN O=C(NCC[C@H]1COc2ccccc2O1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001130007910 1078787925 /nfs/dbraw/zinc/78/79/25/1078787925.db2.gz PXJHGTMYEOKZSB-AWEZNQCLSA-N 0 0 412.377 2.880 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001130003673 1078781084 /nfs/dbraw/zinc/78/10/84/1078781084.db2.gz JIXJQYMTHVGIBG-GOSISDBHSA-N 0 0 418.450 2.733 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000804925611 1078781119 /nfs/dbraw/zinc/78/11/19/1078781119.db2.gz ZVDVYASQPYYKPJ-KRWDZBQOSA-N 0 0 415.450 2.910 20 5 HFBDRN COC(=O)C1(N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C2CC2)CCC1 ZINC001130004478 1078781918 /nfs/dbraw/zinc/78/19/18/1078781918.db2.gz CUWXVOJKOLTCCX-UHFFFAOYSA-N 0 0 411.252 2.987 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000804931821 1078787103 /nfs/dbraw/zinc/78/71/03/1078787103.db2.gz SZCMPRMVEOQADF-CYBMUJFWSA-N 0 0 410.446 2.929 20 5 HFBDRN C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000804957817 1078797398 /nfs/dbraw/zinc/79/73/98/1078797398.db2.gz BTNMJLYWHAVLOV-JTQLQIEISA-N 0 0 420.415 2.631 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000805113639 1078898989 /nfs/dbraw/zinc/89/89/89/1078898989.db2.gz KBYIKILRWSHIMX-OAHLLOKOSA-N 0 0 413.496 2.891 20 5 HFBDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000805125135 1078924889 /nfs/dbraw/zinc/92/48/89/1078924889.db2.gz HRXUSGAXWYFDQA-NSHDSACASA-N 0 0 409.443 2.749 20 5 HFBDRN COC(=O)c1ccc(OC)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000747229666 1078928087 /nfs/dbraw/zinc/92/80/87/1078928087.db2.gz UNNCVLZCVMNPMA-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN Cc1ccc2c(c1)CCN(C(=O)CN1c3ccc([N+](=O)[O-])cc3C(F)(F)C1=O)C2 ZINC001130089798 1078930876 /nfs/dbraw/zinc/93/08/76/1078930876.db2.gz GCMLLNKDYVCBSC-UHFFFAOYSA-N 0 0 401.369 2.927 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CSc3ccccc3O2)c([N+](=O)[O-])c1 ZINC001130093058 1078937753 /nfs/dbraw/zinc/93/77/53/1078937753.db2.gz FNTVNKOQCVOWSG-GFCCVEGCSA-N 0 0 422.484 2.672 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCc2c1cccc2Br ZINC001130108229 1078964238 /nfs/dbraw/zinc/96/42/38/1078964238.db2.gz MTZBBWRJFFLEEO-UHFFFAOYSA-N 0 0 418.203 2.855 20 5 HFBDRN COc1cc(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])ccc1Br ZINC000747234712 1078985392 /nfs/dbraw/zinc/98/53/92/1078985392.db2.gz URWBJEBEMMLRJE-UHFFFAOYSA-N 0 0 416.205 2.946 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000805275007 1079004535 /nfs/dbraw/zinc/00/45/35/1079004535.db2.gz JKQIUWPLJJFPIR-UHFFFAOYSA-N 0 0 412.381 2.642 20 5 HFBDRN CSc1ccc(C(=O)OCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000805330073 1079021121 /nfs/dbraw/zinc/02/11/21/1079021121.db2.gz IAYFEYWNYHRVPC-UHFFFAOYSA-N 0 0 411.457 2.956 20 5 HFBDRN CCOC(=O)C[C@@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(C)=O ZINC000805381463 1079053591 /nfs/dbraw/zinc/05/35/91/1079053591.db2.gz PZXKPRJYTDVKEY-FZKQIMNGSA-N 0 0 406.435 2.899 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000805409713 1079072232 /nfs/dbraw/zinc/07/22/32/1079072232.db2.gz FOFMPMNANKJFIL-KRWDZBQOSA-N 0 0 415.450 2.911 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000805415739 1079076728 /nfs/dbraw/zinc/07/67/28/1079076728.db2.gz RTAZTYWRQPXLQF-MRXNPFEDSA-N 0 0 415.450 2.911 20 5 HFBDRN CCOC(=O)C[C@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)C(C)=O ZINC000805485149 1079096682 /nfs/dbraw/zinc/09/66/82/1079096682.db2.gz GCHYQGGHHYDRAN-LBPRGKRZSA-N 0 0 406.160 2.564 20 5 HFBDRN COc1nc(C)cc(C)c1COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000805541013 1079130625 /nfs/dbraw/zinc/13/06/25/1079130625.db2.gz QHBADKZQWRVWJU-UHFFFAOYSA-N 0 0 413.386 2.626 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(F)c1N ZINC000805597443 1079171274 /nfs/dbraw/zinc/17/12/74/1079171274.db2.gz PAZNDDTXYRWFQR-SECBINFHSA-N 0 0 407.354 2.517 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ncsc1Br ZINC000805709372 1079213185 /nfs/dbraw/zinc/21/31/85/1079213185.db2.gz FCCRGRWRUOGXOY-UHFFFAOYSA-N 0 0 400.210 2.918 20 5 HFBDRN O=C(COC(=O)COCc1ccccn1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000805694147 1079222048 /nfs/dbraw/zinc/22/20/48/1079222048.db2.gz GQHWRODXLMLOEK-UHFFFAOYSA-N 0 0 413.308 2.707 20 5 HFBDRN COC(=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(F)cc2O1 ZINC001130372206 1079247540 /nfs/dbraw/zinc/24/75/40/1079247540.db2.gz IARMCTIMTDBFQH-GOSISDBHSA-N 0 0 413.361 2.725 20 5 HFBDRN O=C(NCCOC(=O)c1ccc2oc(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000805866893 1079310495 /nfs/dbraw/zinc/31/04/95/1079310495.db2.gz RZCAJPAALNYPLY-UHFFFAOYSA-N 0 0 405.750 2.682 20 5 HFBDRN COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)NCCc2ccncc2)cc1SC ZINC000805983332 1079364781 /nfs/dbraw/zinc/36/47/81/1079364781.db2.gz GBMZIKBPXSZQGW-GFCCVEGCSA-N 0 0 419.459 2.625 20 5 HFBDRN Cc1ccc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(F)(F)F)o1 ZINC001130466738 1079370590 /nfs/dbraw/zinc/37/05/90/1079370590.db2.gz KXFSQVPRCOIUDS-ZDUSSCGKSA-N 0 0 406.338 2.933 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000747291094 1079389295 /nfs/dbraw/zinc/38/92/95/1079389295.db2.gz PYVSRWYRMQEZJL-UHFFFAOYSA-N 0 0 401.485 2.766 20 5 HFBDRN COCC1(CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001130511938 1079437799 /nfs/dbraw/zinc/43/77/99/1079437799.db2.gz YZPWIGSHMZHUDZ-LJQANCHMSA-N 0 0 407.467 2.878 20 5 HFBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C2CC2)[C@H]2CCCCO2)cc1OC ZINC001130538330 1079474533 /nfs/dbraw/zinc/47/45/33/1079474533.db2.gz ZIRJKXCSQDCJBB-VQIMIIECSA-N 0 0 408.451 2.706 20 5 HFBDRN Cn1cccc1[C@@H]1CCCCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746679520 1076773615 /nfs/dbraw/zinc/77/36/15/1076773615.db2.gz OXNUDJRFEJQFSI-NRFANRHFSA-N 0 0 411.506 2.809 20 5 HFBDRN O=C(Nc1cccc(CN2CCOC2=O)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787400182 1076807694 /nfs/dbraw/zinc/80/76/94/1076807694.db2.gz XBYLXFUMFJAHMW-UHFFFAOYSA-N 0 0 412.402 2.842 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000787503113 1076827777 /nfs/dbraw/zinc/82/77/77/1076827777.db2.gz QMBATCICQXBXNB-UHFFFAOYSA-N 0 0 405.451 2.832 20 5 HFBDRN CCOC(=O)c1csc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)n1 ZINC000787466648 1076833550 /nfs/dbraw/zinc/83/35/50/1076833550.db2.gz KZXARJNRNVSHKI-UHFFFAOYSA-N 0 0 418.475 2.801 20 5 HFBDRN O=C(NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000787536920 1076852677 /nfs/dbraw/zinc/85/26/77/1076852677.db2.gz LQSIRSJYCJYYEQ-GOSISDBHSA-N 0 0 421.409 2.952 20 5 HFBDRN Cc1nn(C)c(C(=O)NC[C@H](C(=O)OCc2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000787540807 1076854171 /nfs/dbraw/zinc/85/41/71/1076854171.db2.gz IYENUEPYYUMBRN-SFHVURJKSA-N 0 0 422.441 2.894 20 5 HFBDRN Cc1nccn1CCCN(C)S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000746691137 1076859867 /nfs/dbraw/zinc/85/98/67/1076859867.db2.gz UCVUPIZDRYRCQW-UHFFFAOYSA-N 0 0 417.285 2.573 20 5 HFBDRN 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C[C@@H]1[C@@H](C(F)(F)F)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582406 1077471660 /nfs/dbraw/zinc/47/16/60/1077471660.db2.gz GCUJCYNMAZDJPG-CJNGLKHVSA-N 0 0 400.401 2.516 20 5 HFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000791585255 1077472436 /nfs/dbraw/zinc/47/24/36/1077472436.db2.gz XNBAGTPGEZKKKD-MRXNPFEDSA-N 0 0 407.220 2.856 20 5 HFBDRN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1O ZINC000789255317 1077476299 /nfs/dbraw/zinc/47/62/99/1077476299.db2.gz GUEVYFMNRMAXFN-SNVBAGLBSA-N 0 0 422.365 2.570 20 5 HFBDRN O=C(OCCn1cc([N+](=O)[O-])cn1)c1nc(Br)ccc1Br ZINC000791556390 1077478231 /nfs/dbraw/zinc/47/82/31/1077478231.db2.gz BWJQZIZJVWKZAB-UHFFFAOYSA-N 0 0 420.017 2.568 20 5 HFBDRN COc1cc(CC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1O ZINC000789259716 1077479482 /nfs/dbraw/zinc/47/94/82/1077479482.db2.gz LSMOADSHBNYADJ-UHFFFAOYSA-N 0 0 424.793 2.695 20 5 HFBDRN COC(=O)c1cn(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12 ZINC000791621854 1077490410 /nfs/dbraw/zinc/49/04/10/1077490410.db2.gz YWJAAYBBWXUAFJ-UHFFFAOYSA-N 0 0 413.342 2.988 20 5 HFBDRN CN(C(=O)[C@@H]1CC(=O)c2ccccc21)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789348995 1077512230 /nfs/dbraw/zinc/51/22/30/1077512230.db2.gz VCUIPGGHKSRCBZ-CYBMUJFWSA-N 0 0 408.819 2.766 20 5 HFBDRN CCOc1nc(C)ccc1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000791653309 1077513023 /nfs/dbraw/zinc/51/30/23/1077513023.db2.gz IBARLRGZWHSHJM-LBPRGKRZSA-N 0 0 403.391 2.890 20 5 HFBDRN COC(=O)c1ccc(C)c(NC(=O)COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000791693338 1077530697 /nfs/dbraw/zinc/53/06/97/1077530697.db2.gz WYPDDAMYFQNKHM-UHFFFAOYSA-N 0 0 416.386 2.802 20 5 HFBDRN COc1cc(C(=O)OCC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000791692751 1077530739 /nfs/dbraw/zinc/53/07/39/1077530739.db2.gz FTUMUDFIPIHTQC-CXAGYDPISA-N 0 0 408.451 2.780 20 5 HFBDRN COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1C ZINC000791694041 1077530934 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/nfs/dbraw/zinc/54/81/53/1077548153.db2.gz RFXZKIIHUHQAFE-HNNXBMFYSA-N 0 0 415.402 2.884 20 5 HFBDRN O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC(=O)c2cccn21 ZINC000789422373 1077553251 /nfs/dbraw/zinc/55/32/51/1077553251.db2.gz HWJRSUKWGNEVNW-KBXCAEBGSA-N 0 0 411.414 2.762 20 5 HFBDRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789443060 1077574959 /nfs/dbraw/zinc/57/49/59/1077574959.db2.gz OCVUMGLVBHGYRO-UHFFFAOYSA-N 0 0 416.384 2.639 20 5 HFBDRN CC(=O)N(CCC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccccc1 ZINC000791828227 1077576281 /nfs/dbraw/zinc/57/62/81/1077576281.db2.gz WRGGQFXGDYMHMU-UHFFFAOYSA-N 0 0 401.375 2.985 20 5 HFBDRN Cc1cnc(COC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000789444822 1077576417 /nfs/dbraw/zinc/57/64/17/1077576417.db2.gz NBTJWHKHABBECN-UHFFFAOYSA-N 0 0 409.439 2.676 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c(C)c1[N+](=O)[O-] ZINC000789445320 1077577648 /nfs/dbraw/zinc/57/76/48/1077577648.db2.gz DYIGFCQRNAJFIZ-ZIAGYGMSSA-N 0 0 400.435 2.972 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1 ZINC000789446460 1077578247 /nfs/dbraw/zinc/57/82/47/1077578247.db2.gz SCIZBXMXHSVUNG-UHFFFAOYSA-N 0 0 421.475 2.635 20 5 HFBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000791880569 1077584651 /nfs/dbraw/zinc/58/46/51/1077584651.db2.gz PHZMYKMDDDPZSI-FOGDFJRCSA-N 0 0 403.332 2.886 20 5 HFBDRN C[C@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)CCO2 ZINC000791887875 1077587127 /nfs/dbraw/zinc/58/71/27/1077587127.db2.gz HCDJSMNQDDUUDJ-IIBYNOLFSA-N 0 0 403.479 2.851 20 5 HFBDRN COc1cc(C(=O)OC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc([N+](=O)[O-])c1C ZINC000791873715 1077594671 /nfs/dbraw/zinc/59/46/71/1077594671.db2.gz KBMCRTKQEJFRCE-CQSZACIVSA-N 0 0 410.423 2.705 20 5 HFBDRN O=C(OCCc1cn(-c2ccccc2F)nn1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000789504713 1077599205 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IHMBLBXMQXNSSW-UHFFFAOYSA-N 0 0 406.372 2.553 20 5 HFBDRN CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789526021 1077621287 /nfs/dbraw/zinc/62/12/87/1077621287.db2.gz UOAMRBSLGXVULV-GOSISDBHSA-N 0 0 416.865 2.920 20 5 HFBDRN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CN2CCC(CC(F)(F)F)CC2)C1=O ZINC000789528092 1077623296 /nfs/dbraw/zinc/62/32/96/1077623296.db2.gz ODXHMLCMUIWAGP-QGZVFWFLSA-N 0 0 414.384 2.984 20 5 HFBDRN C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000791991290 1077623864 /nfs/dbraw/zinc/62/38/64/1077623864.db2.gz BHWIVWJRWNVYTO-NSHDSACASA-N 0 0 408.388 2.753 20 5 HFBDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000772739863 1077636340 /nfs/dbraw/zinc/63/63/40/1077636340.db2.gz FXOGOJHLEMBUBX-HIFRSBDPSA-N 0 0 421.450 2.690 20 5 HFBDRN O=C(OCC[C@@H]1CNC(=O)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000792013391 1077650022 /nfs/dbraw/zinc/65/00/22/1077650022.db2.gz WKLDOOWWZDIZDW-VIFPVBQESA-N 0 0 413.217 2.770 20 5 HFBDRN CC1(C)Cc2cccc(NC(=O)C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2O1 ZINC000789559093 1077677746 /nfs/dbraw/zinc/67/77/46/1077677746.db2.gz JSCHTFPECLUBQB-UHFFFAOYSA-N 0 0 424.457 2.596 20 5 HFBDRN COC(=O)c1ccc(C)c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000789627684 1077699921 /nfs/dbraw/zinc/69/99/21/1077699921.db2.gz FLULCRJYIPTBJM-UHFFFAOYSA-N 0 0 400.387 2.553 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC[C@H]1C(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789591400 1077700855 /nfs/dbraw/zinc/70/08/55/1077700855.db2.gz LOWRWAOKEWIBTH-ZDUSSCGKSA-N 0 0 409.399 2.901 20 5 HFBDRN COc1ccc(OC(=O)[C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1[N+](=O)[O-] ZINC000792117353 1077703755 /nfs/dbraw/zinc/70/37/55/1077703755.db2.gz GTDULQYATKFVFM-SNVBAGLBSA-N 0 0 418.431 2.584 20 5 HFBDRN COC(=O)c1ccc(C)c(COC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000789630649 1077711209 /nfs/dbraw/zinc/71/12/09/1077711209.db2.gz PXKLQNCDCJTFIA-UHFFFAOYSA-N 0 0 414.414 2.883 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn2cc(Br)cnc12 ZINC000792090579 1077711766 /nfs/dbraw/zinc/71/17/66/1077711766.db2.gz LYRGHUZADFSIKD-UHFFFAOYSA-N 0 0 422.151 2.665 20 5 HFBDRN O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000789649289 1077718952 /nfs/dbraw/zinc/71/89/52/1077718952.db2.gz BTUCQZKATKFRKX-BXUZGUMPSA-N 0 0 400.313 2.690 20 5 HFBDRN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000792137250 1077719365 /nfs/dbraw/zinc/71/93/65/1077719365.db2.gz ZKBXZFRUBIEVQF-JLHYYAGUSA-N 0 0 403.412 2.828 20 5 HFBDRN O=C(OC[C@H]1CCCS(=O)(=O)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000792158039 1077726291 /nfs/dbraw/zinc/72/62/91/1077726291.db2.gz MEBUZNRWKQCION-LLVKDONJSA-N 0 0 421.421 2.941 20 5 HFBDRN COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC000792123717 1077728834 /nfs/dbraw/zinc/72/88/34/1077728834.db2.gz NIYYEIUOCIJKOC-LLVKDONJSA-N 0 0 421.387 2.783 20 5 HFBDRN O=C(c1ccccc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H](O)C1 ZINC000789667155 1077734269 /nfs/dbraw/zinc/73/42/69/1077734269.db2.gz HFDUXIMXDCOXQK-HNNXBMFYSA-N 0 0 400.391 2.712 20 5 HFBDRN Cc1c(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1S(=O)(=O)NC1CC1 ZINC000789673619 1077736935 /nfs/dbraw/zinc/73/69/35/1077736935.db2.gz YJOFBDGAESEECX-UHFFFAOYSA-N 0 0 406.420 2.864 20 5 HFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792357229 1077813482 /nfs/dbraw/zinc/81/34/82/1077813482.db2.gz BAWRNQTUCYQTME-UHFFFAOYSA-N 0 0 422.800 2.791 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000747068783 1077828395 /nfs/dbraw/zinc/82/83/95/1077828395.db2.gz UDGGMASSOMKXRA-CHWSQXEVSA-N 0 0 409.439 2.968 20 5 HFBDRN Nn1c(COc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789892924 1077852240 /nfs/dbraw/zinc/85/22/40/1077852240.db2.gz IJMXQDREBLVTQC-UHFFFAOYSA-N 0 0 402.392 2.680 20 5 HFBDRN CCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H](O)c1ccccc1 ZINC000792412704 1077861507 /nfs/dbraw/zinc/86/15/07/1077861507.db2.gz ROOIHMBGVNTRIY-QAPCUYQASA-N 0 0 401.419 2.560 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](Cc1ccccc1)C(N)=O ZINC000792475307 1077874252 /nfs/dbraw/zinc/87/42/52/1077874252.db2.gz XWRNEDLJXGGMGP-HNNXBMFYSA-N 0 0 407.220 2.919 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC1CCS(=O)(=O)CC1 ZINC000792476463 1077874972 /nfs/dbraw/zinc/87/49/72/1077874972.db2.gz WLQVJMAVAPDJHT-UHFFFAOYSA-N 0 0 406.254 2.647 20 5 HFBDRN C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)NC(=O)OC(C)(C)C ZINC000792515648 1077883146 /nfs/dbraw/zinc/88/31/46/1077883146.db2.gz IMZSRLIRZPSUBS-JTQLQIEISA-N 0 0 416.272 2.929 20 5 HFBDRN CCOC(=O)COc1ncc(N[C@@H](CCc2ccccc2)C(=O)OC)cc1[N+](=O)[O-] ZINC001170175869 1077900640 /nfs/dbraw/zinc/90/06/40/1077900640.db2.gz UZDMHNBCMQHQME-INIZCTEOSA-N 0 0 417.418 2.518 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](CCO)CC(C)C ZINC000790031173 1077903771 /nfs/dbraw/zinc/90/37/71/1077903771.db2.gz GBMFNKBDXBLYSS-LBPRGKRZSA-N 0 0 423.329 2.989 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC(c2cccnc2)=NO1 ZINC000792540521 1077904090 /nfs/dbraw/zinc/90/40/90/1077904090.db2.gz OGHCANGBISAHME-HNNXBMFYSA-N 0 0 406.192 2.989 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CO)CC(C)(C)C ZINC000790038725 1077907212 /nfs/dbraw/zinc/90/72/12/1077907212.db2.gz MMCVLBYMHWDILK-JTQLQIEISA-N 0 0 409.302 2.741 20 5 HFBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCCN1Cc1ccccn1 ZINC000790074521 1077922981 /nfs/dbraw/zinc/92/29/81/1077922981.db2.gz FNNXDNHTQDOIOK-LJQANCHMSA-N 0 0 413.430 2.954 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000790075338 1077923632 /nfs/dbraw/zinc/92/36/32/1077923632.db2.gz ZTOVCNGSRJTFCZ-QMMMGPOBSA-N 0 0 411.212 2.827 20 5 HFBDRN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000792632121 1077943024 /nfs/dbraw/zinc/94/30/24/1077943024.db2.gz TXCVFFXUULEAKV-HNNXBMFYSA-N 0 0 411.414 2.990 20 5 HFBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746877977 1077944036 /nfs/dbraw/zinc/94/40/36/1077944036.db2.gz QZARFPNNJVWYAC-DBDZUICISA-N 0 0 400.460 2.902 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)[C@@H](O)[C@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001170358194 1077949770 /nfs/dbraw/zinc/94/97/70/1077949770.db2.gz XXJPRGKQOLLTAH-YMTYPPQLSA-N 0 0 400.431 2.572 20 5 HFBDRN COc1cc(COC(=O)c2ccc([N+](=O)[O-])n2C)c([N+](=O)[O-])cc1OC(F)F ZINC000792640614 1077951358 /nfs/dbraw/zinc/95/13/58/1077951358.db2.gz FGARBIJQAPLTFY-UHFFFAOYSA-N 0 0 401.278 2.809 20 5 HFBDRN COc1cc(OCC(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001170347087 1077954625 /nfs/dbraw/zinc/95/46/25/1077954625.db2.gz IBNLGCVHIDHJBU-KGLIPLIRSA-N 0 0 423.466 2.886 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nn1cnc2ccccc2c1=O ZINC000790139497 1077954840 /nfs/dbraw/zinc/95/48/40/1077954840.db2.gz MUDBYWUHFHVISG-UHFFFAOYSA-N 0 0 403.192 2.760 20 5 HFBDRN COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(F)cc(C)c3[N+](=O)[O-])n2)c1C ZINC000790160371 1077962650 /nfs/dbraw/zinc/96/26/50/1077962650.db2.gz CTNZFJOZCWCHDG-UHFFFAOYSA-N 0 0 414.397 2.955 20 5 HFBDRN O=C(CNc1c2ccc(Br)cc2ncc1[N+](=O)[O-])NCc1ccco1 ZINC001170380547 1077963568 /nfs/dbraw/zinc/96/35/68/1077963568.db2.gz PMUJEWYRBKLHRF-UHFFFAOYSA-N 0 0 405.208 2.649 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000746884906 1077965289 /nfs/dbraw/zinc/96/52/89/1077965289.db2.gz DLDKQWFOHKVQJL-XJKCOSOUSA-N 0 0 406.439 2.525 20 5 HFBDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cn1 ZINC000792712793 1077972303 /nfs/dbraw/zinc/97/23/03/1077972303.db2.gz GLPNIOSDMHDXRH-OLRZCDJHSA-N 0 0 422.898 2.577 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000790280777 1077983963 /nfs/dbraw/zinc/98/39/63/1077983963.db2.gz YATAOJWVHJDBPY-MRVPVSSYSA-N 0 0 409.748 2.540 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000790282525 1077984515 /nfs/dbraw/zinc/98/45/15/1077984515.db2.gz VRHWUQGHFBGTND-CYBMUJFWSA-N 0 0 410.858 2.617 20 5 HFBDRN C[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000790287439 1077985994 /nfs/dbraw/zinc/98/59/94/1077985994.db2.gz HOKCNMAULAJJIM-NSHDSACASA-N 0 0 424.397 2.663 20 5 HFBDRN COc1cccc(-c2nc(C[S@@](=O)CCn3cc([N+](=O)[O-])cn3)cs2)c1OC ZINC000772819894 1077988254 /nfs/dbraw/zinc/98/82/54/1077988254.db2.gz SSNAXFKJXLGCSY-NDEPHWFRSA-N 0 0 422.488 2.881 20 5 HFBDRN O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])N1CCOC[C@@H]1C1CC1 ZINC000790297063 1077988667 /nfs/dbraw/zinc/98/86/67/1077988667.db2.gz XOIJRQPEVQCCKV-CYBMUJFWSA-N 0 0 403.204 2.513 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@@H](O)c2nccn2C)CC1 ZINC000790271168 1077992174 /nfs/dbraw/zinc/99/21/74/1077992174.db2.gz OOURXRHASUBQSW-MRXNPFEDSA-N 0 0 408.842 2.718 20 5 HFBDRN O=C(COC(=O)c1cc(Cc2ccccc2)[nH]n1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000792793892 1077993689 /nfs/dbraw/zinc/99/36/89/1077993689.db2.gz MOEDBHJDWZDRII-UHFFFAOYSA-N 0 0 406.398 2.655 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cc(C)c([N+](=O)[O-])cc3F)cc2CC1 ZINC000790275770 1077993936 /nfs/dbraw/zinc/99/39/36/1077993936.db2.gz CBTDUNDOPOMCCI-UHFFFAOYSA-N 0 0 422.434 2.757 20 5 HFBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000790348707 1078000915 /nfs/dbraw/zinc/00/09/15/1078000915.db2.gz SHXMKFGIRFCJKC-UHFFFAOYSA-N 0 0 415.393 2.913 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCN(c3ccc(F)c(F)c3)CC2)cs1 ZINC000790348149 1078001084 /nfs/dbraw/zinc/00/10/84/1078001084.db2.gz PGAOMFWKNAJEJW-UHFFFAOYSA-N 0 0 403.432 2.836 20 5 HFBDRN COc1cc(COC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)c([N+](=O)[O-])cc1F ZINC000792813755 1078002401 /nfs/dbraw/zinc/00/24/01/1078002401.db2.gz BPTKUCKDJIHXDS-CYBMUJFWSA-N 0 0 409.391 2.747 20 5 HFBDRN CCOc1cc(COC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000792820329 1078004864 /nfs/dbraw/zinc/00/48/64/1078004864.db2.gz SRNCOEXBEXKBKH-OAHLLOKOSA-N 0 0 405.428 2.998 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cccnc2OC(C)C)c([N+](=O)[O-])c1 ZINC000792839188 1078012445 /nfs/dbraw/zinc/01/24/45/1078012445.db2.gz XKDKPEHHFYUDDS-LBPRGKRZSA-N 0 0 403.391 2.970 20 5 HFBDRN COc1cncc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000790368222 1078016130 /nfs/dbraw/zinc/01/61/30/1078016130.db2.gz RQJLRSJPMRUHNC-HNNXBMFYSA-N 0 0 414.418 2.635 20 5 HFBDRN COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790368600 1078016167 /nfs/dbraw/zinc/01/61/67/1078016167.db2.gz IKNMYEKOPVZZFX-UHFFFAOYSA-N 0 0 417.393 2.776 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] ZINC000790399334 1078025980 /nfs/dbraw/zinc/02/59/80/1078025980.db2.gz MPFXXPQSZRLEEY-UHFFFAOYSA-N 0 0 409.376 2.674 20 5 HFBDRN CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000790428299 1078028309 /nfs/dbraw/zinc/02/83/09/1078028309.db2.gz HNNCJFWDORRNLP-GFCCVEGCSA-N 0 0 403.888 2.626 20 5 HFBDRN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000790434522 1078029838 /nfs/dbraw/zinc/02/98/38/1078029838.db2.gz NQNIIBFWOXCXAM-ZFWWWQNUSA-N 0 0 424.450 2.741 20 5 HFBDRN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@](=O)CCn1cc([N+](=O)[O-])cn1 ZINC000772824965 1078030856 /nfs/dbraw/zinc/03/08/56/1078030856.db2.gz OFYFACHSIKLFIX-HHHXNRCGSA-N 0 0 407.883 2.947 20 5 HFBDRN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000792979579 1078031378 /nfs/dbraw/zinc/03/13/78/1078031378.db2.gz NFGWQHCUBCWALL-UHFFFAOYSA-N 0 0 422.482 2.862 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC2(CCOCC2)CC1 ZINC000790443382 1078033766 /nfs/dbraw/zinc/03/37/66/1078033766.db2.gz SRMLFPACCSJUOS-UHFFFAOYSA-N 0 0 419.297 2.939 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC3(CCOCC3)CC2)c1 ZINC000790446145 1078034143 /nfs/dbraw/zinc/03/41/43/1078034143.db2.gz ONPGAFLDJMAJPY-UHFFFAOYSA-N 0 0 419.297 2.939 20 5 HFBDRN Nc1ccc(Br)c(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000747094568 1078036551 /nfs/dbraw/zinc/03/65/51/1078036551.db2.gz QQLNGNFKWXEIQT-HNNXBMFYSA-N 0 0 420.219 2.902 20 5 HFBDRN COC(=O)CCN(Cc1cccc(Br)c1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000790455721 1078036910 /nfs/dbraw/zinc/03/69/10/1078036910.db2.gz KTYQFIULNBVBRB-UHFFFAOYSA-N 0 0 411.256 2.885 20 5 HFBDRN CCCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000792965959 1078037632 /nfs/dbraw/zinc/03/76/32/1078037632.db2.gz JWSMUJOOFPPABT-UHFFFAOYSA-N 0 0 418.494 2.738 20 5 HFBDRN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000790458921 1078037827 /nfs/dbraw/zinc/03/78/27/1078037827.db2.gz GGPHEEUMKYEOTA-INIZCTEOSA-N 0 0 409.895 2.796 20 5 HFBDRN COc1ccc([C@@H](CN(C)C)NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000790479837 1078041035 /nfs/dbraw/zinc/04/10/35/1078041035.db2.gz GOHAWSMVYFJDIZ-MRXNPFEDSA-N 0 0 411.455 2.632 20 5 HFBDRN CCOC(=O)c1csc([C@H]2CCCN2Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000790481389 1078041299 /nfs/dbraw/zinc/04/12/99/1078041299.db2.gz DLPYXEXHEMVIMQ-CYBMUJFWSA-N 0 0 418.431 2.931 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000792990007 1078042435 /nfs/dbraw/zinc/04/24/35/1078042435.db2.gz QQCQQMQWWLGQKV-ZDUSSCGKSA-N 0 0 403.357 2.621 20 5 HFBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCC12OCCO2 ZINC000806320027 1079590812 /nfs/dbraw/zinc/59/08/12/1079590812.db2.gz XYTHZPWCKRILMX-LBPRGKRZSA-N 0 0 403.357 2.685 20 5 HFBDRN COC(=O)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCC[C@@H](OC)C1 ZINC001130630432 1079710322 /nfs/dbraw/zinc/71/03/22/1079710322.db2.gz AQTFPPNYICNHEX-HBUWYVDXSA-N 0 0 415.446 2.807 20 5 HFBDRN Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(Cl)n1 ZINC000806453677 1079724076 /nfs/dbraw/zinc/72/40/76/1079724076.db2.gz CTRGSYYVYSNHIY-UHFFFAOYSA-N 0 0 408.867 2.540 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000806493922 1079744629 /nfs/dbraw/zinc/74/46/29/1079744629.db2.gz IOKBWOJCESQHRJ-MRXNPFEDSA-N 0 0 408.455 2.756 20 5 HFBDRN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001130764487 1080057167 /nfs/dbraw/zinc/05/71/67/1080057167.db2.gz HVBJNXVZSDOVGO-MRXNPFEDSA-N 0 0 405.838 2.866 20 5 HFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1SC ZINC001130773691 1080083993 /nfs/dbraw/zinc/08/39/93/1080083993.db2.gz QZCNAGOZUGRJRS-UHFFFAOYSA-N 0 0 403.464 2.525 20 5 HFBDRN COc1ccc(N2C[C@@H](NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2=O)cc1 ZINC001130788798 1080145628 /nfs/dbraw/zinc/14/56/28/1080145628.db2.gz LJIKFQKQNWMKRJ-ZDUSSCGKSA-N 0 0 406.398 2.687 20 5 HFBDRN COc1ccc(N2C[C@H](NC(=O)c3cccc(SC)c3[N+](=O)[O-])CC2=O)cc1 ZINC001130789840 1080146662 /nfs/dbraw/zinc/14/66/62/1080146662.db2.gz XCDAGPQFACNBQH-GFCCVEGCSA-N 0 0 401.444 2.861 20 5 HFBDRN O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001130847510 1080289893 /nfs/dbraw/zinc/28/98/93/1080289893.db2.gz UGERCZADAGIWTD-VIFPVBQESA-N 0 0 407.285 2.740 20 5 HFBDRN CSc1cccc(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC001130871920 1080346692 /nfs/dbraw/zinc/34/66/92/1080346692.db2.gz MKRKCGVYRGEUES-UHFFFAOYSA-N 0 0 410.473 2.992 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CC(c2ccc3c(c2)CCO3)=NO1 ZINC000807215659 1080368427 /nfs/dbraw/zinc/36/84/27/1080368427.db2.gz XIIJJYRMIRPZGC-SFHVURJKSA-N 0 0 424.457 2.907 20 5 HFBDRN CCOC(=O)C1CN(Cc2ccccc2)CCC1=Nc1nc(OC)ncc1[N+](=O)[O-] ZINC001170521993 1080492401 /nfs/dbraw/zinc/49/24/01/1080492401.db2.gz SODFIBMJBJRCRP-UHFFFAOYSA-N 0 0 413.434 2.528 20 5 HFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807319531 1080513705 /nfs/dbraw/zinc/51/37/05/1080513705.db2.gz FHZGUUTZOCDNQU-QHEVRDBASA-N 0 0 401.463 2.713 20 5 HFBDRN 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Cc1c(NC(=O)C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)c(F)ccc1[N+](=O)[O-] ZINC000807506623 1080709505 /nfs/dbraw/zinc/70/95/05/1080709505.db2.gz HHUGVGVBNNYAPQ-KBPBESRZSA-N 0 0 417.437 2.994 20 5 HFBDRN O=C(Nc1ccnn1CC1CC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000807473876 1080726090 /nfs/dbraw/zinc/72/60/90/1080726090.db2.gz BJRGDPBAPIGMEZ-UHFFFAOYSA-N 0 0 408.212 2.541 20 5 HFBDRN O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC001320873199 1126170737 /nfs/dbraw/zinc/17/07/37/1126170737.db2.gz ZDXIAZFGTGTAHT-IBGZPJMESA-N 0 0 409.446 2.857 20 5 HFBDRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164663089 719360474 /nfs/dbraw/zinc/36/04/74/719360474.db2.gz IBIRIUZPNIOUFY-SECBINFHSA-N 0 0 402.789 2.550 20 5 HFBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc([N+](=O)[O-])n3)C2)C1 ZINC001164776383 721339633 /nfs/dbraw/zinc/33/96/33/721339633.db2.gz AVKDYVGHEUSXDV-HXUWFJFHSA-N 0 0 401.467 2.714 20 5 HFBDRN 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CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001164996180 722213926 /nfs/dbraw/zinc/21/39/26/722213926.db2.gz MQACTAQUGLAZRQ-ZKYQVNSYSA-N 0 0 418.828 2.697 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001165004247 722259857 /nfs/dbraw/zinc/25/98/57/722259857.db2.gz PMLAMZTUPMTQEP-IBGZPJMESA-N 0 0 419.844 2.710 20 5 HFBDRN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000790520924 1078049848 /nfs/dbraw/zinc/04/98/48/1078049848.db2.gz OQWXIKNLMVPCND-OKILXGFUSA-N 0 0 414.418 2.708 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H](O)COc1ccc(F)cc1 ZINC000790576835 1078067085 /nfs/dbraw/zinc/06/70/85/1078067085.db2.gz LVHOYZLPKAZXFR-LBPRGKRZSA-N 0 0 400.765 2.625 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CC[NH+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000790635639 1078070808 /nfs/dbraw/zinc/07/08/08/1078070808.db2.gz UMDWCFMOIYBGGL-UHFFFAOYSA-N 0 0 404.492 2.764 20 5 HFBDRN CN(CC(N)=O)C(=O)c1cccc(NCc2c(Br)cccc2[N+](=O)[O-])c1 ZINC000790638282 1078071514 /nfs/dbraw/zinc/07/15/14/1078071514.db2.gz XVPARJVOZPPSJO-UHFFFAOYSA-N 0 0 421.251 2.527 20 5 HFBDRN COc1ccc(C2=N/C(=C\c3c(Br)c(C)nn3C)C(=O)O2)cc1[N+](=O)[O-] ZINC000790616608 1078077855 /nfs/dbraw/zinc/07/78/55/1078077855.db2.gz AFXPHNRVFOSTLH-YFHOEESVSA-N 0 0 421.207 2.752 20 5 HFBDRN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000746934985 1078080078 /nfs/dbraw/zinc/08/00/78/1078080078.db2.gz NJQKIZFTRXSOTQ-UHFFFAOYSA-N 0 0 411.729 2.769 20 5 HFBDRN C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000746938652 1078088840 /nfs/dbraw/zinc/08/88/40/1078088840.db2.gz IJXLOACJHNZRBD-ODXCJYRJSA-N 0 0 421.425 2.914 20 5 HFBDRN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000746938472 1078089978 /nfs/dbraw/zinc/08/99/78/1078089978.db2.gz KZBQMKDOZCEYTA-QGZVFWFLSA-N 0 0 405.451 2.722 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(S(=O)(=O)NC)ccc1C ZINC000746942640 1078107388 /nfs/dbraw/zinc/10/73/88/1078107388.db2.gz UMJYCXMSLZVUKC-UHFFFAOYSA-N 0 0 408.432 2.567 20 5 HFBDRN O=C(COC(=O)Cn1ccc2ccccc2c1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000790720415 1078107759 /nfs/dbraw/zinc/10/77/59/1078107759.db2.gz LPTHLKMMIOAZKN-UHFFFAOYSA-N 0 0 415.789 2.745 20 5 HFBDRN CSCCONC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000793249691 1078110009 /nfs/dbraw/zinc/11/00/09/1078110009.db2.gz RZOHZHUVBXOZHS-UHFFFAOYSA-N 0 0 408.402 2.740 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1nnc(-c2ccco2)o1 ZINC000790744653 1078122932 /nfs/dbraw/zinc/12/29/32/1078122932.db2.gz ICKJTWPSXOYWNG-UHFFFAOYSA-N 0 0 424.728 2.755 20 5 HFBDRN Cc1cccn2c(=O)cc(COC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])nc12 ZINC000790747291 1078123647 /nfs/dbraw/zinc/12/36/47/1078123647.db2.gz XKDMECVBVBFSKG-UHFFFAOYSA-N 0 0 405.769 2.990 20 5 HFBDRN CS(=O)(=O)Cc1nc(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cs1 ZINC000790747213 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/nfs/dbraw/zinc/14/20/50/1078142050.db2.gz LLQLDBJPUGRPBP-UHFFFAOYSA-N 0 0 420.447 2.761 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](C)Oc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790843952 1078145434 /nfs/dbraw/zinc/14/54/34/1078145434.db2.gz RLNILAGXEYTDTL-LLVKDONJSA-N 0 0 409.420 2.866 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000790843990 1078145451 /nfs/dbraw/zinc/14/54/51/1078145451.db2.gz SKIOLMBNYDBNDS-ZDUSSCGKSA-N 0 0 401.441 2.555 20 5 HFBDRN COC1CCC(N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790849396 1078147722 /nfs/dbraw/zinc/14/77/22/1078147722.db2.gz BGOQTBIBXHCJEC-UHFFFAOYSA-N 0 0 401.441 2.698 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000790849907 1078148592 /nfs/dbraw/zinc/14/85/92/1078148592.db2.gz GJQQXLKITBKORL-UHFFFAOYSA-N 0 0 401.485 2.793 20 5 HFBDRN CCO[C@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(C)C ZINC000790851594 1078148952 /nfs/dbraw/zinc/14/89/52/1078148952.db2.gz QSMGAFOOWMILOR-CQSZACIVSA-N 0 0 403.457 2.849 20 5 HFBDRN Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790852239 1078149746 /nfs/dbraw/zinc/14/97/46/1078149746.db2.gz SBROQHLMJQMDKW-AWEZNQCLSA-N 0 0 421.435 2.574 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc([C@H](C)O)cc2)c(C)c1[N+](=O)[O-] ZINC000790853066 1078150619 /nfs/dbraw/zinc/15/06/19/1078150619.db2.gz NLOFBWQPSZRKLL-LBPRGKRZSA-N 0 0 409.420 2.652 20 5 HFBDRN COC(=O)c1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790820168 1078154897 /nfs/dbraw/zinc/15/48/97/1078154897.db2.gz UYABVXOLTNPXFC-UHFFFAOYSA-N 0 0 410.360 2.674 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000790821780 1078156411 /nfs/dbraw/zinc/15/64/11/1078156411.db2.gz AEECSZJJUSPTLW-ZFWWWQNUSA-N 0 0 403.460 2.768 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)c(C)c1[N+](=O)[O-] ZINC000790824294 1078157232 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IYNSZSSYQCXPJY-AWEZNQCLSA-N 0 0 402.325 2.550 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC(=O)c1cccs1 ZINC000747124966 1078187384 /nfs/dbraw/zinc/18/73/84/1078187384.db2.gz HOKQLJNWCFUFQF-UHFFFAOYSA-N 0 0 416.333 2.831 20 5 HFBDRN COc1c(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000793481261 1078188407 /nfs/dbraw/zinc/18/84/07/1078188407.db2.gz ZCEYOQYSQCPTFS-NSHDSACASA-N 0 0 403.464 2.838 20 5 HFBDRN O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747126232 1078198561 /nfs/dbraw/zinc/19/85/61/1078198561.db2.gz UJTMNOUXZRHIKD-SNVBAGLBSA-N 0 0 400.231 2.934 20 5 HFBDRN CC1(C)CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1c1cccnc1 ZINC000793570691 1078224508 /nfs/dbraw/zinc/22/45/08/1078224508.db2.gz HAXIVMSYSMQCPI-DYESRHJHSA-N 0 0 409.446 2.797 20 5 HFBDRN Cc1nn(CN2CC[C@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701201 1078273857 /nfs/dbraw/zinc/27/38/57/1078273857.db2.gz CJLTYMFPBMVBSN-YOEHRIQHSA-N 0 0 416.482 2.937 20 5 HFBDRN CC(C)(C)OC(=O)NCCCOCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001170437085 1078303282 /nfs/dbraw/zinc/30/32/82/1078303282.db2.gz SGKOPEINESGMRV-UHFFFAOYSA-N 0 0 401.847 2.909 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C[C@@](C)(O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000794039114 1078364018 /nfs/dbraw/zinc/36/40/18/1078364018.db2.gz AJLHBPHHDDMDNN-JOCHJYFZSA-N 0 0 413.474 2.940 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)n1 ZINC000794039079 1078364035 /nfs/dbraw/zinc/36/40/35/1078364035.db2.gz WHTIFQZKCCKAKO-MRXNPFEDSA-N 0 0 415.450 2.590 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)/C=C\c3cncc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000794043387 1078364667 /nfs/dbraw/zinc/36/46/67/1078364667.db2.gz NBOOSQSQSJHJPQ-UTCJRWHESA-N 0 0 400.410 2.890 20 5 HFBDRN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000794100061 1078372182 /nfs/dbraw/zinc/37/21/82/1078372182.db2.gz NVJCRQGUAJHCQU-UHFFFAOYSA-N 0 0 403.351 2.948 20 5 HFBDRN CCNC(=O)N(C)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c1 ZINC000794114399 1078374019 /nfs/dbraw/zinc/37/40/19/1078374019.db2.gz UKHQNXJPFHVMPX-UHFFFAOYSA-N 0 0 400.391 2.784 20 5 HFBDRN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000794204483 1078384489 /nfs/dbraw/zinc/38/44/89/1078384489.db2.gz BBIWOTHUAAIPLD-ONGXEEELSA-N 0 0 410.345 2.818 20 5 HFBDRN COc1ccc([C@@H]2C[C@H]2NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000794155064 1078385229 /nfs/dbraw/zinc/38/52/29/1078385229.db2.gz ZPXBNFAJTJLTSR-DLBZAZTESA-N 0 0 411.414 2.964 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000794262648 1078411054 /nfs/dbraw/zinc/41/10/54/1078411054.db2.gz VWMVCKWNAWRHIC-ZDUSSCGKSA-N 0 0 418.299 2.861 20 5 HFBDRN Cc1ccc(N(C)C[C@H](O)COCCOC(C)C)c([N+](=O)[O-])c1Br ZINC000804376505 1078453712 /nfs/dbraw/zinc/45/37/12/1078453712.db2.gz DKJFRNCQKLZLDS-ZDUSSCGKSA-N 0 0 405.289 2.904 20 5 HFBDRN Cc1ccc(N2CCC(N(C)S(C)(=O)=O)CC2)c([N+](=O)[O-])c1Br 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CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000804792607 1078624486 /nfs/dbraw/zinc/62/44/86/1078624486.db2.gz XMVBJDRVVRKLNR-OAHLLOKOSA-N 0 0 408.304 2.842 20 5 HFBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1csnn1 ZINC001129949573 1078624985 /nfs/dbraw/zinc/62/49/85/1078624985.db2.gz FOJCHTKRCWIGCF-LURJTMIESA-N 0 0 405.173 2.969 20 5 HFBDRN CC[C@@](CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)(C(=O)OC)c1ccccc1 ZINC001129669305 1078628455 /nfs/dbraw/zinc/62/84/55/1078628455.db2.gz WQAATQXDXIOHLE-NRFANRHFSA-N 0 0 416.430 2.619 20 5 HFBDRN COc1cc(F)cc(C[C@H](C)NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC001129647660 1078636178 /nfs/dbraw/zinc/63/61/78/1078636178.db2.gz OEVHVXPIRPNRIT-NSHDSACASA-N 0 0 410.423 2.507 20 5 HFBDRN CON(CC(C)(C)C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000804581667 1078639688 /nfs/dbraw/zinc/63/96/88/1078639688.db2.gz DPYIWFKOJURTPA-INIZCTEOSA-N 0 0 413.496 2.574 20 5 HFBDRN CON(CC(C)(C)C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000804581669 1078639753 /nfs/dbraw/zinc/63/97/53/1078639753.db2.gz DPYIWFKOJURTPA-MRXNPFEDSA-N 0 0 413.496 2.574 20 5 HFBDRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001129679822 1078643883 /nfs/dbraw/zinc/64/38/83/1078643883.db2.gz RPRNCXICBCYVHM-UHFFFAOYSA-N 0 0 421.378 2.793 20 5 HFBDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804790196 1078649008 /nfs/dbraw/zinc/64/90/08/1078649008.db2.gz BGQKWFHABOKGTO-ABAIWWIYSA-N 0 0 423.413 2.535 20 5 HFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCCc2c(cnn2C)C1 ZINC001129698319 1078657013 /nfs/dbraw/zinc/65/70/13/1078657013.db2.gz GGAAUPSQYHMXPB-UHFFFAOYSA-N 0 0 418.475 2.572 20 5 HFBDRN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813550 1078657740 /nfs/dbraw/zinc/65/77/40/1078657740.db2.gz RNPPLTPKKINEMR-VXGBXAGGSA-N 0 0 407.414 2.951 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000804814105 1078658120 /nfs/dbraw/zinc/65/81/20/1078658120.db2.gz OXJAOGVEODKJSE-CQSZACIVSA-N 0 0 407.301 2.573 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCOc2cc(O)ccc2C1 ZINC000804815842 1078658688 /nfs/dbraw/zinc/65/86/88/1078658688.db2.gz ZYGYKHJCPKCYDK-UHFFFAOYSA-N 0 0 400.359 2.696 20 5 HFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC1(c2ccccn2)CCC1 ZINC000804823396 1078662593 /nfs/dbraw/zinc/66/25/93/1078662593.db2.gz UZSPIRNYERZEPM-UHFFFAOYSA-N 0 0 406.464 2.706 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000747216083 1078666222 /nfs/dbraw/zinc/66/62/22/1078666222.db2.gz GOCYWSYDNVOIKK-INIZCTEOSA-N 0 0 423.466 2.828 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000747216148 1078667197 /nfs/dbraw/zinc/66/71/97/1078667197.db2.gz LVQWUGYZQMQLMU-UHFFFAOYSA-N 0 0 404.511 2.654 20 5 HFBDRN COc1ccc(CN2CCCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2=O)cc1 ZINC000804619820 1078669086 /nfs/dbraw/zinc/66/90/86/1078669086.db2.gz NERSLNCUYQRPID-UHFFFAOYSA-N 0 0 400.391 2.751 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000804880619 1078705092 /nfs/dbraw/zinc/70/50/92/1078705092.db2.gz JWDXGNZMWWPHTK-INIZCTEOSA-N 0 0 421.450 2.528 20 5 HFBDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000804880621 1078705097 /nfs/dbraw/zinc/70/50/97/1078705097.db2.gz JWDXGNZMWWPHTK-MRXNPFEDSA-N 0 0 421.450 2.528 20 5 HFBDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000804880407 1078705985 /nfs/dbraw/zinc/70/59/85/1078705985.db2.gz ILZBUQUJYJPTKA-MRXNPFEDSA-N 0 0 421.450 2.528 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000804633242 1078710618 /nfs/dbraw/zinc/71/06/18/1078710618.db2.gz LZQGFFAJRKQPNT-CABCVRRESA-N 0 0 423.491 2.583 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000804633141 1078712268 /nfs/dbraw/zinc/71/22/68/1078712268.db2.gz GVKBKIAZCPQCNF-OCCSQVGLSA-N 0 0 411.842 2.758 20 5 HFBDRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000804661079 1078730247 /nfs/dbraw/zinc/73/02/47/1078730247.db2.gz GSTJQYSSGRLWSF-KRWDZBQOSA-N 0 0 418.494 2.891 20 5 HFBDRN O=C(CCNC(=O)c1ccco1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001129747129 1078724018 /nfs/dbraw/zinc/72/40/18/1078724018.db2.gz MMEXKJLJJBRQHV-CQSZACIVSA-N 0 0 403.288 2.867 20 5 HFBDRN CC[C@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)S1(=O)=O ZINC000804855408 1078726234 /nfs/dbraw/zinc/72/62/34/1078726234.db2.gz RDPPDRZDJMVHNI-SCZZXKLOSA-N 0 0 411.358 2.924 20 5 HFBDRN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001129750136 1078729718 /nfs/dbraw/zinc/72/97/18/1078729718.db2.gz IIMGCSBMXFZZHQ-LJQANCHMSA-N 0 0 423.404 2.514 20 5 HFBDRN CCOC(=O)c1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3COC)CC2)s1 ZINC000747223988 1078733859 /nfs/dbraw/zinc/73/38/59/1078733859.db2.gz MYOIHMSXAZKOAL-UHFFFAOYSA-N 0 0 406.464 2.701 20 5 HFBDRN NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000804890720 1078748473 /nfs/dbraw/zinc/74/84/73/1078748473.db2.gz WQRXXOWOPKDLOO-AWEZNQCLSA-N 0 0 414.220 2.796 20 5 HFBDRN COC(=O)c1cc(Cl)cc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1O ZINC000804899442 1078755044 /nfs/dbraw/zinc/75/50/44/1078755044.db2.gz DSFSBACWDKOVLY-UHFFFAOYSA-N 0 0 408.750 2.570 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804931719 1078787525 /nfs/dbraw/zinc/78/75/25/1078787525.db2.gz ZQNUQUYKJROFKM-KBXCAEBGSA-N 0 0 418.450 2.604 20 5 HFBDRN COCCCONC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000805039279 1078857269 /nfs/dbraw/zinc/85/72/69/1078857269.db2.gz AUYJKNJAFSZMLH-UHFFFAOYSA-N 0 0 401.419 2.590 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747226088 1078860868 /nfs/dbraw/zinc/86/08/68/1078860868.db2.gz NZWQTEJBMNFYEZ-OAHLLOKOSA-N 0 0 400.309 2.722 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000805114618 1078899372 /nfs/dbraw/zinc/89/93/72/1078899372.db2.gz WNGZOYPUAJXJCW-HNNXBMFYSA-N 0 0 413.496 2.891 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000805108350 1078894194 /nfs/dbraw/zinc/89/41/94/1078894194.db2.gz GRJUPERMCLXITK-CYBMUJFWSA-N 0 0 419.887 2.880 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000805108372 1078894235 /nfs/dbraw/zinc/89/42/35/1078894235.db2.gz HCZMXQKCUAIMMK-ZDUSSCGKSA-N 0 0 419.887 2.880 20 5 HFBDRN CN(C)c1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000805074526 1078906587 /nfs/dbraw/zinc/90/65/87/1078906587.db2.gz KEICYQGDDODJAU-UHFFFAOYSA-N 0 0 402.226 2.586 20 5 HFBDRN Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000805122544 1078921240 /nfs/dbraw/zinc/92/12/40/1078921240.db2.gz ZZIIRIIXUSXZCZ-HNNXBMFYSA-N 0 0 404.366 2.934 20 5 HFBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](c3cccnc3)C2)cc1OC ZINC001130100400 1078951086 /nfs/dbraw/zinc/95/10/86/1078951086.db2.gz GLRLPDICHOXDGV-HNNXBMFYSA-N 0 0 401.419 2.653 20 5 HFBDRN O=C(N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000805273282 1079004569 /nfs/dbraw/zinc/00/45/69/1079004569.db2.gz KRVCMCFZLVSHDT-LLVKDONJSA-N 0 0 418.328 2.566 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000805335496 1079024785 /nfs/dbraw/zinc/02/47/85/1079024785.db2.gz OJEUXFPTRGZTPE-CYBMUJFWSA-N 0 0 406.435 2.511 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000805383544 1079034415 /nfs/dbraw/zinc/03/44/15/1079034415.db2.gz GHXFMSAWUBJAGM-UHFFFAOYSA-N 0 0 411.457 2.713 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000805415737 1079076706 /nfs/dbraw/zinc/07/67/06/1079076706.db2.gz RTAZTYWRQPXLQF-INIZCTEOSA-N 0 0 415.450 2.911 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000805416944 1079077309 /nfs/dbraw/zinc/07/73/09/1079077309.db2.gz JCNQMDKZYJMTLM-UHFFFAOYSA-N 0 0 404.400 2.715 20 5 HFBDRN COc1ccncc1COC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805570848 1079130069 /nfs/dbraw/zinc/13/00/69/1079130069.db2.gz SJXRLAPDQQFEJZ-UHFFFAOYSA-N 0 0 410.224 2.941 20 5 HFBDRN COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)c(S(C)(=O)=O)c1 ZINC001130250210 1079138546 /nfs/dbraw/zinc/13/85/46/1079138546.db2.gz KWHNLODTJHRMOP-CABCVRRESA-N 0 0 418.427 2.527 20 5 HFBDRN C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001130250306 1079139009 /nfs/dbraw/zinc/13/90/09/1079139009.db2.gz PTADBKQLIPPFLB-RHSMWYFYSA-N 0 0 419.478 2.826 20 5 HFBDRN O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001130263125 1079157008 /nfs/dbraw/zinc/15/70/08/1079157008.db2.gz FKTFUWSKMFYUHO-MFKMUULPSA-N 0 0 404.341 2.986 20 5 HFBDRN C[C@H](OC(=O)[C@](C)(O)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000805577541 1079159326 /nfs/dbraw/zinc/15/93/26/1079159326.db2.gz CSYUYFGEZJIZNB-XTZNXHDOSA-N 0 0 405.432 2.750 20 5 HFBDRN COc1cc(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001130274080 1079169028 /nfs/dbraw/zinc/16/90/28/1079169028.db2.gz XXILVVXYADIMSS-CQSZACIVSA-N 0 0 401.394 2.521 20 5 HFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](OC(=O)c1cn[nH]n1)c1ccccc1 ZINC000805609759 1079174051 /nfs/dbraw/zinc/17/40/51/1079174051.db2.gz VCVNKLIAONDODC-OAHLLOKOSA-N 0 0 401.766 2.903 20 5 HFBDRN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000805633981 1079187414 /nfs/dbraw/zinc/18/74/14/1079187414.db2.gz SWMCPBUXRXBFIG-UHFFFAOYSA-N 0 0 424.291 2.682 20 5 HFBDRN C[C@H](OC(=O)c1ccnc2c1ncn2C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000805673517 1079197842 /nfs/dbraw/zinc/19/78/42/1079197842.db2.gz BNSFFPVJFHWBNM-VIFPVBQESA-N 0 0 403.782 2.714 20 5 HFBDRN COC(OC)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 ZINC001130352829 1079238027 /nfs/dbraw/zinc/23/80/27/1079238027.db2.gz JUIRILBDBZMDKY-LJQANCHMSA-N 0 0 415.446 2.521 20 5 HFBDRN O=C(NCCC[C@@H]1CC1(Cl)Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001130377746 1079253675 /nfs/dbraw/zinc/25/36/75/1079253675.db2.gz VUZFUGJPWUEMIE-GHMZBOCLSA-N 0 0 404.250 2.883 20 5 HFBDRN COc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)cc1NC(C)=O ZINC000747281634 1079352753 /nfs/dbraw/zinc/35/27/53/1079352753.db2.gz GNKLVVIARZPFJH-UHFFFAOYSA-N 0 0 400.796 2.983 20 5 HFBDRN C[C@H](C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001130435634 1079354317 /nfs/dbraw/zinc/35/43/17/1079354317.db2.gz LTJYEINNYKNRHN-YBTHPKLGSA-N 0 0 414.393 2.873 20 5 HFBDRN C[S@](=O)c1ccc(CC(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)cc1 ZINC000805924379 1079356388 /nfs/dbraw/zinc/35/63/88/1079356388.db2.gz WSQGDBPGJOZHKS-JMGYQRAPSA-N 0 0 406.435 2.836 20 5 HFBDRN O=C(COCc1ccccn1)Oc1cc([N+](=O)[O-])ccc1I ZINC000805924953 1079357279 /nfs/dbraw/zinc/35/72/79/1079357279.db2.gz ZILAGZUWOZSXPS-UHFFFAOYSA-N 0 0 414.155 2.717 20 5 HFBDRN COC(=O)CCOc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000747278599 1079362680 /nfs/dbraw/zinc/36/26/80/1079362680.db2.gz CVUJBXSJEODCLA-UHFFFAOYSA-N 0 0 415.807 2.958 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)OCc2cccnc2Br)cc1[N+](=O)[O-] ZINC000805935115 1079363018 /nfs/dbraw/zinc/36/30/18/1079363018.db2.gz SFLXFQXHBKCCFF-UHFFFAOYSA-N 0 0 415.221 2.513 20 5 HFBDRN Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001130463787 1079366912 /nfs/dbraw/zinc/36/69/12/1079366912.db2.gz SWPSAQUQGXKRML-KRWDZBQOSA-N 0 0 417.429 2.623 20 5 HFBDRN O=C(OCc1cccc(Br)n1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000805986375 1079367286 /nfs/dbraw/zinc/36/72/86/1079367286.db2.gz PDEBAUVTLXOSQS-UHFFFAOYSA-N 0 0 404.180 2.690 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H](C1CC1)C1CCOCC1 ZINC001130457722 1079381078 /nfs/dbraw/zinc/38/10/78/1079381078.db2.gz AKUWOBSJWOFSKA-LJQANCHMSA-N 0 0 403.435 2.604 20 5 HFBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000747289782 1079388266 /nfs/dbraw/zinc/38/82/66/1079388266.db2.gz CAXMTIFPRPLVEO-JPQMIFPKSA-N 0 0 400.453 2.853 20 5 HFBDRN COc1ccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[nH]c2=O)cc1[N+](=O)[O-] ZINC000806018349 1079392835 /nfs/dbraw/zinc/39/28/35/1079392835.db2.gz CTQJCLFZTYUYGK-UHFFFAOYSA-N 0 0 410.386 2.869 20 5 HFBDRN Cn1cc(C(=O)OCc2cnnn2-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000806036162 1079409212 /nfs/dbraw/zinc/40/92/12/1079409212.db2.gz LGKBBENMAFQLNQ-UHFFFAOYSA-N 0 0 404.386 2.933 20 5 HFBDRN C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccccc1 ZINC001130505068 1079421912 /nfs/dbraw/zinc/42/19/12/1079421912.db2.gz ZNAOHAXIRQKEHI-AWEZNQCLSA-N 0 0 408.414 2.857 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-n3cncn3)cc2)c(C(F)(F)F)c1 ZINC000746671075 1076743199 /nfs/dbraw/zinc/74/31/99/1076743199.db2.gz VJFSBFWHZLOJJO-UHFFFAOYSA-N 0 0 414.321 2.962 20 5 HFBDRN O=C(NC1CCC(O)(c2ccccc2)CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787313915 1076758883 /nfs/dbraw/zinc/75/88/83/1076758883.db2.gz JAXODZUFWLJYDG-UHFFFAOYSA-N 0 0 413.478 2.968 20 5 HFBDRN Cn1c(C(=O)Nc2ccc(N3CCN(C)CC3)c(Br)c2)ccc1[N+](=O)[O-] ZINC000787390372 1076805695 /nfs/dbraw/zinc/80/56/95/1076805695.db2.gz QDWVHOAIQVVDMM-UHFFFAOYSA-N 0 0 422.283 2.700 20 5 HFBDRN CCOC(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000787400823 1076808163 /nfs/dbraw/zinc/80/81/63/1076808163.db2.gz LRBVYAVSKIHUJF-OAHLLOKOSA-N 0 0 421.450 2.901 20 5 HFBDRN COC(=O)[C@@]1(F)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])C1 ZINC000787408476 1076810296 /nfs/dbraw/zinc/81/02/96/1076810296.db2.gz NNDSNVDCSDNEPQ-HXUWFJFHSA-N 0 0 402.378 2.901 20 5 HFBDRN NC(=O)CCc1nnc(SCc2ccc([N+](=O)[O-])c(F)c2)n1Cc1ccco1 ZINC000787490661 1076824011 /nfs/dbraw/zinc/82/40/11/1076824011.db2.gz HJRUZZRBISBCKL-UHFFFAOYSA-N 0 0 405.411 2.677 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787501569 1076827481 /nfs/dbraw/zinc/82/74/81/1076827481.db2.gz IEXCXYSISTUGFI-SJORKVTESA-N 0 0 405.451 2.878 20 5 HFBDRN C[C@H]1[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCN1C(=O)OC(C)(C)C ZINC000787507145 1076829030 /nfs/dbraw/zinc/82/90/30/1076829030.db2.gz IJIQUVVGABMHKR-GUYCJALGSA-N 0 0 405.451 2.830 20 5 HFBDRN O=C(NCCCC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)OCc1ccccc1 ZINC000787507052 1076829065 /nfs/dbraw/zinc/82/90/65/1076829065.db2.gz AUFBHBYJIMMNNL-UHFFFAOYSA-N 0 0 413.430 2.891 20 5 HFBDRN CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000787509023 1076829937 /nfs/dbraw/zinc/82/99/37/1076829937.db2.gz VFEISBNEWQFUOQ-UHFFFAOYSA-N 0 0 410.835 2.555 20 5 HFBDRN C[NH+](C)CCCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000787599532 1076887601 /nfs/dbraw/zinc/88/76/01/1076887601.db2.gz SJZNHHVRDISQCN-UHFFFAOYSA-N 0 0 407.448 2.504 20 5 HFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787653585 1076899362 /nfs/dbraw/zinc/89/93/62/1076899362.db2.gz FZLAQDDZBPXEDU-HNNXBMFYSA-N 0 0 409.801 2.792 20 5 HFBDRN COC[C@H](NC(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC)c1ccc(Cl)cc1 ZINC000787659201 1076901485 /nfs/dbraw/zinc/90/14/85/1076901485.db2.gz RHMRNAPCNGTTRA-HNNXBMFYSA-N 0 0 422.821 2.952 20 5 HFBDRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000746703537 1076906574 /nfs/dbraw/zinc/90/65/74/1076906574.db2.gz JUEPURSMVOKHNG-CYBMUJFWSA-N 0 0 413.496 2.882 20 5 HFBDRN Cc1c(C(=O)OCc2ccc(F)c(Cl)c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000787707282 1076919833 /nfs/dbraw/zinc/91/98/33/1076919833.db2.gz CNQRTXOQZRYPHM-UHFFFAOYSA-N 0 0 402.787 2.700 20 5 HFBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCc1ccc(Br)c(Cl)c1 ZINC000787750917 1076926266 /nfs/dbraw/zinc/92/62/66/1076926266.db2.gz UEGDYNWCDJEVJI-UHFFFAOYSA-N 0 0 401.600 2.916 20 5 HFBDRN CCOc1cc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000787746258 1076939352 /nfs/dbraw/zinc/93/93/52/1076939352.db2.gz HFDSOCIPTRIBDQ-WLRWDXFRSA-N 0 0 418.402 2.583 20 5 HFBDRN CC[C@H]1COCCN1C(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787808602 1076940763 /nfs/dbraw/zinc/94/07/63/1076940763.db2.gz IYNZSDMOAOSHSZ-JTQLQIEISA-N 0 0 405.192 2.842 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000787791989 1076947409 /nfs/dbraw/zinc/94/74/09/1076947409.db2.gz RJNYPYFDSKNPDX-UHFFFAOYSA-N 0 0 415.450 2.659 20 5 HFBDRN O=C(OCCOCC(F)(F)C(F)(F)F)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000787794280 1076947838 /nfs/dbraw/zinc/94/78/38/1076947838.db2.gz PZLHTDYIENOGQR-UHFFFAOYSA-N 0 0 401.269 2.971 20 5 HFBDRN O=C(Cc1ccc(Br)c(Cl)c1)OCCn1cc([N+](=O)[O-])ccc1=O ZINC000787810793 1076951153 /nfs/dbraw/zinc/95/11/53/1076951153.db2.gz AQDXNWCHSJBMSV-UHFFFAOYSA-N 0 0 415.627 2.958 20 5 HFBDRN O=C(NCCCn1ccnc1)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787810477 1076966075 /nfs/dbraw/zinc/96/60/75/1076966075.db2.gz ZXULROHWZGPBFV-UHFFFAOYSA-N 0 0 415.191 2.608 20 5 HFBDRN CNC(=O)c1ccc(N2CCC23CCN(C(=O)OC(C)(C)C)CC3)c([N+](=O)[O-])c1 ZINC000787886642 1076977737 /nfs/dbraw/zinc/97/77/37/1076977737.db2.gz QNCSJFPWKNLTPT-UHFFFAOYSA-N 0 0 404.467 2.934 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000746716475 1077003274 /nfs/dbraw/zinc/00/32/74/1077003274.db2.gz QFUXGDKUYAAEKP-SNVBAGLBSA-N 0 0 407.301 2.837 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCN(C(=O)c2ccoc2)CC1 ZINC000746716473 1077003342 /nfs/dbraw/zinc/00/33/42/1077003342.db2.gz QAWIGVQTJGVEBH-UHFFFAOYSA-N 0 0 418.362 2.599 20 5 HFBDRN C[C@@H]1[C@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C ZINC000787995799 1077023082 /nfs/dbraw/zinc/02/30/82/1077023082.db2.gz OIUGRYYJCRLWDH-BXUZGUMPSA-N 0 0 416.438 2.964 20 5 HFBDRN Cc1cnc(Cl)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000787984099 1077032378 /nfs/dbraw/zinc/03/23/78/1077032378.db2.gz NHDNVFMTKVTSMI-HNNXBMFYSA-N 0 0 424.866 2.743 20 5 HFBDRN O=C(NOC[C@@H]1CCOC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000788115679 1077066461 /nfs/dbraw/zinc/06/64/61/1077066461.db2.gz JFSNFGPNCYWMAC-SECBINFHSA-N 0 0 401.206 2.785 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CC1CCC2(CC1)OCCO2 ZINC000788173608 1077074944 /nfs/dbraw/zinc/07/49/44/1077074944.db2.gz KWWKHHJSDRQUEP-CYBMUJFWSA-N 0 0 422.434 2.797 20 5 HFBDRN CC(C)(O)CONC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000788223770 1077082715 /nfs/dbraw/zinc/08/27/15/1077082715.db2.gz PYUJIIZUCWHDJA-UHFFFAOYSA-N 0 0 410.430 2.809 20 5 HFBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN(C)[C@@H](C)CN2CCOCC2)c1=S ZINC000788379955 1077135367 /nfs/dbraw/zinc/13/53/67/1077135367.db2.gz YVRKMDNPAWNTAL-HNNXBMFYSA-N 0 0 420.539 2.619 20 5 HFBDRN Cn1nccc1[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788386531 1077138937 /nfs/dbraw/zinc/13/89/37/1077138937.db2.gz LDXDCNQKZKVEJO-IBGZPJMESA-N 0 0 404.386 2.855 20 5 HFBDRN O=[N+]([O-])c1ccc([C@H](O)Cn2nnnc2Cc2ccc(Br)cc2)cc1 ZINC000788425083 1077141734 /nfs/dbraw/zinc/14/17/34/1077141734.db2.gz DTENVOJNRVUUIT-OAHLLOKOSA-N 0 0 404.224 2.668 20 5 HFBDRN O=[N+]([O-])c1ccc([C@@H](O)Cn2nnc(Cc3cccc(Br)c3)n2)cc1 ZINC000788427816 1077143135 /nfs/dbraw/zinc/14/31/35/1077143135.db2.gz HPICEALHQXGPPW-HNNXBMFYSA-N 0 0 404.224 2.668 20 5 HFBDRN CCN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2[nH]ccc2c1 ZINC000788550339 1077197451 /nfs/dbraw/zinc/19/74/51/1077197451.db2.gz JSYWUXSLXYDZSR-UHFFFAOYSA-N 0 0 416.459 2.798 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000788554954 1077199673 /nfs/dbraw/zinc/19/96/73/1077199673.db2.gz KRPHKLDJBALOJP-UHFFFAOYSA-N 0 0 400.800 2.647 20 5 HFBDRN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000788607336 1077221616 /nfs/dbraw/zinc/22/16/16/1077221616.db2.gz KZICEVZNVSPENX-QGZVFWFLSA-N 0 0 413.821 2.518 20 5 HFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1cc(F)cc(I)c1 ZINC000790923879 1077233430 /nfs/dbraw/zinc/23/34/30/1077233430.db2.gz OAEFQGIGNQGCHI-UHFFFAOYSA-N 0 0 424.147 2.501 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000790924563 1077233515 /nfs/dbraw/zinc/23/35/15/1077233515.db2.gz FAIRUKQTXHYMHL-UHFFFAOYSA-N 0 0 416.339 2.817 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2cc(F)ccc2OCCOC)ccc1[N+](=O)[O-] ZINC000790924391 1077233539 /nfs/dbraw/zinc/23/35/39/1077233539.db2.gz ATFXCLOMQZEQSU-UHFFFAOYSA-N 0 0 415.395 2.926 20 5 HFBDRN Cc1sc(S(=O)(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1[N+](=O)[O-] ZINC000790923880 1077233868 /nfs/dbraw/zinc/23/38/68/1077233868.db2.gz OCCYFPKRKPZABG-UHFFFAOYSA-N 0 0 401.441 2.731 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)ccc1[N+](=O)[O-] ZINC000790925065 1077234460 /nfs/dbraw/zinc/23/44/60/1077234460.db2.gz KPWBEVVTDILWRD-UHFFFAOYSA-N 0 0 408.388 2.689 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)ccc1[N+](=O)[O-] ZINC000790924898 1077234494 /nfs/dbraw/zinc/23/44/94/1077234494.db2.gz HEIXAGZGWVJJMW-UHFFFAOYSA-N 0 0 406.416 2.670 20 5 HFBDRN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000790926251 1077234994 /nfs/dbraw/zinc/23/49/94/1077234994.db2.gz IVKSUJCAKCUJFM-HIFRSBDPSA-N 0 0 406.863 2.744 20 5 HFBDRN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790908421 1077244515 /nfs/dbraw/zinc/24/45/15/1077244515.db2.gz OPYKFGVOHAHQKD-AWEZNQCLSA-N 0 0 403.863 2.604 20 5 HFBDRN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790908266 1077244833 /nfs/dbraw/zinc/24/48/33/1077244833.db2.gz MYVRHHBAYQSVKH-AWEZNQCLSA-N 0 0 403.863 2.700 20 5 HFBDRN CCCN([C@@H](COC)C(=O)OCC)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000790909787 1077245646 /nfs/dbraw/zinc/24/56/46/1077245646.db2.gz UKZHAZPQZFAQJG-ZDUSSCGKSA-N 0 0 422.887 2.535 20 5 HFBDRN COC(=O)COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000788674914 1077246001 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/nfs/dbraw/zinc/27/62/92/1077276292.db2.gz KNPMLCYZALXCKY-YLQAJVPDSA-N 0 0 401.369 2.898 20 5 HFBDRN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1=O ZINC000791121929 1077293507 /nfs/dbraw/zinc/29/35/07/1077293507.db2.gz WDOJYUGZTFVPGZ-IBGZPJMESA-N 0 0 414.443 2.811 20 5 HFBDRN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746981440 1077306006 /nfs/dbraw/zinc/30/60/06/1077306006.db2.gz FMIBIEXGXXOIBU-KRWDZBQOSA-N 0 0 403.345 2.695 20 5 HFBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)C1=O ZINC000791142414 1077306273 /nfs/dbraw/zinc/30/62/73/1077306273.db2.gz NINYNBKQBHYHRJ-LJQANCHMSA-N 0 0 414.443 2.811 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000746982163 1077308591 /nfs/dbraw/zinc/30/85/91/1077308591.db2.gz OENUIYYMGSJLSN-CYBMUJFWSA-N 0 0 407.310 2.583 20 5 HFBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)Cc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000791138035 1077318194 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CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000791286421 1077370663 /nfs/dbraw/zinc/37/06/63/1077370663.db2.gz ZMHGTNXLUHSBKR-JOZWUWCOSA-N 0 0 401.423 2.806 20 5 HFBDRN Cc1cccn2cc(CCNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000746776141 1077370931 /nfs/dbraw/zinc/37/09/31/1077370931.db2.gz PDBQYVZHUZYXQC-UHFFFAOYSA-N 0 0 408.462 2.625 20 5 HFBDRN Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)CC2)cc1 ZINC000791321417 1077373296 /nfs/dbraw/zinc/37/32/96/1077373296.db2.gz HHULJJYZDQKEPR-UHFFFAOYSA-N 0 0 414.437 2.707 20 5 HFBDRN C[C@H](CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccccc1 ZINC000788988420 1077374777 /nfs/dbraw/zinc/37/47/77/1077374777.db2.gz FKCYQQPRTRWAMX-CQSZACIVSA-N 0 0 412.398 2.729 20 5 HFBDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791333023 1077376886 /nfs/dbraw/zinc/37/68/86/1077376886.db2.gz IWPXRVRFXFIKPT-ZIAGYGMSSA-N 0 0 408.474 2.957 20 5 HFBDRN C[C@@H]1CN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)n2)C[C@H](C)O1 ZINC000791333569 1077377147 /nfs/dbraw/zinc/37/71/47/1077377147.db2.gz YEEHKLITJORKMM-AOOOYVTPSA-N 0 0 409.443 2.634 20 5 HFBDRN COCc1nc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)sc1C(=O)OC ZINC000791336990 1077377862 /nfs/dbraw/zinc/37/78/62/1077377862.db2.gz UBUZALDQEHSSDL-UHFFFAOYSA-N 0 0 401.347 2.715 20 5 HFBDRN CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2F)C1 ZINC000791376629 1077386758 /nfs/dbraw/zinc/38/67/58/1077386758.db2.gz OHGMTUFTUDPJTO-UHFFFAOYSA-N 0 0 419.413 2.862 20 5 HFBDRN COc1ccc(Cl)c(COC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000791356875 1077392367 /nfs/dbraw/zinc/39/23/67/1077392367.db2.gz ONVLCXRCJQWTKI-UHFFFAOYSA-N 0 0 407.810 2.799 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000789043791 1077392784 /nfs/dbraw/zinc/39/27/84/1077392784.db2.gz UENNNYXQHSXVEW-CYBMUJFWSA-N 0 0 413.217 2.755 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000791364516 1077394242 /nfs/dbraw/zinc/39/42/42/1077394242.db2.gz UHLMDFDMMLSDCZ-INIZCTEOSA-N 0 0 400.410 2.725 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000791386694 1077395857 /nfs/dbraw/zinc/39/58/57/1077395857.db2.gz KKTALKUOYBYHME-HNNXBMFYSA-N 0 0 415.421 2.914 20 5 HFBDRN CCS(=O)(=O)CCCCCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000789080602 1077399158 /nfs/dbraw/zinc/39/91/58/1077399158.db2.gz MTTJZOHQJOMXKC-UHFFFAOYSA-N 0 0 409.258 2.514 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)NC(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000747010663 1077399743 /nfs/dbraw/zinc/39/97/43/1077399743.db2.gz MNUQIYXWNMIMAZ-UHFFFAOYSA-N 0 0 401.375 2.671 20 5 HFBDRN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791417636 1077404077 /nfs/dbraw/zinc/40/40/77/1077404077.db2.gz HNDAGMHRXQMTGD-SECBINFHSA-N 0 0 411.263 2.865 20 5 HFBDRN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000747011242 1077404501 /nfs/dbraw/zinc/40/45/01/1077404501.db2.gz JRLYCINRTBUPRU-CYBMUJFWSA-N 0 0 406.435 2.504 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000747012253 1077408338 /nfs/dbraw/zinc/40/83/38/1077408338.db2.gz UKRPSMUMNHQCRW-UHFFFAOYSA-N 0 0 418.402 2.979 20 5 HFBDRN O=C(COC(=O)c1cnnn1-c1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000789106684 1077414625 /nfs/dbraw/zinc/41/46/25/1077414625.db2.gz CBVVLWGAGOTPHN-UHFFFAOYSA-N 0 0 419.756 2.764 20 5 HFBDRN CS(=O)(=O)CC[C@H](C(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000789107153 1077415829 /nfs/dbraw/zinc/41/58/29/1077415829.db2.gz FHFVCSWUXOJTCM-HNNXBMFYSA-N 0 0 418.427 2.998 20 5 HFBDRN Cc1ccc(CN2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2=O)cc1 ZINC000791482585 1077423503 /nfs/dbraw/zinc/42/35/03/1077423503.db2.gz NYFBNJRVITUZEH-MRXNPFEDSA-N 0 0 413.386 2.903 20 5 HFBDRN Cc1c(C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)nnn1CC1CCCC1 ZINC000789185566 1077429275 /nfs/dbraw/zinc/42/92/75/1077429275.db2.gz UZVLCBFFSUGHRV-UHFFFAOYSA-N 0 0 401.423 2.505 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1Br ZINC000789139868 1077429739 /nfs/dbraw/zinc/42/97/39/1077429739.db2.gz HODYWPDZBDABBG-QMMMGPOBSA-N 0 0 411.212 2.827 20 5 HFBDRN C[C@H](OC(=O)c1nc(Br)cs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000791466476 1077439834 /nfs/dbraw/zinc/43/98/34/1077439834.db2.gz BGGQPRIOBQTTJX-ZETCQYMHSA-N 0 0 400.210 2.998 20 5 HFBDRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)c1 ZINC000791472567 1077444937 /nfs/dbraw/zinc/44/49/37/1077444937.db2.gz KDJBEKQKHDAZRK-SFHVURJKSA-N 0 0 401.375 2.752 20 5 HFBDRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791518664 1077453309 /nfs/dbraw/zinc/45/33/09/1077453309.db2.gz BEVNMCNFAFBKGO-MFOYZWKCSA-N 0 0 410.346 2.539 20 5 HFBDRN C[C@H](OC(=O)c1ccc(O[C@@H]2CCOC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789192800 1077454320 /nfs/dbraw/zinc/45/43/20/1077454320.db2.gz 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1078001151 /nfs/dbraw/zinc/00/11/51/1078001151.db2.gz UVJCWKXINUDYSL-UHFFFAOYSA-N 0 0 409.395 2.664 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)CC[C@H]1CCCO1)CC2 ZINC000790364765 1078004233 /nfs/dbraw/zinc/00/42/33/1078004233.db2.gz AWAVJPNHHZZIJJ-LLVKDONJSA-N 0 0 419.297 2.614 20 5 HFBDRN CN(C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000790385352 1078011611 /nfs/dbraw/zinc/01/16/11/1078011611.db2.gz SCPPGKAMUXFVJF-JSGCOSHPSA-N 0 0 417.459 2.563 20 5 HFBDRN Cc1c(NC(=O)[C@H](C)OC(=O)c2cnc(OCC3CC3)cn2)cccc1[N+](=O)[O-] ZINC000792844879 1078013582 /nfs/dbraw/zinc/01/35/82/1078013582.db2.gz WYSNCBLUHDHGBW-LBPRGKRZSA-N 0 0 400.391 2.666 20 5 HFBDRN CCN(CC1CC1)S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790371368 1078017051 /nfs/dbraw/zinc/01/70/51/1078017051.db2.gz QXOKOQUOSSZUDK-UHFFFAOYSA-N 0 0 418.313 2.692 20 5 HFBDRN C[C@H](C(=O)Nc1ncccn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792900515 1078019432 /nfs/dbraw/zinc/01/94/32/1078019432.db2.gz 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CC(C)C(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000792979589 1078031399 /nfs/dbraw/zinc/03/13/99/1078031399.db2.gz FIVCEBOTEAYQNL-UHFFFAOYSA-N 0 0 418.494 2.548 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CCOCC3)CC2)cc1Br ZINC000790446120 1078034054 /nfs/dbraw/zinc/03/40/54/1078034054.db2.gz OAHDBCUPBDHWLD-UHFFFAOYSA-N 0 0 419.297 2.939 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790454729 1078036727 /nfs/dbraw/zinc/03/67/27/1078036727.db2.gz HMBMIBUQJMZQJU-CQSZACIVSA-N 0 0 401.441 2.555 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000790457898 1078037611 /nfs/dbraw/zinc/03/76/11/1078037611.db2.gz REHZCAPOEFLQNP-GFCCVEGCSA-N 0 0 404.872 2.515 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H](C3(C)OCCO3)C2)cc1[N+](=O)[O-] ZINC000793020020 1078039614 /nfs/dbraw/zinc/03/96/14/1078039614.db2.gz FSVSLYUIEXHRQI-AWEZNQCLSA-N 0 0 419.478 2.832 20 5 HFBDRN 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COC(=O)N1CCC(CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000806368208 1079654023 /nfs/dbraw/zinc/65/40/23/1079654023.db2.gz VHCLLJLQQBEKDU-UHFFFAOYSA-N 0 0 415.244 2.957 20 5 HFBDRN COC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(OC)c1 ZINC001130654016 1079758885 /nfs/dbraw/zinc/75/88/85/1079758885.db2.gz FUXDUYDRBZJPLX-LJQANCHMSA-N 0 0 415.446 2.558 20 5 HFBDRN CC[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)CO1 ZINC001130694621 1079879821 /nfs/dbraw/zinc/87/98/21/1079879821.db2.gz ORRLDQISHAJDGQ-DGCLKSJQSA-N 0 0 400.273 2.819 20 5 HFBDRN Cc1c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)cnn1-c1ccc(F)cc1 ZINC001130718968 1079940119 /nfs/dbraw/zinc/94/01/19/1079940119.db2.gz RRONJQVRLDTVRM-UHFFFAOYSA-N 0 0 411.349 2.775 20 5 HFBDRN COc1c(C(=O)Nc2ccc(S(C)(=O)=O)c3ccncc23)cccc1[N+](=O)[O-] ZINC001130733489 1079972608 /nfs/dbraw/zinc/97/26/08/1079972608.db2.gz RNWFRRQFRURWJI-UHFFFAOYSA-N 0 0 401.400 2.807 20 5 HFBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(C(=O)N2CCOCC2)cc1 ZINC001130761098 1080054745 /nfs/dbraw/zinc/05/47/45/1080054745.db2.gz FYDIGKKXGFAXAI-UHFFFAOYSA-N 0 0 406.398 2.868 20 5 HFBDRN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001130764486 1080057332 /nfs/dbraw/zinc/05/73/32/1080057332.db2.gz HVBJNXVZSDOVGO-INIZCTEOSA-N 0 0 405.838 2.866 20 5 HFBDRN C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806881411 1080079409 /nfs/dbraw/zinc/07/94/09/1080079409.db2.gz MYEWYVFQOXGUQI-HIFRSBDPSA-N 0 0 419.482 2.506 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1Br)N1CCn2c(CC3CC3)nnc2C1 ZINC001130773519 1080084027 /nfs/dbraw/zinc/08/40/27/1080084027.db2.gz LRPZDQUHXGPKML-UHFFFAOYSA-N 0 0 406.240 2.557 20 5 HFBDRN CCOc1cc(NC(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)ccc1[N+](=O)[O-] ZINC001130799262 1080186078 /nfs/dbraw/zinc/18/60/78/1080186078.db2.gz YUZJQWHJFUERTN-KRWDZBQOSA-N 0 0 414.397 2.850 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000807037954 1080227470 /nfs/dbraw/zinc/22/74/70/1080227470.db2.gz HPWMSJUSFWYLCK-LJQANCHMSA-N 0 0 410.474 2.970 20 5 HFBDRN COc1ccnc(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000807134868 1080336779 /nfs/dbraw/zinc/33/67/79/1080336779.db2.gz HTTUTCGVHYLLSZ-UHFFFAOYSA-N 0 0 409.240 2.514 20 5 HFBDRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001130872571 1080347394 /nfs/dbraw/zinc/34/73/94/1080347394.db2.gz ZTZRKEITHFDPEJ-ZWKOTPCHSA-N 0 0 404.444 2.760 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000807182610 1080376315 /nfs/dbraw/zinc/37/63/15/1080376315.db2.gz FDAOTSOCWMFGHI-AWEZNQCLSA-N 0 0 418.454 2.671 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807297870 1080492853 /nfs/dbraw/zinc/49/28/53/1080492853.db2.gz NPMYSRHXRJBSNK-UHFFFAOYSA-N 0 0 406.782 2.796 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@@H](OC1CCCC1)C(F)(F)F ZINC001130915537 1080537647 /nfs/dbraw/zinc/53/76/47/1080537647.db2.gz 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/nfs/dbraw/zinc/16/69/55/1078166955.db2.gz VSGYBGTZDBFAEB-UHFFFAOYSA-N 0 0 413.496 2.937 20 5 HFBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1cccc(-c2nccs2)c1 ZINC000790876954 1078168823 /nfs/dbraw/zinc/16/88/23/1078168823.db2.gz OSJNWZJZISFKDN-UHFFFAOYSA-N 0 0 409.379 2.920 20 5 HFBDRN CCOC(=O)N1CCC[C@H]([C@@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000790876386 1078168838 /nfs/dbraw/zinc/16/88/38/1078168838.db2.gz XZHPPBQJDVIIEY-CABCVRRESA-N 0 0 413.496 2.747 20 5 HFBDRN CC(C)(C)c1cnc(COC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)s1 ZINC000790891898 1078173795 /nfs/dbraw/zinc/17/37/95/1078173795.db2.gz PBWRKRPZKQUIDP-UHFFFAOYSA-N 0 0 405.432 2.818 20 5 HFBDRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000790897535 1078176412 /nfs/dbraw/zinc/17/64/12/1078176412.db2.gz BAVQHJSJZDZWLU-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN CCc1nnc(C2CCN(S(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3Cl)CC2)[nH]1 ZINC000790919233 1078183469 /nfs/dbraw/zinc/18/34/69/1078183469.db2.gz AULPOWJGJFOLGG-UHFFFAOYSA-N 0 0 413.887 2.805 20 5 HFBDRN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000793768067 1078283295 /nfs/dbraw/zinc/28/32/95/1078283295.db2.gz GCEOWJGEQOOPOI-INIZCTEOSA-N 0 0 411.458 2.978 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCc1noc(-c2cccc(F)c2)n1 ZINC000793853319 1078324114 /nfs/dbraw/zinc/32/41/14/1078324114.db2.gz OZVRUCFDTBHUCB-UHFFFAOYSA-N 0 0 415.337 2.941 20 5 HFBDRN Cc1c(C(=O)NCc2noc(-c3cccc(F)c3)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000793855777 1078325039 /nfs/dbraw/zinc/32/50/39/1078325039.db2.gz OYSUYAIVTOLTPJ-UHFFFAOYSA-N 0 0 401.310 2.931 20 5 HFBDRN COc1ccc(C[C@@](C)(O)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC000793905259 1078333834 /nfs/dbraw/zinc/33/38/34/1078333834.db2.gz DRFOANSSTVGXPG-LJQANCHMSA-N 0 0 408.838 2.989 20 5 HFBDRN Cc1cc(=O)c(C(=O)OCCN(C)c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000747173440 1078368599 /nfs/dbraw/zinc/36/85/99/1078368599.db2.gz WNSOOFYDKVXUGG-UHFFFAOYSA-N 0 0 408.414 2.742 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000794222527 1078386625 /nfs/dbraw/zinc/38/66/25/1078386625.db2.gz OGVGVESOPQXJLF-RBUKOAKNSA-N 0 0 402.414 2.803 20 5 HFBDRN CC(C)(NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000794408661 1078428808 /nfs/dbraw/zinc/42/88/08/1078428808.db2.gz OOYKOTNXHLZOFP-UHFFFAOYSA-N 0 0 416.400 2.933 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)NC(C)(C)C(=O)N3CCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000794399943 1078436031 /nfs/dbraw/zinc/43/60/31/1078436031.db2.gz CCKDFKZIHAUOIQ-UHFFFAOYSA-N 0 0 413.478 2.587 20 5 HFBDRN Cc1ccc(C2(CNC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 ZINC001129399238 1078439286 /nfs/dbraw/zinc/43/92/86/1078439286.db2.gz SULMYOPASFTKCG-UHFFFAOYSA-N 0 0 409.442 2.785 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC001129420480 1078449211 /nfs/dbraw/zinc/44/92/11/1078449211.db2.gz VMFJNBXUKDWHAX-OAHLLOKOSA-N 0 0 403.341 2.975 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000804394354 1078450654 /nfs/dbraw/zinc/45/06/54/1078450654.db2.gz GRKSMOYULNIBHY-CYBMUJFWSA-N 0 0 401.297 2.821 20 5 HFBDRN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000804387082 1078445693 /nfs/dbraw/zinc/44/56/93/1078445693.db2.gz NYJDLPZZLPYAOU-MRXNPFEDSA-N 0 0 415.494 2.605 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1cccc(OCCN2CCOCC2)c1 ZINC000804378183 1078453700 /nfs/dbraw/zinc/45/37/00/1078453700.db2.gz FLFACVLVTXJGQQ-UHFFFAOYSA-N 0 0 402.407 2.826 20 5 HFBDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000804452158 1078488741 /nfs/dbraw/zinc/48/87/41/1078488741.db2.gz CJPZXYGXCUUNTD-CHWSQXEVSA-N 0 0 419.482 2.619 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C ZINC000747204802 1078494355 /nfs/dbraw/zinc/49/43/55/1078494355.db2.gz LPICDNHFTPTIPI-CQSZACIVSA-N 0 0 412.446 2.941 20 5 HFBDRN COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001129504420 1078497893 /nfs/dbraw/zinc/49/78/93/1078497893.db2.gz IMAUZVGYFCHBIG-UHFFFAOYSA-N 0 0 415.494 2.834 20 5 HFBDRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)[C@@H]2C1 ZINC001129804828 1078501366 /nfs/dbraw/zinc/50/13/66/1078501366.db2.gz NRPJHFBDPXEKMI-SWLSCSKDSA-N 0 0 419.434 2.795 20 5 HFBDRN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440381 1078504447 /nfs/dbraw/zinc/50/44/47/1078504447.db2.gz XHLCEIYPKREASH-SJLPKXTDSA-N 0 0 402.495 2.520 20 5 HFBDRN Cc1ccc(N2CCC[C@H](N3CCCS3(=O)=O)C2)c([N+](=O)[O-])c1Br ZINC000804673564 1078509153 /nfs/dbraw/zinc/50/91/53/1078509153.db2.gz HAIMIAVZKAUUMR-LBPRGKRZSA-N 0 0 418.313 2.670 20 5 HFBDRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000804676175 1078513532 /nfs/dbraw/zinc/51/35/32/1078513532.db2.gz VIVZVDOWRZNWNB-CQSZACIVSA-N 0 0 407.423 2.797 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)n1 ZINC000804691127 1078531046 /nfs/dbraw/zinc/53/10/46/1078531046.db2.gz PHGGOFGDVIZHBJ-CYBMUJFWSA-N 0 0 408.455 2.908 20 5 HFBDRN CC(C)(C)OC(=O)NC[C@]1(C)CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000804693334 1078532718 /nfs/dbraw/zinc/53/27/18/1078532718.db2.gz DSDCLWYFYIBHFA-IBGZPJMESA-N 0 0 403.439 2.985 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)c1[N+](=O)[O-] ZINC000804693364 1078532762 /nfs/dbraw/zinc/53/27/62/1078532762.db2.gz FJOOSVVDORBYNN-LBPRGKRZSA-N 0 0 418.381 2.838 20 5 HFBDRN Cc1ccc(N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804693832 1078534745 /nfs/dbraw/zinc/53/47/45/1078534745.db2.gz ZPAPRXLPFUROEY-GHMZBOCLSA-N 0 0 406.302 2.796 20 5 HFBDRN CCc1nn(C)c(NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)c1[N+](=O)[O-] ZINC000804701361 1078543227 /nfs/dbraw/zinc/54/32/27/1078543227.db2.gz RKNSKXIQEWKYSD-HXUWFJFHSA-N 0 0 412.450 2.728 20 5 HFBDRN O=C(Cn1ncc2ccccc2c1=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001129879669 1078552112 /nfs/dbraw/zinc/55/21/12/1078552112.db2.gz OCSFGFWDPPCFKE-MRXNPFEDSA-N 0 0 424.310 2.864 20 5 HFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001129882518 1078554227 /nfs/dbraw/zinc/55/42/27/1078554227.db2.gz KSUPRSJRWLPTJA-ZDUSSCGKSA-N 0 0 405.264 2.567 20 5 HFBDRN COC(=O)c1ccnc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC001129883143 1078554719 /nfs/dbraw/zinc/55/47/19/1078554719.db2.gz XXPNQXMXNXZCCM-CYBMUJFWSA-N 0 0 401.272 2.949 20 5 HFBDRN COc1ccccc1O[C@@H]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000804715508 1078556024 /nfs/dbraw/zinc/55/60/24/1078556024.db2.gz SMPHQTBWXYNWEH-MRXNPFEDSA-N 0 0 414.414 2.865 20 5 HFBDRN COC(=O)c1c2c(sc1NC(=O)CN(C)c1ccccc1[N+](=O)[O-])COCC2 ZINC001129886785 1078557720 /nfs/dbraw/zinc/55/77/20/1078557720.db2.gz BPTZPHAOJQCXAB-UHFFFAOYSA-N 0 0 405.432 2.591 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000804521641 1078562201 /nfs/dbraw/zinc/56/22/01/1078562201.db2.gz QPVQKKHNPSHTOC-UHFFFAOYSA-N 0 0 402.363 2.732 20 5 HFBDRN CN(Cc1cc(Br)cn1C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804547646 1078574721 /nfs/dbraw/zinc/57/47/21/1078574721.db2.gz KGVRXSWAYBWVDO-UHFFFAOYSA-N 0 0 408.256 2.523 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000804552376 1078577738 /nfs/dbraw/zinc/57/77/38/1078577738.db2.gz MSSMACWJAYBEPK-HNNXBMFYSA-N 0 0 405.329 2.742 20 5 HFBDRN O=C(c1c(C(F)(F)F)nc2ccccn21)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129611188 1078581861 /nfs/dbraw/zinc/58/18/61/1078581861.db2.gz YGIBANACJZXVHE-UHFFFAOYSA-N 0 0 420.351 2.619 20 5 HFBDRN COc1cc(C(=O)N2CCC[C@@H]3COC[C@@H]32)c([N+](=O)[O-])cc1OCc1cscn1 ZINC001129592874 1078587540 /nfs/dbraw/zinc/58/75/40/1078587540.db2.gz JBDDFKWEHRJBEO-WBMJQRKESA-N 0 0 419.459 2.890 20 5 HFBDRN CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000804777902 1078604161 /nfs/dbraw/zinc/60/41/61/1078604161.db2.gz MVZXKDNKOWAJTA-UHFFFAOYSA-N 0 0 412.899 2.824 20 5 HFBDRN COc1cc(C(=O)N2CCCc3cccc(S(C)(=O)=O)c32)c([N+](=O)[O-])cc1F ZINC001129661126 1078622127 /nfs/dbraw/zinc/62/21/27/1078622127.db2.gz GPJPJHLXBZVGCI-UHFFFAOYSA-N 0 0 408.407 2.739 20 5 HFBDRN COC(=O)[C@H](CC(C)C)NC(=O)CNc1ccc(C)c(Br)c1[N+](=O)[O-] ZINC000804590475 1078624457 /nfs/dbraw/zinc/62/44/57/1078624457.db2.gz WPOMSMHZEUTCHK-LBPRGKRZSA-N 0 0 416.272 2.782 20 5 HFBDRN CCN(CC)C(=O)[C@H](Cc1ccccc1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000804580277 1078637626 /nfs/dbraw/zinc/63/76/26/1078637626.db2.gz YGAGLCAGDLDIGJ-KRWDZBQOSA-N 0 0 414.462 2.976 20 5 HFBDRN COC[C@@]1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCCN1C(=O)OC(C)(C)C ZINC000804789577 1078644853 /nfs/dbraw/zinc/64/48/53/1078644853.db2.gz LKXHISOGMLJFDV-FQEVSTJZSA-N 0 0 422.482 2.631 20 5 HFBDRN Cc1nn(CCC(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000804843858 1078650899 /nfs/dbraw/zinc/65/08/99/1078650899.db2.gz DNQXNTJENHBEQZ-SUYBPPKGSA-N 0 0 423.514 2.948 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000804847519 1078654776 /nfs/dbraw/zinc/65/47/76/1078654776.db2.gz BOIHHXKOXSSYGP-GDZNZVCISA-N 0 0 409.487 2.640 20 5 HFBDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000804810951 1078655733 /nfs/dbraw/zinc/65/57/33/1078655733.db2.gz MORGUPDYYAMEJV-CMPLNLGQSA-N 0 0 406.302 2.877 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)n1 ZINC000804611953 1078660643 /nfs/dbraw/zinc/66/06/43/1078660643.db2.gz HJKADQBLTWXENF-MELADBBJSA-N 0 0 420.466 2.906 20 5 HFBDRN COc1ccccc1CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000760849488 1078660786 /nfs/dbraw/zinc/66/07/86/1078660786.db2.gz RHXGAYASYIGBKL-UHFFFAOYSA-N 0 0 401.238 2.844 20 5 HFBDRN Cc1ccc(NC[C@@H]2CCCCN2S(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804822601 1078662022 /nfs/dbraw/zinc/66/20/22/1078662022.db2.gz ZTXDTCPWDKJMSP-NSHDSACASA-N 0 0 406.302 2.892 20 5 HFBDRN Cc1ccc(NC[C@H]2CCCCN2S(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804822600 1078662056 /nfs/dbraw/zinc/66/20/56/1078662056.db2.gz ZTXDTCPWDKJMSP-LLVKDONJSA-N 0 0 406.302 2.892 20 5 HFBDRN CCN1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3COC)CC2)CC1 ZINC000747217977 1078671345 /nfs/dbraw/zinc/67/13/45/1078671345.db2.gz MLMADJWHELLZAY-UHFFFAOYSA-N 0 0 404.511 2.512 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC(O)(c3c(F)cccc3F)CC2)c1[N+](=O)[O-] ZINC000804624064 1078674906 /nfs/dbraw/zinc/67/49/06/1078674906.db2.gz IESXKBPYTDRSDL-UHFFFAOYSA-N 0 0 407.373 2.851 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000804834314 1078675328 /nfs/dbraw/zinc/67/53/28/1078675328.db2.gz FXBCAQMRBCYYBD-HNNXBMFYSA-N 0 0 421.454 2.634 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000747218051 1078675928 /nfs/dbraw/zinc/67/59/28/1078675928.db2.gz QOTQCHLAVXUVRV-AEFFLSMTSA-N 0 0 404.511 2.558 20 5 HFBDRN CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001129758946 1078702945 /nfs/dbraw/zinc/70/29/45/1078702945.db2.gz YASMFFJIWBNQDT-UHFFFAOYSA-N 0 0 413.249 2.691 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000804650453 1078708464 /nfs/dbraw/zinc/70/84/64/1078708464.db2.gz MDFKBBGNZOKPGM-UHFFFAOYSA-N 0 0 410.352 2.829 20 5 HFBDRN NC(=O)c1ccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)nc1Cl ZINC001129746770 1078723483 /nfs/dbraw/zinc/72/34/83/1078723483.db2.gz ICEVYHPYFQFFTF-NSHDSACASA-N 0 0 420.706 2.915 20 5 HFBDRN O=C(Cc1ccc(-n2cnnn2)cc1)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001129746544 1078723530 /nfs/dbraw/zinc/72/35/30/1078723530.db2.gz FMDQRBZJCQMGIS-MRXNPFEDSA-N 0 0 424.314 2.672 20 5 HFBDRN C[C@H]1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804938680 1078763644 /nfs/dbraw/zinc/76/36/44/1078763644.db2.gz TYUXQJQVCZXKJQ-MJVIPROJSA-N 0 0 402.373 2.582 20 5 HFBDRN CCOC(=O)c1cnc(N2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)s1 ZINC000747223890 1078769367 /nfs/dbraw/zinc/76/93/67/1078769367.db2.gz JGZJMOJXUUQRIJ-UHFFFAOYSA-N 0 0 410.427 2.702 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804931721 1078787538 /nfs/dbraw/zinc/78/75/38/1078787538.db2.gz ZQNUQUYKJROFKM-KSSFIOAISA-N 0 0 418.450 2.604 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804926685 1078782704 /nfs/dbraw/zinc/78/27/04/1078782704.db2.gz NMGWVAMKQGDHAE-MRXNPFEDSA-N 0 0 422.438 2.951 20 5 HFBDRN CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC001130025784 1078796504 /nfs/dbraw/zinc/79/65/04/1078796504.db2.gz WTJCNTOBJCSNFD-IBGZPJMESA-N 0 0 409.442 2.839 20 5 HFBDRN Cc1ccc(N2CCN(C(=O)C(=O)NCCCCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000805032383 1078827254 /nfs/dbraw/zinc/82/72/54/1078827254.db2.gz ZJFWSXNYBYAPBP-UHFFFAOYSA-N 0 0 424.501 2.691 20 5 HFBDRN CN(C)c1ccc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])cn1 ZINC000805041591 1078858471 /nfs/dbraw/zinc/85/84/71/1078858471.db2.gz HTXGCIVZAVOKPY-UHFFFAOYSA-N 0 0 402.226 2.586 20 5 HFBDRN COCCCONC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000805037683 1078883386 /nfs/dbraw/zinc/88/33/86/1078883386.db2.gz VCHRKQMJBNCDJQ-UHFFFAOYSA-N 0 0 405.373 2.914 20 5 HFBDRN COC(=O)c1ccsc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000747229062 1078886437 /nfs/dbraw/zinc/88/64/37/1078886437.db2.gz YPUHLJXIUNIUQO-GFCCVEGCSA-N 0 0 406.376 2.569 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000805107272 1078892804 /nfs/dbraw/zinc/89/28/04/1078892804.db2.gz RQVVJJQWXPIAJC-OAHLLOKOSA-N 0 0 413.496 2.843 20 5 HFBDRN O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000805121927 1078904440 /nfs/dbraw/zinc/90/44/40/1078904440.db2.gz WDHFZAFTMIFJJZ-MRXNPFEDSA-N 0 0 418.393 2.809 20 5 HFBDRN COC(=O)c1c2c(sc1NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)COCC2 ZINC001130079960 1078920545 /nfs/dbraw/zinc/92/05/45/1078920545.db2.gz HZGKNVOSJFYDPN-UHFFFAOYSA-N 0 0 406.416 2.842 20 5 HFBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805122381 1078921601 /nfs/dbraw/zinc/92/16/01/1078921601.db2.gz VPAPTEDBHVSYEV-LBPRGKRZSA-N 0 0 408.329 2.765 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1-n1cnnn1)N1CCc2c1cccc2Br ZINC001130110447 1078966560 /nfs/dbraw/zinc/96/65/60/1078966560.db2.gz HYJQUOZMFDSYPT-UHFFFAOYSA-N 0 0 415.207 2.536 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)cc2c1OCC(=O)N2 ZINC000805236058 1078977917 /nfs/dbraw/zinc/97/79/17/1078977917.db2.gz LOMLZOXTOUQCOV-UHFFFAOYSA-N 0 0 401.766 2.568 20 5 HFBDRN CCOc1cc(N2CCC(OC(=O)c3ccc(C(N)=O)o3)CC2)ccc1[N+](=O)[O-] ZINC000747234213 1078988172 /nfs/dbraw/zinc/98/81/72/1078988172.db2.gz YEGJRASXYIWDII-UHFFFAOYSA-N 0 0 403.391 2.511 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000805285680 1079010749 /nfs/dbraw/zinc/01/07/49/1079010749.db2.gz ICZAIKMOKBINKN-SFHVURJKSA-N 0 0 415.450 2.864 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Nc2ncccn2)C1 ZINC001130141489 1079012093 /nfs/dbraw/zinc/01/20/93/1079012093.db2.gz YQLKDJPQIRKQMG-NSHDSACASA-N 0 0 406.240 2.782 20 5 HFBDRN COc1ccc(C(=O)NCC(=O)O[C@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000805332268 1079022109 /nfs/dbraw/zinc/02/21/09/1079022109.db2.gz PGLUTNTVQHHUAK-CQSZACIVSA-N 0 0 424.413 2.823 20 5 HFBDRN CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](C)S1(=O)=O ZINC000805397087 1079038592 /nfs/dbraw/zinc/03/85/92/1079038592.db2.gz OWHYWSPWABDJLS-SCZZXKLOSA-N 0 0 423.260 2.534 20 5 HFBDRN COc1nc(C)cc(C)c1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000805362804 1079047249 /nfs/dbraw/zinc/04/72/49/1079047249.db2.gz OSYKDIXXADQIFQ-UHFFFAOYSA-N 0 0 401.419 2.809 20 5 HFBDRN CCNc1ccc(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)cc1[N+](=O)[O-] ZINC001130225640 1079109141 /nfs/dbraw/zinc/10/91/41/1079109141.db2.gz CSCUHRCKMQMQQD-FQEVSTJZSA-N 0 0 411.418 2.676 20 5 HFBDRN C[C@@H](C(=O)OCCOc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000805530075 1079121203 /nfs/dbraw/zinc/12/12/03/1079121203.db2.gz BKHJFBBKQMCKAS-GFCCVEGCSA-N 0 0 411.407 2.863 20 5 HFBDRN Cc1noc([C@@H](C)N(C)C(=O)c2ccc([N+](=O)[O-])cc2I)n1 ZINC001130245017 1079132222 /nfs/dbraw/zinc/13/22/22/1079132222.db2.gz NVXJZOZNTZMWEN-SSDOTTSWSA-N 0 0 416.175 2.724 20 5 HFBDRN COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)c(S(C)(=O)=O)c1 ZINC001130250213 1079138495 /nfs/dbraw/zinc/13/84/95/1079138495.db2.gz KWHNLODTJHRMOP-LSDHHAIUSA-N 0 0 418.427 2.527 20 5 HFBDRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 ZINC001130275775 1079170787 /nfs/dbraw/zinc/17/07/87/1079170787.db2.gz SIKBZZFSLRWVAZ-UHFFFAOYSA-N 0 0 422.363 2.731 20 5 HFBDRN CC(C)(C)OC(=O)CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1 ZINC001130314399 1079208898 /nfs/dbraw/zinc/20/88/98/1079208898.db2.gz BCHHXKZMGXQCRG-QGZVFWFLSA-N 0 0 403.435 2.811 20 5 HFBDRN O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001130316873 1079210937 /nfs/dbraw/zinc/21/09/37/1079210937.db2.gz BPMARVWYCXEPIF-SOVGHPHASA-N 0 0 405.426 2.551 20 5 HFBDRN C[C@H](OC(=O)c1ncsc1Br)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000805709376 1079213139 /nfs/dbraw/zinc/21/31/39/1079213139.db2.gz JIZWDOASCDEXEK-ZETCQYMHSA-N 0 0 400.210 2.998 20 5 HFBDRN C[C@@H](OC(=O)CO[C@@H](C)c1nccn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000805686758 1079218772 /nfs/dbraw/zinc/21/87/72/1079218772.db2.gz OAWLIOKZUSZEPE-WDEREUQCSA-N 0 0 410.814 2.630 20 5 HFBDRN CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001130359696 1079229728 /nfs/dbraw/zinc/22/97/28/1079229728.db2.gz GNMJMGCVEBHZJD-UHFFFAOYSA-N 0 0 401.423 2.515 20 5 HFBDRN O=C(OCc1cccnc1Br)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000805934008 1079362210 /nfs/dbraw/zinc/36/22/10/1079362210.db2.gz DQHZEIDREWHQIH-NSHDSACASA-N 0 0 424.207 2.693 20 5 HFBDRN O=C(OCc1conc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000805994600 1079395382 /nfs/dbraw/zinc/39/53/82/1079395382.db2.gz YUYVMGBPQBCJLD-UHFFFAOYSA-N 0 0 401.297 2.795 20 5 HFBDRN Cc1nc(-c2ccccn2)[nH]c(=O)c1CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000806019285 1079393757 /nfs/dbraw/zinc/39/37/57/1079393757.db2.gz SNXYHFFGOKPGNU-UHFFFAOYSA-N 0 0 424.369 2.589 20 5 HFBDRN C[C@H](C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C)c1ccc([N+](=O)[O-])cc1F ZINC001130493257 1079402889 /nfs/dbraw/zinc/40/28/89/1079402889.db2.gz UMRFXABQERWMQQ-MEDUHNTESA-N 0 0 406.414 2.770 20 5 HFBDRN C[C@@H](C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C)c1ccc([N+](=O)[O-])cc1F ZINC001130493255 1079402909 /nfs/dbraw/zinc/40/29/09/1079402909.db2.gz UMRFXABQERWMQQ-BDJLRTHQSA-N 0 0 406.414 2.770 20 5 HFBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCc1cnc2c(F)cccc2c1 ZINC000806080054 1079416225 /nfs/dbraw/zinc/41/62/25/1079416225.db2.gz LBXRTKXXHPOJIR-UHFFFAOYSA-N 0 0 411.345 2.751 20 5 HFBDRN CCOc1cc(NC(=O)N2CC(OC(=O)NC(C)C)C2)c([N+](=O)[O-])cc1OCC ZINC000806175322 1079464431 /nfs/dbraw/zinc/46/44/31/1079464431.db2.gz ZLXWGEVXTOTLRF-UHFFFAOYSA-N 0 0 410.427 2.743 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)c2sc(Br)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC001130528694 1079465001 /nfs/dbraw/zinc/46/50/01/1079465001.db2.gz FGTIIDDAGMIVAF-DTWKUNHWSA-N 0 0 403.254 2.690 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001130529527 1079465846 /nfs/dbraw/zinc/46/58/46/1079465846.db2.gz VLVWMJURGOYYFP-HIFRSBDPSA-N 0 0 409.487 2.642 20 5 HFBDRN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)c(Br)c1 ZINC000787318681 1076761495 /nfs/dbraw/zinc/76/14/95/1076761495.db2.gz HICVLKIIESTJIU-UHFFFAOYSA-N 0 0 408.208 2.656 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCC(C2OCCO2)CC1 ZINC000787340602 1076785039 /nfs/dbraw/zinc/78/50/39/1076785039.db2.gz IOXQUGMNMHIUDH-UHFFFAOYSA-N 0 0 403.357 2.908 20 5 HFBDRN Cc1cnc(Cl)c(NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000787456727 1076818198 /nfs/dbraw/zinc/81/81/98/1076818198.db2.gz BNPGOKPBQKEMNS-UHFFFAOYSA-N 0 0 403.826 2.942 20 5 HFBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787501563 1076827484 /nfs/dbraw/zinc/82/74/84/1076827484.db2.gz IEXCXYSISTUGFI-DLBZAZTESA-N 0 0 405.451 2.878 20 5 HFBDRN Cc1c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000787504278 1076828082 /nfs/dbraw/zinc/82/80/82/1076828082.db2.gz YCBJXTIXVRZILS-UHFFFAOYSA-N 0 0 402.319 2.623 20 5 HFBDRN O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787503912 1076828341 /nfs/dbraw/zinc/82/83/41/1076828341.db2.gz VMKLUONGLCFOEL-SFHVURJKSA-N 0 0 414.439 2.906 20 5 HFBDRN Cc1ccc([C@](O)(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C(F)(F)F)o1 ZINC000787507640 1076829746 /nfs/dbraw/zinc/82/97/46/1076829746.db2.gz JRCFBNLMSJRFTI-QGZVFWFLSA-N 0 0 414.336 2.926 20 5 HFBDRN Cc1cc(=O)oc2cc(OCC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)ccc12 ZINC000787510542 1076830699 /nfs/dbraw/zinc/83/06/99/1076830699.db2.gz WTHSKSPQPZUUFH-UHFFFAOYSA-N 0 0 410.382 2.678 20 5 HFBDRN Cc1c(C(=O)NCc2ccc(S(C)(=O)=O)s2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000787538321 1076852894 /nfs/dbraw/zinc/85/28/94/1076852894.db2.gz XJIZLXQHUHDVEU-UHFFFAOYSA-N 0 0 413.433 2.515 20 5 HFBDRN Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000787517369 1076860831 /nfs/dbraw/zinc/86/08/31/1076860831.db2.gz ZTYQMYNHZAZCSR-UHFFFAOYSA-N 0 0 419.850 2.965 20 5 HFBDRN COc1cc(COC(=O)C(=O)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000787564041 1076865700 /nfs/dbraw/zinc/86/57/00/1076865700.db2.gz ZKSMCLQGLHDMFS-UHFFFAOYSA-N 0 0 402.350 2.507 20 5 HFBDRN O=C(COc1cccc([N+](=O)[O-])c1)O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787635364 1076885748 /nfs/dbraw/zinc/88/57/48/1076885748.db2.gz XZKKYUMUUFPFKT-GOSISDBHSA-N 0 0 420.368 2.986 20 5 HFBDRN O=C(CN(Cc1ccccc1)[C@]1(CO)CCOC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787677387 1076890845 /nfs/dbraw/zinc/89/08/45/1076890845.db2.gz 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CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000789428749 1077557544 /nfs/dbraw/zinc/55/75/44/1077557544.db2.gz QVSQNAFACNKKQY-SJORKVTESA-N 0 0 417.462 2.974 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000789438341 1077573085 /nfs/dbraw/zinc/57/30/85/1077573085.db2.gz XSLYELRPJLDUGS-OAHLLOKOSA-N 0 0 421.498 2.884 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] ZINC000789442672 1077574932 /nfs/dbraw/zinc/57/49/32/1077574932.db2.gz KGQZPCWRXGPUBF-QGZVFWFLSA-N 0 0 411.414 2.971 20 5 HFBDRN CCS(=O)(=O)c1ccc(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000791836549 1077578913 /nfs/dbraw/zinc/57/89/13/1077578913.db2.gz IEKUXCQQODRFFZ-UHFFFAOYSA-N 0 0 408.388 2.583 20 5 HFBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000791880570 1077584656 /nfs/dbraw/zinc/58/46/56/1077584656.db2.gz PHZMYKMDDDPZSI-JFGNBEQYSA-N 0 0 403.332 2.886 20 5 HFBDRN 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CC(C)COc1ccc(OC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1 ZINC000789527862 1077623284 /nfs/dbraw/zinc/62/32/84/1077623284.db2.gz KSCHZRIORGLPJJ-UHFFFAOYSA-N 0 0 400.387 2.961 20 5 HFBDRN Nc1ccc(C(=O)N(CCO)Cc2ccc(Br)s2)cc1[N+](=O)[O-] ZINC000792003110 1077644326 /nfs/dbraw/zinc/64/43/26/1077644326.db2.gz GXPQHUUUJHFZPM-UHFFFAOYSA-N 0 0 400.254 2.636 20 5 HFBDRN O=C(NCc1ccc2ncccc2c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000792006986 1077646637 /nfs/dbraw/zinc/64/66/37/1077646637.db2.gz PUBJRVALKSMUCA-HNNXBMFYSA-N 0 0 408.389 2.951 20 5 HFBDRN NC(=O)C1=NO[C@@H](CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000789561739 1077681057 /nfs/dbraw/zinc/68/10/57/1077681057.db2.gz TYLSVJJFOLIJEZ-GFCCVEGCSA-N 0 0 404.810 2.760 20 5 HFBDRN O=[N+]([O-])c1ccc(Cn2nnc(Cc3cccc(Br)c3)n2)c([N+](=O)[O-])c1 ZINC000789595411 1077702156 /nfs/dbraw/zinc/70/21/56/1077702156.db2.gz JIMFDALXARFWNT-UHFFFAOYSA-N 0 0 419.195 2.891 20 5 HFBDRN COc1ccc(OC(=O)CCn2cnc3sc(C)c(C)c3c2=O)cc1[N+](=O)[O-] ZINC000792117714 1077703467 /nfs/dbraw/zinc/70/34/67/1077703467.db2.gz JZLJKEPRGLUTFN-UHFFFAOYSA-N 0 0 403.416 2.987 20 5 HFBDRN CC(C)(C)OC(=O)NC1(CC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000747057645 1077712985 /nfs/dbraw/zinc/71/29/85/1077712985.db2.gz HVTDTWBNQPOPCO-UHFFFAOYSA-N 0 0 407.423 2.914 20 5 HFBDRN O=C(c1csc(=O)[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000792128084 1077716227 /nfs/dbraw/zinc/71/62/27/1077716227.db2.gz HACDLWCBVGVBJA-UHFFFAOYSA-N 0 0 402.354 2.738 20 5 HFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000789646866 1077718018 /nfs/dbraw/zinc/71/80/18/1077718018.db2.gz MHZAZIOBPLWTND-DOMZBBRYSA-N 0 0 404.341 2.615 20 5 HFBDRN COc1ccc(S(C)(=O)=O)cc1COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000789686643 1077727238 /nfs/dbraw/zinc/72/72/38/1077727238.db2.gz YGKWJUHAEIUBBE-UHFFFAOYSA-N 0 0 424.387 2.581 20 5 HFBDRN COc1ccc(OC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1[N+](=O)[O-] ZINC000792123718 1077728973 /nfs/dbraw/zinc/72/89/73/1077728973.db2.gz NIYYEIUOCIJKOC-NSHDSACASA-N 0 0 421.387 2.783 20 5 HFBDRN COc1ccc(OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000792123371 1077729200 /nfs/dbraw/zinc/72/92/00/1077729200.db2.gz KSKBTMOBHAABEU-NSHDSACASA-N 0 0 406.416 2.533 20 5 HFBDRN COc1ccc(OC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000792123590 1077729241 /nfs/dbraw/zinc/72/92/41/1077729241.db2.gz FHHZVZHVIGPHFO-CQSZACIVSA-N 0 0 414.370 2.542 20 5 HFBDRN COC(=O)[C@H](NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC)c(O)c1 ZINC000792178274 1077736385 /nfs/dbraw/zinc/73/63/85/1077736385.db2.gz AIEDBKTUUBSSOM-HXUWFJFHSA-N 0 0 415.446 2.782 20 5 HFBDRN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000789730305 1077742075 /nfs/dbraw/zinc/74/20/75/1077742075.db2.gz ZQGNJPDWPSOAJE-CQSZACIVSA-N 0 0 422.235 2.657 20 5 HFBDRN Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789710603 1077749419 /nfs/dbraw/zinc/74/94/19/1077749419.db2.gz CESSTSXDTXJAII-QGZVFWFLSA-N 0 0 412.402 2.685 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)OCC(=O)c1ccncc1Cl ZINC000792218559 1077771799 /nfs/dbraw/zinc/77/17/99/1077771799.db2.gz CFMHVAJFAOIFTG-UHFFFAOYSA-N 0 0 401.762 2.996 20 5 HFBDRN CC[NH+](CC)CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000789750733 1077782204 /nfs/dbraw/zinc/78/22/04/1077782204.db2.gz WBBSODDWLNBEIK-UHFFFAOYSA-N 0 0 421.475 2.894 20 5 HFBDRN Cc1cc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cnc1Br ZINC000792314002 1077802801 /nfs/dbraw/zinc/80/28/01/1077802801.db2.gz MJXMAVJEDDICFI-UHFFFAOYSA-N 0 0 407.224 2.624 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000747067827 1077803222 /nfs/dbraw/zinc/80/32/22/1077803222.db2.gz DGIHCIIUZINWKA-OLZOCXBDSA-N 0 0 409.439 2.968 20 5 HFBDRN Cc1c(CNC(=O)C(=O)Nc2ccc(N3CCCC3)c(F)c2)cccc1[N+](=O)[O-] ZINC000792314502 1077803526 /nfs/dbraw/zinc/80/35/26/1077803526.db2.gz RVENRXSADXKRDS-UHFFFAOYSA-N 0 0 400.410 2.897 20 5 HFBDRN COc1ccc(NC(=O)COC(=O)c2csc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000792340695 1077826432 /nfs/dbraw/zinc/82/64/32/1077826432.db2.gz IHJKFENOTUYCQG-UHFFFAOYSA-N 0 0 405.310 2.874 20 5 HFBDRN C[C@H](O)[C@@](C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000792400024 1077835348 /nfs/dbraw/zinc/83/53/48/1077835348.db2.gz RWXYDTOMOIFALI-RNODOKPDSA-N 0 0 419.865 2.933 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1ccc(-n2cccn2)cc1C ZINC000789870444 1077844761 /nfs/dbraw/zinc/84/47/61/1077844761.db2.gz PFPAYTOGLWUCAL-UHFFFAOYSA-N 0 0 410.386 2.928 20 5 HFBDRN O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)c([N+](=O)[O-])c1 ZINC000789892937 1077852275 /nfs/dbraw/zinc/85/22/75/1077852275.db2.gz KHMJSNXKDBGJPQ-UHFFFAOYSA-N 0 0 424.460 2.975 20 5 HFBDRN Cn1c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2c2ccccc2c1=O ZINC000789902467 1077856192 /nfs/dbraw/zinc/85/61/92/1077856192.db2.gz OVZXJECTEHIJEO-UHFFFAOYSA-N 0 0 412.387 2.690 20 5 HFBDRN CCC[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H](O)c1ccccc1 ZINC000792412702 1077861623 /nfs/dbraw/zinc/86/16/23/1077861623.db2.gz ROOIHMBGVNTRIY-CRAIPNDOSA-N 0 0 401.419 2.560 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)Nc1ncccn1 ZINC000792472937 1077872469 /nfs/dbraw/zinc/87/24/69/1077872469.db2.gz MCWYQRHKTZDUGY-VIFPVBQESA-N 0 0 409.196 2.640 20 5 HFBDRN Cn1ncc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)n1 ZINC000792534676 1077890585 /nfs/dbraw/zinc/89/05/85/1077890585.db2.gz MMFHCRRQKPTYLU-MRXNPFEDSA-N 0 0 415.793 2.914 20 5 HFBDRN Cn1ncc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000792536404 1077892028 /nfs/dbraw/zinc/89/20/28/1077892028.db2.gz UKPCKJOTGPTQSQ-INIZCTEOSA-N 0 0 415.793 2.914 20 5 HFBDRN C[C@@H]1OCC[C@]12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCO2 ZINC000792540299 1077893785 /nfs/dbraw/zinc/89/37/85/1077893785.db2.gz MULNKXYHTRAZQA-VFZGTOFNSA-N 0 0 403.204 2.516 20 5 HFBDRN CC(C)(C)OCCNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000746870086 1077898848 /nfs/dbraw/zinc/89/88/48/1077898848.db2.gz XPQYRKSNUHWRBN-UHFFFAOYSA-N 0 0 422.459 2.907 20 5 HFBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@@H]1CN1CCOCC1 ZINC000772797723 1077902441 /nfs/dbraw/zinc/90/24/41/1077902441.db2.gz JBERGQKFUFNEQY-GDBMZVCRSA-N 0 0 410.902 2.762 20 5 HFBDRN Cc1c(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cccc1[N+](=O)[O-] ZINC000792559754 1077903633 /nfs/dbraw/zinc/90/36/33/1077903633.db2.gz JUHYVSGFKLFJEZ-ZDUSSCGKSA-N 0 0 416.365 2.620 20 5 HFBDRN CCC[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000792567623 1077907233 /nfs/dbraw/zinc/90/72/33/1077907233.db2.gz VBPOJNSENGGFIU-BEFAXECRSA-N 0 0 419.865 2.997 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C(=O)OC(C)(C)C ZINC000790040023 1077908343 /nfs/dbraw/zinc/90/83/43/1077908343.db2.gz STPNCGRGYSCINP-SECBINFHSA-N 0 0 423.285 2.674 20 5 HFBDRN CCC[C@H](CCO)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000790028996 1077919549 /nfs/dbraw/zinc/91/95/49/1077919549.db2.gz IGFGAOSLELZDIQ-LLVKDONJSA-N 0 0 409.302 2.743 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000790073462 1077922415 /nfs/dbraw/zinc/92/24/15/1077922415.db2.gz LNIMPNDFPOJGEG-ZCFIWIBFSA-N 0 0 402.194 2.766 20 5 HFBDRN COc1ccc(C[C@@H](C)N[C@H](C(=O)OCc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001170305363 1077933094 /nfs/dbraw/zinc/93/30/94/1077933094.db2.gz JPDCZBCJYBWEDG-SXGZJXTBSA-N 0 0 402.447 2.617 20 5 HFBDRN COC[C@H](N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001170305563 1077933462 /nfs/dbraw/zinc/93/34/62/1077933462.db2.gz NERHEWNTRHUNNE-BEFAXECRSA-N 0 0 402.447 2.882 20 5 HFBDRN CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000792607950 1077934460 /nfs/dbraw/zinc/93/44/60/1077934460.db2.gz ZLHXVURTLFOCKE-UHFFFAOYSA-N 0 0 403.439 2.875 20 5 HFBDRN CCOC(=O)c1ncn2c1CN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])CCC2 ZINC001170326987 1077944103 /nfs/dbraw/zinc/94/41/03/1077944103.db2.gz DSSXGBWUPKKQOX-CQSZACIVSA-N 0 0 402.451 2.814 20 5 HFBDRN CCS(=O)(=O)c1ccc(CNc2cc(OC)c(C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC001170332527 1077945426 /nfs/dbraw/zinc/94/54/26/1077945426.db2.gz OTTCGTMBVWURNJ-UHFFFAOYSA-N 0 0 408.432 2.796 20 5 HFBDRN COc1ccc(C[C@@H](C)N2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336578 1077947524 /nfs/dbraw/zinc/94/75/24/1077947524.db2.gz ZQCFPCAUELWPTK-OIISXLGYSA-N 0 0 421.494 2.855 20 5 HFBDRN CO[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)C[C@H]1O ZINC001170308798 1077948278 /nfs/dbraw/zinc/94/82/78/1077948278.db2.gz YBCOSYDIJMHJJB-KZNAEPCWSA-N 0 0 405.838 2.620 20 5 HFBDRN COC(=O)c1cnc(NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000790099587 1077948463 /nfs/dbraw/zinc/94/84/63/1077948463.db2.gz DWESWGWNZLHWTE-CYBMUJFWSA-N 0 0 401.297 2.821 20 5 HFBDRN COC(=O)[C@@](C)(NC(=O)c1noc(-c2cccc(F)c2)n1)c1cccc([N+](=O)[O-])c1 ZINC001170357157 1077949383 /nfs/dbraw/zinc/94/93/83/1077949383.db2.gz LKFVAQFEHDYHPL-IBGZPJMESA-N 0 0 414.349 2.602 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001170358191 1077949700 /nfs/dbraw/zinc/94/97/00/1077949700.db2.gz XXJPRGKQOLLTAH-CFCCAZDESA-N 0 0 400.431 2.572 20 5 HFBDRN COc1ccc(C[C@H](C)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343558 1077953933 /nfs/dbraw/zinc/95/39/33/1077953933.db2.gz QOIOXJXJEUXMTF-DLBZAZTESA-N 0 0 410.478 2.760 20 5 HFBDRN COc1cc(OCC(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001170347089 1077954582 /nfs/dbraw/zinc/95/45/82/1077954582.db2.gz IBNLGCVHIDHJBU-UONOGXRCSA-N 0 0 423.466 2.886 20 5 HFBDRN O=C(NC[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1)c1csc([N+](=O)[O-])c1 ZINC000772816420 1077963152 /nfs/dbraw/zinc/96/31/52/1077963152.db2.gz YOYATBGSUYUGCT-LLVKDONJSA-N 0 0 410.433 2.661 20 5 HFBDRN CCc1ccc(OS(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)c([N+](=O)[O-])c1 ZINC000790192201 1077967308 /nfs/dbraw/zinc/96/73/08/1077967308.db2.gz STCBUUFZALHGPD-UHFFFAOYSA-N 0 0 418.471 2.872 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790235201 1077973512 /nfs/dbraw/zinc/97/35/12/1077973512.db2.gz OECUCWZXZGJLPE-UHFFFAOYSA-N 0 0 404.398 2.891 20 5 HFBDRN COc1cc(C(=O)Nn2cnc3sc4c(c3c2=O)CCCC4)cc([N+](=O)[O-])c1C ZINC000790232512 1077981801 /nfs/dbraw/zinc/98/18/01/1077981801.db2.gz FJACMUHNPDTZAD-UHFFFAOYSA-N 0 0 414.443 2.946 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000790281389 1077984110 /nfs/dbraw/zinc/98/41/10/1077984110.db2.gz PXOQPIXOGYEYRM-UHFFFAOYSA-N 0 0 409.786 2.981 20 5 HFBDRN C[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000790287438 1077986052 /nfs/dbraw/zinc/98/60/52/1077986052.db2.gz HOKCNMAULAJJIM-LLVKDONJSA-N 0 0 424.397 2.663 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000790265493 1077990274 /nfs/dbraw/zinc/99/02/74/1077990274.db2.gz AQHUJIDPIQTVCF-INIZCTEOSA-N 0 0 406.483 2.530 20 5 HFBDRN COc1ccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000790267210 1077990950 /nfs/dbraw/zinc/99/09/50/1077990950.db2.gz ODRAYPRIPNRXSL-UHFFFAOYSA-N 0 0 402.407 2.956 20 5 HFBDRN C[C@H](OC(=O)[C@@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792785718 1077991423 /nfs/dbraw/zinc/99/14/23/1077991423.db2.gz PNTXVTDYVPVRMC-FKIZINRSSA-N 0 0 402.378 2.524 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000790272241 1077992931 /nfs/dbraw/zinc/99/29/31/1077992931.db2.gz UOGWXRXZQYJNFB-BZNIZROVSA-N 0 0 408.842 2.718 20 5 HFBDRN Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)c(N)c([N+](=O)[O-])c1 ZINC000792831292 1078007489 /nfs/dbraw/zinc/00/74/89/1078007489.db2.gz LGLSTKVKBQYYQH-UHFFFAOYSA-N 0 0 418.475 2.795 20 5 HFBDRN O=C(COC(=O)[C@@]1(O)CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792802617 1078009122 /nfs/dbraw/zinc/00/91/22/1078009122.db2.gz YRMZWPNZKFRWGF-LJQANCHMSA-N 0 0 404.806 2.650 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000790380198 1078009326 /nfs/dbraw/zinc/00/93/26/1078009326.db2.gz NZSDNNKNLAUOJK-GXTWGEPZSA-N 0 0 423.274 2.586 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccnc2OC(C)C)c([N+](=O)[O-])c1 ZINC000792839186 1078012459 /nfs/dbraw/zinc/01/24/59/1078012459.db2.gz XKDKPEHHFYUDDS-GFCCVEGCSA-N 0 0 403.391 2.970 20 5 HFBDRN C[C@@H](Cn1ncc2ccccc21)C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000792848101 1078013970 /nfs/dbraw/zinc/01/39/70/1078013970.db2.gz FGVWENXQDGKSBA-AWEZNQCLSA-N 0 0 408.414 2.713 20 5 HFBDRN C[C@H](Cn1ncc2ccccc21)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000792850517 1078014405 /nfs/dbraw/zinc/01/44/05/1078014405.db2.gz HLHJIAWODLZFAV-KUHUBIRLSA-N 0 0 408.414 2.929 20 5 HFBDRN C[C@H](Cn1ncc2ccccc21)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792851730 1078014700 /nfs/dbraw/zinc/01/47/00/1078014700.db2.gz JOJHANUYLVRXCY-GFCCVEGCSA-N 0 0 400.366 2.902 20 5 HFBDRN Cc1ncc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 ZINC000790366861 1078015273 /nfs/dbraw/zinc/01/52/73/1078015273.db2.gz GUXXGFCPTYIYLT-UHFFFAOYSA-N 0 0 418.294 2.869 20 5 HFBDRN Cc1ccc([C@H](CN2CCOCC2)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792877974 1078016009 /nfs/dbraw/zinc/01/60/09/1078016009.db2.gz YIBHQRRZSOTRDO-IBGZPJMESA-N 0 0 400.435 2.975 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000746910453 1078023001 /nfs/dbraw/zinc/02/30/01/1078023001.db2.gz LJLHJPUIHIMTPV-UHFFFAOYSA-N 0 0 420.443 2.791 20 5 HFBDRN Cc1cc(F)c(S(=O)(=O)Nc2cc(Br)c[nH]c2=O)cc1[N+](=O)[O-] ZINC000790402713 1078026668 /nfs/dbraw/zinc/02/66/68/1078026668.db2.gz GSDGHYWNFRDKDO-UHFFFAOYSA-N 0 0 406.189 2.706 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCO2)ccc1Br ZINC000790402379 1078026787 /nfs/dbraw/zinc/02/67/87/1078026787.db2.gz GSLJLAQKNISRHQ-JSGCOSHPSA-N 0 0 405.270 2.689 20 5 HFBDRN CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790428270 1078028297 /nfs/dbraw/zinc/02/82/97/1078028297.db2.gz HALJBPSPYJTJPX-LBPRGKRZSA-N 0 0 403.888 2.626 20 5 HFBDRN Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)CCn1cc([N+](=O)[O-])cn1 ZINC000772824966 1078030825 /nfs/dbraw/zinc/03/08/25/1078030825.db2.gz OFYFACHSIKLFIX-MHZLTWQESA-N 0 0 407.883 2.947 20 5 HFBDRN CC(C)(C)SCCNC(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000792979672 1078031333 /nfs/dbraw/zinc/03/13/33/1078031333.db2.gz HFQZOOLANNBDPQ-UHFFFAOYSA-N 0 0 404.286 2.944 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000790447391 1078034637 /nfs/dbraw/zinc/03/46/37/1078034637.db2.gz KPGVZHNVEWHUKN-PHIMTYICSA-N 0 0 419.887 2.891 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(C2)CCCOC3)cc1Br ZINC000790448897 1078034818 /nfs/dbraw/zinc/03/48/18/1078034818.db2.gz BLCKWBMEZIJNJI-AWEZNQCLSA-N 0 0 405.270 2.549 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@@]2(C1)CCCOC2 ZINC000790449502 1078035349 /nfs/dbraw/zinc/03/53/49/1078035349.db2.gz GKWNJRJBXPJYBV-CQSZACIVSA-N 0 0 405.270 2.549 20 5 HFBDRN CC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000790454724 1078036714 /nfs/dbraw/zinc/03/67/14/1078036714.db2.gz HGRRRRXUGVTDMX-CYBMUJFWSA-N 0 0 407.286 2.793 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000790457179 1078037091 /nfs/dbraw/zinc/03/70/91/1078037091.db2.gz LMSJSSIWEGXVFW-MQIPJXDCSA-N 0 0 404.872 2.514 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccnc2-n2ccnc2)cc1[N+](=O)[O-] ZINC000792965390 1078037304 /nfs/dbraw/zinc/03/73/04/1078037304.db2.gz IGGYCOQMAKJDAM-UHFFFAOYSA-N 0 0 422.445 2.728 20 5 HFBDRN COc1ccc(C(=O)NCC(=O)OCCSc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000792993274 1078043038 /nfs/dbraw/zinc/04/30/38/1078043038.db2.gz USRQOACGYYGOLP-UHFFFAOYSA-N 0 0 408.407 2.808 20 5 HFBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCC12OCCO2 ZINC000806320025 1079590942 /nfs/dbraw/zinc/59/09/42/1079590942.db2.gz XYTHZPWCKRILMX-GFCCVEGCSA-N 0 0 403.357 2.685 20 5 HFBDRN O=C(CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)Nc1cc2c([nH]c1=O)CCCC2 ZINC001130598150 1079618698 /nfs/dbraw/zinc/61/86/98/1079618698.db2.gz GJHLGRSUYUSMQU-UHFFFAOYSA-N 0 0 418.356 2.651 20 5 HFBDRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000806379979 1079628261 /nfs/dbraw/zinc/62/82/61/1079628261.db2.gz FPZQSSJIDNQNEH-HUUCEWRRSA-N 0 0 405.455 2.667 20 5 HFBDRN CC[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O ZINC000806366942 1079653452 /nfs/dbraw/zinc/65/34/52/1079653452.db2.gz GFVCJARHSIRUPW-KOLCDFICSA-N 0 0 420.285 2.787 20 5 HFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCCOC2)C1 ZINC000806368062 1079654735 /nfs/dbraw/zinc/65/47/35/1079654735.db2.gz UCOLXMGFRVQEIS-HNNXBMFYSA-N 0 0 400.229 2.771 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@H]1COC(=O)NC(C)C ZINC000806493963 1079744705 /nfs/dbraw/zinc/74/47/05/1079744705.db2.gz JKKDDFYJQHSLNI-INIZCTEOSA-N 0 0 408.455 2.802 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000806498264 1079748798 /nfs/dbraw/zinc/74/87/98/1079748798.db2.gz ZGDAXNPTSALIAI-OAHLLOKOSA-N 0 0 408.455 2.804 20 5 HFBDRN C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000806644871 1079900899 /nfs/dbraw/zinc/90/08/99/1079900899.db2.gz LVRFUCIFCNSHAR-KSSFIOAISA-N 0 0 401.444 2.990 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1F ZINC000806703112 1079927157 /nfs/dbraw/zinc/92/71/57/1079927157.db2.gz CNFUQVOLISSZKW-UHFFFAOYSA-N 0 0 404.379 2.780 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(I)cc1F ZINC001130707974 1079928146 /nfs/dbraw/zinc/92/81/46/1079928146.db2.gz QGCDUTGHCKDVOC-UHFFFAOYSA-N 0 0 418.166 2.872 20 5 HFBDRN Cc1n[nH]cc1CCCNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000806727229 1079950683 /nfs/dbraw/zinc/95/06/83/1079950683.db2.gz COIJIKFJDKGBPW-UHFFFAOYSA-N 0 0 410.272 2.574 20 5 HFBDRN O=C(Nc1cncc(OCC(F)(F)F)n1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001130735130 1079977968 /nfs/dbraw/zinc/97/79/68/1079977968.db2.gz OFSBSGVDGSEDKS-UHFFFAOYSA-N 0 0 414.296 2.740 20 5 HFBDRN O=C(c1sc(Br)cc1[N+](=O)[O-])N1CCC(Cn2cnnc2)CC1 ZINC001130807548 1080176080 /nfs/dbraw/zinc/17/60/80/1080176080.db2.gz KELFYLREMXFHIC-UHFFFAOYSA-N 0 0 400.258 2.563 20 5 HFBDRN C[C@H](COc1c(F)cccc1F)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001130811073 1080188293 /nfs/dbraw/zinc/18/82/93/1080188293.db2.gz QBMLSCHFNMWODZ-RISCZKNCSA-N 0 0 423.372 2.654 20 5 HFBDRN C[C@H](COc1c(F)cccc1F)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001130811072 1080188339 /nfs/dbraw/zinc/18/83/39/1080188339.db2.gz QBMLSCHFNMWODZ-BXUZGUMPSA-N 0 0 423.372 2.654 20 5 HFBDRN Cc1c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000807229793 1080388908 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ZSKLZLSGYAOUQQ-SNVBAGLBSA-N 0 0 419.365 2.526 20 5 HFBDRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000807414576 1080615280 /nfs/dbraw/zinc/61/52/80/1080615280.db2.gz FOZQRSIRGHULBM-KRWDZBQOSA-N 0 0 418.450 2.583 20 5 HFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000807501952 1080700643 /nfs/dbraw/zinc/70/06/43/1080700643.db2.gz XUZFEEHEFPGTRU-KBPBESRZSA-N 0 0 420.466 2.664 20 5 HFBDRN CN(CC(F)(F)Br)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807529003 1080740733 /nfs/dbraw/zinc/74/07/33/1080740733.db2.gz UGYZIULCXVGXLF-UHFFFAOYSA-N 0 0 400.563 2.633 20 5 HFBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000426815795 1126092438 /nfs/dbraw/zinc/09/24/38/1126092438.db2.gz HHOXQJMNTLQRCW-MOPGFXCFSA-N 0 0 400.431 2.938 20 5 HFBDRN CSc1nc(Cl)nc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164785040 721413602 /nfs/dbraw/zinc/41/36/02/721413602.db2.gz MEQVDCNPDZJRMF-AOOOYVTPSA-N 0 0 412.928 2.785 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@H]12 ZINC001164795695 721528511 /nfs/dbraw/zinc/52/85/11/721528511.db2.gz RRJOTORFFUPORF-NUJGCVRESA-N 0 0 403.870 2.906 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@H]12 ZINC001164805101 721549159 /nfs/dbraw/zinc/54/91/59/721549159.db2.gz KYLROGSPFXYOBM-HBMCJLEFSA-N 0 0 420.473 2.801 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H]2CCCO[C@H]12 ZINC001164805391 721568126 /nfs/dbraw/zinc/56/81/26/721568126.db2.gz NKXBOJBCXADGKO-POAQFYNOSA-N 0 0 408.462 2.734 20 5 HFBDRN Cn1ccc(CN2CCOCC23CCN(c2ccc4ccc([N+](=O)[O-])cc4n2)CC3)n1 ZINC001164933898 721904507 /nfs/dbraw/zinc/90/45/07/721904507.db2.gz UDZYVHGWXCJJPQ-UHFFFAOYSA-N 0 0 422.489 2.748 20 5 HFBDRN Cn1ccc(CN2CCOCC23CCN(c2nccc4cc([N+](=O)[O-])ccc42)CC3)n1 ZINC001164935381 721910101 /nfs/dbraw/zinc/91/01/01/721910101.db2.gz GMOBSOVSSLYWER-UHFFFAOYSA-N 0 0 422.489 2.748 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])C[C@H]21 ZINC001164940569 721941898 /nfs/dbraw/zinc/94/18/98/721941898.db2.gz BQJZALIJBGKXDA-HZPDHXFCSA-N 0 0 407.858 2.646 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(F)cc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987920 722177923 /nfs/dbraw/zinc/17/79/23/722177923.db2.gz PNRVIRUCMAXACY-RDJZCZTQSA-N 0 0 407.471 2.764 20 5 HFBDRN COc1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ncc1[N+](=O)[O-] ZINC001164991208 722180284 /nfs/dbraw/zinc/18/02/84/722180284.db2.gz PDDGPBYRNOYSIM-DOTOQJQBSA-N 0 0 419.507 2.633 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001165005016 722260312 /nfs/dbraw/zinc/26/03/12/722260312.db2.gz SYPBZVZUIYLNKO-LJQANCHMSA-N 0 0 419.844 2.710 20 5 HFBDRN O=C([O-])[C@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+](Cc2ccccc2)C1 ZINC001123267470 939816960 /nfs/dbraw/zinc/81/69/60/939816960.db2.gz HTFAFLWQGGIIIZ-QFIPXVFZSA-N 0 0 422.441 2.925 20 5 HFBDRN Cc1noc(C)c1CN1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790530024 1078051548 /nfs/dbraw/zinc/05/15/48/1078051548.db2.gz KELFWFCIDMMJGR-UHFFFAOYSA-N 0 0 410.833 2.879 20 5 HFBDRN O=C(CC[C@H]1Cc2ccccc2NC1=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000746920992 1078054881 /nfs/dbraw/zinc/05/48/81/1078054881.db2.gz ZSWTWLPGSCSENE-HNAYVOBHSA-N 0 0 423.425 2.835 20 5 HFBDRN CS(=O)(=O)Cc1ccccc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790558815 1078055755 /nfs/dbraw/zinc/05/57/55/1078055755.db2.gz VVGSFSVQYRZTEN-UHFFFAOYSA-N 0 0 414.842 2.791 20 5 HFBDRN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790569099 1078057698 /nfs/dbraw/zinc/05/76/98/1078057698.db2.gz UHUGWEQVCBPOAI-GHMZBOCLSA-N 0 0 401.822 2.913 20 5 HFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793056232 1078058106 /nfs/dbraw/zinc/05/81/06/1078058106.db2.gz LIZWDTSTPPCTMI-JDFRZJQESA-N 0 0 417.462 2.631 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)NOCc2ccc(C(F)(F)F)cc2)cc([N+](=O)[O-])c1 ZINC000746924374 1078059211 /nfs/dbraw/zinc/05/92/11/1078059211.db2.gz ZVSVDSQCJSNAOZ-UHFFFAOYSA-N 0 0 418.349 2.879 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccc(Cl)n1 ZINC000793064498 1078060384 /nfs/dbraw/zinc/06/03/84/1078060384.db2.gz HNOBEZULMOACEQ-UHFFFAOYSA-N 0 0 402.716 2.917 20 5 HFBDRN C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000793067293 1078061280 /nfs/dbraw/zinc/06/12/80/1078061280.db2.gz LHCGCXZHLDMJAE-QKKBWIMNSA-N 0 0 419.478 2.627 20 5 HFBDRN O=C(OCCC1CS(=O)(=O)C1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000790631730 1078068768 /nfs/dbraw/zinc/06/87/68/1078068768.db2.gz OLHUWDWYXSFVBO-UHFFFAOYSA-N 0 0 404.444 2.798 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1cc2c(nc3ccccn3c2=O)n1C ZINC000746935627 1078076703 /nfs/dbraw/zinc/07/67/03/1078076703.db2.gz AWONXSBDPXRPHT-UHFFFAOYSA-N 0 0 422.397 2.850 20 5 HFBDRN O=C(CC1OCCCO1)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793118826 1078083653 /nfs/dbraw/zinc/08/36/53/1078083653.db2.gz SIMJCIUMWLZUMW-INIZCTEOSA-N 0 0 406.435 2.676 20 5 HFBDRN O=C(CCc1cnccn1)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793117216 1078083700 /nfs/dbraw/zinc/08/37/00/1078083700.db2.gz KVUMWFFMHSQNHX-GOSISDBHSA-N 0 0 412.446 2.946 20 5 HFBDRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000746938470 1078090029 /nfs/dbraw/zinc/09/00/29/1078090029.db2.gz KZBQMKDOZCEYTA-KRWDZBQOSA-N 0 0 405.451 2.722 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccc1F ZINC000793175323 1078094665 /nfs/dbraw/zinc/09/46/65/1078094665.db2.gz XUZRFYVFWGCQPE-ZIAGYGMSSA-N 0 0 411.411 2.675 20 5 HFBDRN CC(C)c1nsc(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000793218173 1078099680 /nfs/dbraw/zinc/09/96/80/1078099680.db2.gz PBOBGNXBDLLWOK-JTQLQIEISA-N 0 0 410.477 2.979 20 5 HFBDRN COc1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)cc([N+](=O)[O-])c1C ZINC000790759417 1078111951 /nfs/dbraw/zinc/11/19/51/1078111951.db2.gz GUSYGLJJUGWYDC-ZBFHGGJFSA-N 0 0 406.460 2.938 20 5 HFBDRN NC(=O)c1cccnc1COC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000793266913 1078114019 /nfs/dbraw/zinc/11/40/19/1078114019.db2.gz MJZTWXZKRATHFW-UHFFFAOYSA-N 0 0 412.324 2.653 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000790741055 1078121234 /nfs/dbraw/zinc/12/12/34/1078121234.db2.gz CMSXHOXHZFRTAV-NSHDSACASA-N 0 0 423.788 2.946 20 5 HFBDRN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790743747 1078122961 /nfs/dbraw/zinc/12/29/61/1078122961.db2.gz YEEFZMRIOVSPSF-SNVBAGLBSA-N 0 0 424.816 2.701 20 5 HFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)S(=O)[C@H](C)C2)cc1Br ZINC000790801093 1078139411 /nfs/dbraw/zinc/13/94/11/1078139411.db2.gz VXWAEDYQNDKOOE-NXEZZACHSA-N 0 0 419.297 2.880 20 5 HFBDRN CCOC[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790842733 1078145196 /nfs/dbraw/zinc/14/51/96/1078145196.db2.gz JCIMCOYDESMXSW-CYBMUJFWSA-N 0 0 401.441 2.557 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)c3cc(F)ccc32)c(C)c1[N+](=O)[O-] ZINC000790851620 1078148896 /nfs/dbraw/zinc/14/88/96/1078148896.db2.gz RGQBCYDXEAFFGJ-UHFFFAOYSA-N 0 0 424.410 2.904 20 5 HFBDRN CC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CCOCC1 ZINC000790852557 1078149777 /nfs/dbraw/zinc/14/97/77/1078149777.db2.gz YTHVEKGYMNBOKG-ZDUSSCGKSA-N 0 0 401.441 2.603 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)O)c(C)c1[N+](=O)[O-] ZINC000790853416 1078150362 /nfs/dbraw/zinc/15/03/62/1078150362.db2.gz OKQDSYYAXCFAIC-LBPRGKRZSA-N 0 0 423.447 2.692 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@](C)(O)CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000790853955 1078151152 /nfs/dbraw/zinc/15/11/52/1078151152.db2.gz QYWKZMPJZVRUEM-INIZCTEOSA-N 0 0 403.457 2.585 20 5 HFBDRN CCCCCOC1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790856545 1078151703 /nfs/dbraw/zinc/15/17/03/1078151703.db2.gz MGXQBULJWPOFEZ-UHFFFAOYSA-N 0 0 401.441 2.700 20 5 HFBDRN Cc1ncc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790831011 1078160090 /nfs/dbraw/zinc/16/00/90/1078160090.db2.gz WMVCYZFJBGCYCK-UHFFFAOYSA-N 0 0 400.438 2.705 20 5 HFBDRN COc1cc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(OC)c1 ZINC000790833704 1078160996 /nfs/dbraw/zinc/16/09/96/1078160996.db2.gz XFHGCWFSGKAROO-UHFFFAOYSA-N 0 0 405.382 2.770 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)COc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790835076 1078161571 /nfs/dbraw/zinc/16/15/71/1078161571.db2.gz INLGHISGYAKELD-NSHDSACASA-N 0 0 409.420 2.866 20 5 HFBDRN Cc1ccn2cc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)nc2c1 ZINC000790836620 1078161774 /nfs/dbraw/zinc/16/17/74/1078161774.db2.gz VMSOUFADVGCGSE-UHFFFAOYSA-N 0 0 419.419 2.554 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000790835732 1078162586 /nfs/dbraw/zinc/16/25/86/1078162586.db2.gz KEQCYCQTZDNNFD-UHFFFAOYSA-N 0 0 401.347 2.877 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2cc(F)cc(F)c2)c(C)c1[N+](=O)[O-] ZINC000790837445 1078162880 /nfs/dbraw/zinc/16/28/80/1078162880.db2.gz AIGMJKFMTBKOHJ-UHFFFAOYSA-N 0 0 415.374 2.919 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2([C@@H](C)CCO)CCC2)c(C)c1[N+](=O)[O-] ZINC000790864775 1078163122 /nfs/dbraw/zinc/16/31/22/1078163122.db2.gz FQVYZOSRZBPTJF-NSHDSACASA-N 0 0 415.468 2.587 20 5 HFBDRN COCC[C@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790871249 1078166938 /nfs/dbraw/zinc/16/69/38/1078166938.db2.gz WWYAUGZZOSTSCG-CQSZACIVSA-N 0 0 415.468 2.947 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)N2CCc3cc(C)ccc3C2)cc1[N+](=O)[O-] ZINC000790885881 1078171346 /nfs/dbraw/zinc/17/13/46/1078171346.db2.gz JJZDDZADSCMBDO-UHFFFAOYSA-N 0 0 405.432 2.829 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[C@@H]2CCCC[C@@H]2O)c(C)c1[N+](=O)[O-] ZINC000790860316 1078178289 /nfs/dbraw/zinc/17/82/89/1078178289.db2.gz AEPMABUSDWUNSX-ZFWWWQNUSA-N 0 0 415.468 2.729 20 5 HFBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cccc1N1CN=NC1=O ZINC000793609865 1078227226 /nfs/dbraw/zinc/22/72/26/1078227226.db2.gz BIUHOQCNXSLQSG-UHFFFAOYSA-N 0 0 400.370 2.647 20 5 HFBDRN C[C@H]1C[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1C(=O)OC(C)(C)C ZINC000793974506 1078350215 /nfs/dbraw/zinc/35/02/15/1078350215.db2.gz XKYOBLRQKIGVPH-GJZGRUSLSA-N 0 0 421.498 2.990 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3cccnc3-n3cccn3)CC2)ccc1[N+](=O)[O-] ZINC000794050170 1078366065 /nfs/dbraw/zinc/36/60/65/1078366065.db2.gz XUBZLNIESOUNNW-UHFFFAOYSA-N 0 0 422.445 2.537 20 5 HFBDRN COc1cc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)c([N+](=O)[O-])cc1OC ZINC000794112392 1078373836 /nfs/dbraw/zinc/37/38/36/1078373836.db2.gz YKDXIZCYHCEUKX-UHFFFAOYSA-N 0 0 405.338 2.960 20 5 HFBDRN COc1ccc([C@@H]2C[C@H]2NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 ZINC000794145334 1078377836 /nfs/dbraw/zinc/37/78/36/1078377836.db2.gz IIKRSIMGYLKYDA-DLBZAZTESA-N 0 0 420.425 2.744 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000747181612 1078386829 /nfs/dbraw/zinc/38/68/29/1078386829.db2.gz UKILBVMIIQNUPE-UHFFFAOYSA-N 0 0 407.404 2.651 20 5 HFBDRN COc1ccc([C@@H]2C[C@H]2NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000794158927 1078385471 /nfs/dbraw/zinc/38/54/71/1078385471.db2.gz KKXMMBXZHWOPRE-DZGCQCFKSA-N 0 0 403.822 2.659 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H](CO)c1ccccc1OC(F)(F)F ZINC000794263303 1078395489 /nfs/dbraw/zinc/39/54/89/1078395489.db2.gz JDZDNAARBXTZQD-CQSZACIVSA-N 0 0 424.335 2.693 20 5 HFBDRN O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N(CCO)Cc1cccnc1Cl ZINC000794324801 1078413945 /nfs/dbraw/zinc/41/39/45/1078413945.db2.gz DBUZEMHKBTWCOE-UHFFFAOYSA-N 0 0 401.753 2.879 20 5 HFBDRN COCCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)cc1 ZINC000794375550 1078430516 /nfs/dbraw/zinc/43/05/16/1078430516.db2.gz MGKKSFNXAUWGIB-UHFFFAOYSA-N 0 0 424.251 2.845 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000804375333 1078438722 /nfs/dbraw/zinc/43/87/22/1078438722.db2.gz PVBBQGZKLOJCMB-UHFFFAOYSA-N 0 0 421.866 2.635 20 5 HFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(=O)Nc2cc(C(=O)OC)ccc21 ZINC001129403991 1078454958 /nfs/dbraw/zinc/45/49/58/1078454958.db2.gz HCYOJAGSXGPIML-AWEZNQCLSA-N 0 0 411.414 2.935 20 5 HFBDRN Nc1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 ZINC000804404665 1078456247 /nfs/dbraw/zinc/45/62/47/1078456247.db2.gz VNPYHFBRNAMCQA-UHFFFAOYSA-N 0 0 405.252 2.902 20 5 HFBDRN Cc1csc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC001129453043 1078459182 /nfs/dbraw/zinc/45/91/82/1078459182.db2.gz YGRCYRUJTGTFGA-GFCCVEGCSA-N 0 0 412.353 2.974 20 5 HFBDRN Cn1c2cc(N[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804452249 1078488388 /nfs/dbraw/zinc/48/83/88/1078488388.db2.gz DFRTYXRNNBHHRB-ZDUSSCGKSA-N 0 0 419.482 2.987 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 ZINC000747205075 1078488816 /nfs/dbraw/zinc/48/88/16/1078488816.db2.gz WXGPLUNVDXQBGY-LBPRGKRZSA-N 0 0 416.409 2.943 20 5 HFBDRN CC(C)[C@H](CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C)NC(=O)OC(C)(C)C ZINC000804461032 1078501790 /nfs/dbraw/zinc/50/17/90/1078501790.db2.gz RECIIDRVMZJNQF-ZDUSSCGKSA-N 0 0 407.471 2.746 20 5 HFBDRN Cc1c(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1-c1ccc(C)cc1 ZINC001129495651 1078514666 /nfs/dbraw/zinc/51/46/66/1078514666.db2.gz FDQLFBAANMXELM-UHFFFAOYSA-N 0 0 406.446 2.755 20 5 HFBDRN COc1ccccc1-c1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)no1 ZINC001129496055 1078515498 /nfs/dbraw/zinc/51/54/98/1078515498.db2.gz UWALCKFUZZITGR-UHFFFAOYSA-N 0 0 409.402 2.616 20 5 HFBDRN CC(C)(C)OC(=O)N1C[C@H]2CN(c3nc4ccc([N+](=O)[O-])cc4c(=O)[nH]3)C[C@H]2C1 ZINC000804681916 1078520869 /nfs/dbraw/zinc/52/08/69/1078520869.db2.gz HUTUCRRQMRJYHE-TXEJJXNPSA-N 0 0 401.423 2.547 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 ZINC000804462661 1078525879 /nfs/dbraw/zinc/52/58/79/1078525879.db2.gz PRBANLLJAHQLFK-FZMZJTMJSA-N 0 0 424.454 2.949 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 ZINC000804462662 1078525898 /nfs/dbraw/zinc/52/58/98/1078525898.db2.gz PRBANLLJAHQLFK-RISCZKNCSA-N 0 0 424.454 2.949 20 5 HFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)cc1OC ZINC001129847549 1078530657 /nfs/dbraw/zinc/53/06/57/1078530657.db2.gz WLINQGSEXQAUQT-SSDOTTSWSA-N 0 0 404.301 2.895 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001129856210 1078536422 /nfs/dbraw/zinc/53/64/22/1078536422.db2.gz WPAMIEVHZLBMGR-OAHLLOKOSA-N 0 0 415.450 2.582 20 5 HFBDRN C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804496469 1078551709 /nfs/dbraw/zinc/55/17/09/1078551709.db2.gz XYMBGQILAGCAPT-RISCZKNCSA-N 0 0 403.439 2.983 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC001129877655 1078549932 /nfs/dbraw/zinc/54/99/32/1078549932.db2.gz RNCBGUTVBGNQLH-ARFHVFGLSA-N 0 0 423.535 2.807 20 5 HFBDRN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000804724756 1078563483 /nfs/dbraw/zinc/56/34/83/1078563483.db2.gz LXVUKYCVEJKKFJ-UHFFFAOYSA-N 0 0 408.317 2.870 20 5 HFBDRN O=C(N[C@H](C1CC1)C1CCC1)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001129604240 1078575626 /nfs/dbraw/zinc/57/56/26/1078575626.db2.gz ADYKMEZAONMRRW-LPHOPBHVSA-N 0 0 421.519 2.690 20 5 HFBDRN Nc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc(CO)c1[N+](=O)[O-] ZINC000804703512 1078567599 /nfs/dbraw/zinc/56/75/99/1078567599.db2.gz OBZCCEYKPVLGKE-UHFFFAOYSA-N 0 0 423.223 2.903 20 5 HFBDRN 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CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000804807951 1078638041 /nfs/dbraw/zinc/63/80/41/1078638041.db2.gz CWJPHKAZGZHEAF-ZLEPTUEESA-N 0 0 414.427 2.624 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000804801228 1078632350 /nfs/dbraw/zinc/63/23/50/1078632350.db2.gz ZACLBMQUWULZBO-PSASIEDQSA-N 0 0 418.340 2.588 20 5 HFBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC001129648717 1078638061 /nfs/dbraw/zinc/63/80/61/1078638061.db2.gz XNVCMBXBTUDRML-ZWKOTPCHSA-N 0 0 424.461 2.532 20 5 HFBDRN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000804807980 1078638068 /nfs/dbraw/zinc/63/80/68/1078638068.db2.gz CWJPHKAZGZHEAF-UXJHZYDESA-N 0 0 414.427 2.624 20 5 HFBDRN COC(=O)c1ccc([C@H](OC(=O)CCn2cc([N+](=O)[O-])cn2)C(F)(F)F)cc1 ZINC000747214515 1078634394 /nfs/dbraw/zinc/63/43/94/1078634394.db2.gz HSTJIWISBAODNM-AWEZNQCLSA-N 0 0 401.297 2.815 20 5 HFBDRN 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CCN(C)c1ccccc1CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000804829795 1078668723 /nfs/dbraw/zinc/66/87/23/1078668723.db2.gz GESUVTBAQSRADN-UHFFFAOYSA-N 0 0 410.474 2.858 20 5 HFBDRN COc1cc(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000804834288 1078674978 /nfs/dbraw/zinc/67/49/78/1078674978.db2.gz FFQWVXVYCGOXCQ-AWEZNQCLSA-N 0 0 424.473 2.874 20 5 HFBDRN COc1cc(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000804834364 1078675295 /nfs/dbraw/zinc/67/52/95/1078675295.db2.gz HNAJKCSYQSKGKQ-AWEZNQCLSA-N 0 0 424.473 2.874 20 5 HFBDRN CCS(=O)(=O)CCCNC(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001129726397 1078676324 /nfs/dbraw/zinc/67/63/24/1078676324.db2.gz CJXIUVHSONJZKF-HUUCEWRRSA-N 0 0 411.524 2.632 20 5 HFBDRN CSc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804632448 1078677514 /nfs/dbraw/zinc/67/75/14/1078677514.db2.gz BCQWAXJRTDHDSY-LSDHHAIUSA-N 0 0 423.491 2.827 20 5 HFBDRN CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1(COC)CCCN1C(=O)OC(C)(C)C ZINC000804837568 1078679024 /nfs/dbraw/zinc/67/90/24/1078679024.db2.gz FNLRUAONLFGIGJ-HXUWFJFHSA-N 0 0 422.482 2.782 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000804630491 1078683479 /nfs/dbraw/zinc/68/34/79/1078683479.db2.gz CVCNVOZMRGPXJN-GDBMZVCRSA-N 0 0 423.491 2.583 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000804630457 1078684648 /nfs/dbraw/zinc/68/46/48/1078684648.db2.gz CLGOTEPIPFEHCO-UHFFFAOYSA-N 0 0 408.455 2.968 20 5 HFBDRN NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC001129736765 1078684682 /nfs/dbraw/zinc/68/46/82/1078684682.db2.gz WNXKQLFROQJLOJ-SFHVURJKSA-N 0 0 418.247 2.627 20 5 HFBDRN C/C(=C/C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000804631616 1078685283 /nfs/dbraw/zinc/68/52/83/1078685283.db2.gz NUYSXTXZSNESTH-ZWBWRASZSA-N 0 0 417.462 2.894 20 5 HFBDRN C/C(=C\C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000804631615 1078685320 /nfs/dbraw/zinc/68/53/20/1078685320.db2.gz NUYSXTXZSNESTH-XHWIFQCKSA-N 0 0 417.462 2.894 20 5 HFBDRN CCc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804643311 1078694960 /nfs/dbraw/zinc/69/49/60/1078694960.db2.gz YLOVNNQVLZIZMR-DLBZAZTESA-N 0 0 405.451 2.667 20 5 HFBDRN CC(C)NC(=O)c1cnn2c1C[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC2 ZINC000804643194 1078694423 /nfs/dbraw/zinc/69/44/23/1078694423.db2.gz FLWDIMBOQVAMOO-GFCCVEGCSA-N 0 0 402.411 2.512 20 5 HFBDRN CN(CC(=O)N1CC(F)(F)C(F)(F)C1)c1cc(Br)ccc1[N+](=O)[O-] ZINC001129756441 1078700763 /nfs/dbraw/zinc/70/07/63/1078700763.db2.gz UOUFIMJBSBQKHV-UHFFFAOYSA-N 0 0 414.153 2.906 20 5 HFBDRN C[C@@H]1CC[C@H]1NC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000804855668 1078725853 /nfs/dbraw/zinc/72/58/53/1078725853.db2.gz TUDPPQIUVMODHR-NXOUGTEYSA-N 0 0 412.402 2.889 20 5 HFBDRN 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416.224 2.979 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(C(N)=O)c(Cl)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000805572612 1079155032 /nfs/dbraw/zinc/15/50/32/1079155032.db2.gz HVTIMFSGLRJYMH-MRVPVSSYSA-N 0 0 417.765 2.710 20 5 HFBDRN NC(=O)c1ccc(COC(=O)c2cc(Br)ncc2Cl)c([N+](=O)[O-])c1 ZINC000805626471 1079180884 /nfs/dbraw/zinc/18/08/84/1079180884.db2.gz HTDFDWQHIFEUQH-UHFFFAOYSA-N 0 0 414.599 2.862 20 5 HFBDRN COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000747265812 1079221314 /nfs/dbraw/zinc/22/13/14/1079221314.db2.gz FURLOXCYLJKJNV-WDZFZDKYSA-N 0 0 402.428 2.923 20 5 HFBDRN CNC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccc(F)cc1C ZINC001130339461 1079226119 /nfs/dbraw/zinc/22/61/19/1079226119.db2.gz JEEVOMKWXQILLV-OAHLLOKOSA-N 0 0 424.432 2.925 20 5 HFBDRN CN(CC(=O)N(CCC(=O)OC(C)(C)C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001130406365 1079307124 /nfs/dbraw/zinc/30/71/24/1079307124.db2.gz GOSZAJCDBGOJSA-UHFFFAOYSA-N 0 0 421.494 2.770 20 5 HFBDRN 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/nfs/dbraw/zinc/98/60/41/1076986041.db2.gz MPNPHXAXGKTFCG-UHFFFAOYSA-N 0 0 407.189 2.623 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C(C)(C)C1 ZINC000746712005 1076987997 /nfs/dbraw/zinc/98/79/97/1076987997.db2.gz HHNUJYQZHGCVPD-UHFFFAOYSA-N 0 0 421.450 2.838 20 5 HFBDRN O=C(Nc1ccc(SC(F)F)nc1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787917346 1076995080 /nfs/dbraw/zinc/99/50/80/1076995080.db2.gz UITNQSZASBZFOT-UHFFFAOYSA-N 0 0 424.385 2.533 20 5 HFBDRN CCN(C1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000787898724 1077004232 /nfs/dbraw/zinc/00/42/32/1077004232.db2.gz NXQUSBLTVVSIMA-UHFFFAOYSA-N 0 0 420.329 2.916 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)c1F ZINC000787937782 1077016570 /nfs/dbraw/zinc/01/65/70/1077016570.db2.gz CXLAQMGELVSUDR-LBPRGKRZSA-N 0 0 403.366 2.614 20 5 HFBDRN C[C@H](OC(=O)c1cnn(CCO)c1-c1ccccc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000787941364 1077018609 /nfs/dbraw/zinc/01/86/09/1077018609.db2.gz 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ZINC000788280950 1077096738 /nfs/dbraw/zinc/09/67/38/1077096738.db2.gz BCWMENAXCJMKJW-UHFFFAOYSA-N 0 0 421.450 2.757 20 5 HFBDRN COc1ccc(OC)c([C@@H](O)CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000788328150 1077103104 /nfs/dbraw/zinc/10/31/04/1077103104.db2.gz ZDHFOFKIXMTFAI-FQEVSTJZSA-N 0 0 417.462 2.590 20 5 HFBDRN O=[N+]([O-])c1ccc([C@H](O)Cn2nnc(Cc3cccc(Br)c3)n2)cc1 ZINC000788427818 1077143132 /nfs/dbraw/zinc/14/31/32/1077143132.db2.gz HPICEALHQXGPPW-OAHLLOKOSA-N 0 0 404.224 2.668 20 5 HFBDRN CCn1nccc1CCOC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000788406676 1077152306 /nfs/dbraw/zinc/15/23/06/1077152306.db2.gz HYLQFZOAPJDUHR-UHFFFAOYSA-N 0 0 415.187 2.815 20 5 HFBDRN CCOC(=O)[C@H](COC)N(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CC1 ZINC000788494037 1077180497 /nfs/dbraw/zinc/18/04/97/1077180497.db2.gz MRCDQJFWMXXVDE-AWEZNQCLSA-N 0 0 415.240 2.540 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1F ZINC000788495033 1077181194 /nfs/dbraw/zinc/18/11/94/1077181194.db2.gz 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COC(=O)COc1ccc(/C=C2\N=C(c3cc(F)cc(F)c3)OC2=O)cc1[N+](=O)[O-] ZINC000788674150 1077245449 /nfs/dbraw/zinc/24/54/49/1077245449.db2.gz DDXGCRBELUVWGH-CPSFFCFKSA-N 0 0 418.308 2.769 20 5 HFBDRN COC(=O)COc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000788674913 1077246012 /nfs/dbraw/zinc/24/60/12/1077246012.db2.gz PQWDDCMMVWDCDJ-RIYZIHGNSA-N 0 0 400.318 2.630 20 5 HFBDRN CS(=O)(=O)C[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000790945779 1077251372 /nfs/dbraw/zinc/25/13/72/1077251372.db2.gz NAMJZCGALSEODZ-HNNXBMFYSA-N 0 0 414.842 2.832 20 5 HFBDRN C/C=C\C[C@@H](NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OCC ZINC000788671015 1077262179 /nfs/dbraw/zinc/26/21/79/1077262179.db2.gz XBFWMWQPLWTTGU-USEMIUTHSA-N 0 0 421.269 2.534 20 5 HFBDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000788706028 1077265435 /nfs/dbraw/zinc/26/54/35/1077265435.db2.gz IQJHYBRRCKIBKM-NSHDSACASA-N 0 0 411.461 2.995 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000746958619 1077270003 /nfs/dbraw/zinc/27/00/03/1077270003.db2.gz ZBMLWNJFUPJRMN-UHFFFAOYSA-N 0 0 408.407 2.779 20 5 HFBDRN Cc1c(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000791015603 1077271847 /nfs/dbraw/zinc/27/18/47/1077271847.db2.gz GQIRVNPJNOKSQQ-UHFFFAOYSA-N 0 0 423.878 2.881 20 5 HFBDRN Cc1c(CNC(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000791017621 1077272922 /nfs/dbraw/zinc/27/29/22/1077272922.db2.gz HUUTVJYOCVPANT-UHFFFAOYSA-N 0 0 415.450 2.850 20 5 HFBDRN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791035529 1077277954 /nfs/dbraw/zinc/27/79/54/1077277954.db2.gz LMMRALRMFAPTFF-UHFFFAOYSA-N 0 0 421.442 2.980 20 5 HFBDRN CCOC(=O)[C@H]1[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738899 1077286140 /nfs/dbraw/zinc/28/61/40/1077286140.db2.gz MCQMDHHPLJUOLG-DOTOQJQBSA-N 0 0 423.466 2.634 20 5 HFBDRN C[C@H]1OCC[C@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C[C@@H](C)O2 ZINC000791075392 1077291159 /nfs/dbraw/zinc/29/11/59/1077291159.db2.gz XJGRMVFWRZAUGB-ZOCZFRKYSA-N 0 0 403.479 2.994 20 5 HFBDRN COc1ccc(CN2C[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3F)CC2=O)cc1 ZINC000746972797 1077301295 /nfs/dbraw/zinc/30/12/95/1077301295.db2.gz NUULUIKVUSJUFY-HNNXBMFYSA-N 0 0 402.378 2.834 20 5 HFBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000788815958 1077306519 /nfs/dbraw/zinc/30/65/19/1077306519.db2.gz KGEJJWQMWQJXFC-UHFFFAOYSA-N 0 0 412.387 2.919 20 5 HFBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCCN(c4ccc([N+](=O)[O-])c5nonc54)CC3)nc2c1 ZINC000788862262 1077323484 /nfs/dbraw/zinc/32/34/84/1077323484.db2.gz QVBICLQFXOVLLZ-UHFFFAOYSA-N 0 0 424.377 2.632 20 5 HFBDRN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169038 1077325689 /nfs/dbraw/zinc/32/56/89/1077325689.db2.gz PITKYCLWGVMGMV-GOSISDBHSA-N 0 0 414.393 2.692 20 5 HFBDRN 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ZINC000791222605 1077334454 /nfs/dbraw/zinc/33/44/54/1077334454.db2.gz WWJFTQRTDSYZTO-UHFFFAOYSA-N 0 0 416.457 2.551 20 5 HFBDRN C[C@@H](Nc1ccc(C(=O)N[C@@H](C)c2nnnn2C2CC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000791227253 1077336007 /nfs/dbraw/zinc/33/60/07/1077336007.db2.gz JVPSJYJZCBZYGU-OLZOCXBDSA-N 0 0 422.449 2.975 20 5 HFBDRN CC(C)(C)N1C[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1=O ZINC000791233582 1077339194 /nfs/dbraw/zinc/33/91/94/1077339194.db2.gz CJQOXTACAFZBFA-LLVKDONJSA-N 0 0 424.295 2.889 20 5 HFBDRN CCc1nnc(C2CCN(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)[nH]1 ZINC000791208676 1077344176 /nfs/dbraw/zinc/34/41/76/1077344176.db2.gz NCKPAFDQUSDZTI-UHFFFAOYSA-N 0 0 402.411 2.820 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)NCc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000791214208 1077347061 /nfs/dbraw/zinc/34/70/61/1077347061.db2.gz AZMSVOWHJQIPKK-UHFFFAOYSA-N 0 0 402.426 2.567 20 5 HFBDRN CCOC(=O)c1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)c1 ZINC000788906485 1077347653 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O=C(CC[C@@H]1Cc2ccccc2NC1=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000746920649 1078047898 /nfs/dbraw/zinc/04/78/98/1078047898.db2.gz GKBKPMIVRAGTAZ-MRXNPFEDSA-N 0 0 423.425 2.618 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000793013023 1078048775 /nfs/dbraw/zinc/04/87/75/1078048775.db2.gz BHVNUNDTRMUKBV-CQSZACIVSA-N 0 0 405.451 2.633 20 5 HFBDRN O=C(COC(=O)CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000746919116 1078050526 /nfs/dbraw/zinc/05/05/26/1078050526.db2.gz RNWQPFYZFXTJRD-ZDUSSCGKSA-N 0 0 415.377 2.807 20 5 HFBDRN C[C@H](OC(=O)CCOc1cccc(C=O)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000746921301 1078054346 /nfs/dbraw/zinc/05/43/46/1078054346.db2.gz RLSAGBNUVRGXID-LBPRGKRZSA-N 0 0 404.350 2.886 20 5 HFBDRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000746920989 1078054914 /nfs/dbraw/zinc/05/49/14/1078054914.db2.gz ZSWTWLPGSCSENE-DNVCBOLYSA-N 0 0 423.425 2.835 20 5 HFBDRN CCc1nsc(N2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)n1 ZINC000790557952 1078055528 /nfs/dbraw/zinc/05/55/28/1078055528.db2.gz DLQFJNMTFCPPOR-UHFFFAOYSA-N 0 0 413.862 2.693 20 5 HFBDRN O=C(CC[C@H]1Cc2ccccc2NC1=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000746923661 1078056519 /nfs/dbraw/zinc/05/65/19/1078056519.db2.gz ILEVQXPZSCZOIK-INIZCTEOSA-N 0 0 423.425 2.618 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(C3(C)OCCO3)CC2)cc1[N+](=O)[O-] ZINC000793051392 1078056872 /nfs/dbraw/zinc/05/68/72/1078056872.db2.gz QBNXAIYEUIRYSN-UHFFFAOYSA-N 0 0 419.478 2.832 20 5 HFBDRN Cc1c(CNC(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000790564983 1078056913 /nfs/dbraw/zinc/05/69/13/1078056913.db2.gz RSOYBKLFMVBMNB-WMLDXEAASA-N 0 0 422.482 2.727 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000746933246 1078071284 /nfs/dbraw/zinc/07/12/84/1078071284.db2.gz LOQVYTSNDWFTIZ-GWCFXTLKSA-N 0 0 404.423 2.628 20 5 HFBDRN 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411.392 2.944 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2OCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000790842634 1078143867 /nfs/dbraw/zinc/14/38/67/1078143867.db2.gz HNOYFDPAVLJENG-MRXNPFEDSA-N 0 0 421.431 2.712 20 5 HFBDRN CCOC[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790842734 1078145178 /nfs/dbraw/zinc/14/51/78/1078145178.db2.gz JCIMCOYDESMXSW-ZDUSSCGKSA-N 0 0 401.441 2.557 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2ccc3c(c2)CCO3)c(C)c1[N+](=O)[O-] ZINC000790842873 1078145204 /nfs/dbraw/zinc/14/52/04/1078145204.db2.gz KOBOUJOIPDUJFY-UHFFFAOYSA-N 0 0 421.431 2.576 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](C)Oc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790843953 1078145502 /nfs/dbraw/zinc/14/55/02/1078145502.db2.gz RLNILAGXEYTDTL-NSHDSACASA-N 0 0 409.420 2.866 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000790847753 1078147398 /nfs/dbraw/zinc/14/73/98/1078147398.db2.gz DMALIFIYKANDQK-INIZCTEOSA-N 0 0 418.393 2.940 20 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413.452 2.602 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000790819957 1078155117 /nfs/dbraw/zinc/15/51/17/1078155117.db2.gz NNOAWCGAJTZSRE-INIZCTEOSA-N 0 0 422.463 2.701 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000790821777 1078156420 /nfs/dbraw/zinc/15/64/20/1078156420.db2.gz AEECSZJJUSPTLW-DZGCQCFKSA-N 0 0 403.460 2.768 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)c(C)c1[N+](=O)[O-] ZINC000790824291 1078157169 /nfs/dbraw/zinc/15/71/69/1078157169.db2.gz ULMPPOHDDLZOPJ-AWEZNQCLSA-N 0 0 408.436 2.984 20 5 HFBDRN CCOC(=O)N[C@@H](CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CC(C)C ZINC000790826214 1078158073 /nfs/dbraw/zinc/15/80/73/1078158073.db2.gz KGCQHDBQULFWIO-CQSZACIVSA-N 0 0 401.485 2.651 20 5 HFBDRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)no1 ZINC000790827218 1078158404 /nfs/dbraw/zinc/15/84/04/1078158404.db2.gz HBJGEQJXWQBPER-CYBMUJFWSA-N 0 0 410.408 2.942 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ZINC001170434313 1078212714 /nfs/dbraw/zinc/21/27/14/1078212714.db2.gz GNCPUSMXYAGUBL-UHFFFAOYSA-N 0 0 418.494 2.863 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747144734 1078262383 /nfs/dbraw/zinc/26/23/83/1078262383.db2.gz JSQFCHCHOHVBTC-UHFFFAOYSA-N 0 0 417.393 2.594 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@H]21 ZINC000793708376 1078276968 /nfs/dbraw/zinc/27/69/68/1078276968.db2.gz OXULXXKCNYWURA-ZIAGYGMSSA-N 0 0 418.450 2.792 20 5 HFBDRN CC(C)n1cnnc1CN(C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000793809981 1078314072 /nfs/dbraw/zinc/31/40/72/1078314072.db2.gz KZYHHUWUYVTLAP-UHFFFAOYSA-N 0 0 423.271 2.575 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000793971305 1078349713 /nfs/dbraw/zinc/34/97/13/1078349713.db2.gz LONBOZOOJFEHBA-HNNXBMFYSA-N 0 0 403.439 2.733 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000794038862 1078363793 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CCc1n[nH]c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000804669684 1078502168 /nfs/dbraw/zinc/50/21/68/1078502168.db2.gz VWRVTOUKIWHHQM-KBPBESRZSA-N 0 0 407.471 2.744 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000804443030 1078508497 /nfs/dbraw/zinc/50/84/97/1078508497.db2.gz ATBGBDMUNXNSJJ-WBVHZDCISA-N 0 0 402.495 2.614 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129495731 1078514676 /nfs/dbraw/zinc/51/46/76/1078514676.db2.gz IXDYEZPHGZHDGZ-UHFFFAOYSA-N 0 0 423.788 2.582 20 5 HFBDRN O=C(N[C@@H](C1CC1)C1CCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001129493136 1078512384 /nfs/dbraw/zinc/51/23/84/1078512384.db2.gz HMCCSNUGEKBXOY-RBUKOAKNSA-N 0 0 421.519 2.833 20 5 HFBDRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000804677659 1078513996 /nfs/dbraw/zinc/51/39/96/1078513996.db2.gz QFSYTRKKJDCCPU-INIZCTEOSA-N 0 0 409.487 2.658 20 5 HFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001129830591 1078524156 /nfs/dbraw/zinc/52/41/56/1078524156.db2.gz QQGQLVIDZJHZDO-LBPRGKRZSA-N 0 0 410.268 2.974 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000804451384 1078518192 /nfs/dbraw/zinc/51/81/92/1078518192.db2.gz ICDANQYEJNABQJ-NRFANRHFSA-N 0 0 408.458 2.725 20 5 HFBDRN CSc1cccc(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1[N+](=O)[O-] ZINC001129530844 1078522444 /nfs/dbraw/zinc/52/24/44/1078522444.db2.gz BLAQIZJKTKBVBJ-GFCCVEGCSA-N 0 0 411.480 2.682 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC000804683394 1078522574 /nfs/dbraw/zinc/52/25/74/1078522574.db2.gz KQCDJLJAYYVYMM-UHFFFAOYSA-N 0 0 403.357 2.585 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCCNS(=O)(=O)c1ccccc1Cl ZINC000804683404 1078522717 /nfs/dbraw/zinc/52/27/17/1078522717.db2.gz KQTULLTYKWAVCG-UHFFFAOYSA-N 0 0 414.827 2.937 20 5 HFBDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804467031 1078529457 /nfs/dbraw/zinc/52/94/57/1078529457.db2.gz VXEXYSKWVMQSLX-SFHVURJKSA-N 0 0 421.413 2.839 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000804692315 1078531983 /nfs/dbraw/zinc/53/19/83/1078531983.db2.gz JTFVMNBJAYPMKF-ZDUSSCGKSA-N 0 0 410.224 2.993 20 5 HFBDRN CN(Cc1cc([N+](=O)[O-])ccc1Br)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC001170452010 1078534635 /nfs/dbraw/zinc/53/46/35/1078534635.db2.gz QJKFQKVJJHSORQ-ZDUSSCGKSA-N 0 0 418.288 2.675 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CC[C@](C)(CNC(=O)OC(C)(C)C)C3)cc2n(C)c1=O ZINC000804694987 1078536821 /nfs/dbraw/zinc/53/68/21/1078536821.db2.gz YCMNYXQSRSDHGL-HXUWFJFHSA-N 0 0 419.482 2.526 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC[C@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000804696850 1078538932 /nfs/dbraw/zinc/53/89/32/1078538932.db2.gz RTARTEMGBPBASF-HXUWFJFHSA-N 0 0 406.483 2.897 20 5 HFBDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804493692 1078551247 /nfs/dbraw/zinc/55/12/47/1078551247.db2.gz GJKWGTJGXJNLQD-OLZOCXBDSA-N 0 0 419.482 2.525 20 5 HFBDRN CC1(C)[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@@H]1c1ccccc1 ZINC001129554951 1078545486 /nfs/dbraw/zinc/54/54/86/1078545486.db2.gz DGUPISINIRSLND-KXBFYZLASA-N 0 0 407.426 2.747 20 5 HFBDRN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804526837 1078565883 /nfs/dbraw/zinc/56/58/83/1078565883.db2.gz LTVIUOWDQQULBH-GXTWGEPZSA-N 0 0 419.869 2.838 20 5 HFBDRN COCC[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001129871103 1078568486 /nfs/dbraw/zinc/56/84/86/1078568486.db2.gz DVQHCRKOWBRZPU-SECBINFHSA-N 0 0 406.220 2.910 20 5 HFBDRN Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)c(O[C@@H]2CCOC2)c1 ZINC000804547310 1078573328 /nfs/dbraw/zinc/57/33/28/1078573328.db2.gz VAHSWVMXRBILEY-OAHLLOKOSA-N 0 0 412.446 2.873 20 5 HFBDRN CC(C)(C)OC(=O)N(CCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])OCc1ccccc1 ZINC001129907938 1078580051 /nfs/dbraw/zinc/58/00/51/1078580051.db2.gz LWKDBBMYLCDQQR-IAGOWNOFSA-N 0 0 407.467 2.917 20 5 HFBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C1(S(C)(=O)=O)CC1 ZINC000804543731 1078590800 /nfs/dbraw/zinc/59/08/00/1078590800.db2.gz XAMPSKUOYJMFQS-AWEZNQCLSA-N 0 0 409.508 2.527 20 5 HFBDRN Cc1ccc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c([N+](=O)[O-])c1Br ZINC000804776764 1078601348 /nfs/dbraw/zinc/60/13/48/1078601348.db2.gz GWLLWSUVNVYFQL-LBPRGKRZSA-N 0 0 420.329 2.774 20 5 HFBDRN O=C(CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O)N1CCSC[C@@H]1C1CCC1 ZINC001129900598 1078595624 /nfs/dbraw/zinc/59/56/24/1078595624.db2.gz HZOHYVPAULKAHR-OAHLLOKOSA-N 0 0 411.430 2.777 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC001129623238 1078598076 /nfs/dbraw/zinc/59/80/76/1078598076.db2.gz PICYYRZAORXDLC-GFCCVEGCSA-N 0 0 405.480 2.810 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001129627402 1078600410 /nfs/dbraw/zinc/60/04/10/1078600410.db2.gz UTJZARTXCXZVAB-NJAFHUGGSA-N 0 0 421.519 2.609 20 5 HFBDRN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804568311 1078603506 /nfs/dbraw/zinc/60/35/06/1078603506.db2.gz ZALBQNIPQFZCLJ-OLZOCXBDSA-N 0 0 419.482 2.525 20 5 HFBDRN O=C(CC(F)(F)F)NC[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000804779107 1078604607 /nfs/dbraw/zinc/60/46/07/1078604607.db2.gz REFVZMXBCQXDPA-NSHDSACASA-N 0 0 414.384 2.765 20 5 HFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804761858 1078614933 /nfs/dbraw/zinc/61/49/33/1078614933.db2.gz BMLPMRSYADIMMP-INIZCTEOSA-N 0 0 418.494 2.670 20 5 HFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000804792201 1078624532 /nfs/dbraw/zinc/62/45/32/1078624532.db2.gz PCKSMEDRXMFALA-GFCCVEGCSA-N 0 0 412.162 2.993 20 5 HFBDRN Cc1ccccc1[C@@H](O)C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000804810407 1078630442 /nfs/dbraw/zinc/63/04/42/1078630442.db2.gz GQLIEGTYNIFINT-SFHVURJKSA-N 0 0 405.476 2.501 20 5 HFBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000804800953 1078632265 /nfs/dbraw/zinc/63/22/65/1078632265.db2.gz QSYAXZVDXQTIFQ-OAHLLOKOSA-N 0 0 401.467 2.579 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)N(C[C@@H]3CCC(=O)N3)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC001129961977 1078636007 /nfs/dbraw/zinc/63/60/07/1078636007.db2.gz JZEPUQKCIIZOFU-SFHVURJKSA-N 0 0 413.478 2.586 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000804580547 1078636746 /nfs/dbraw/zinc/63/67/46/1078636746.db2.gz XNYAQXQDTZWWQU-UHFFFAOYSA-N 0 0 400.410 2.697 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000804811492 1078655765 /nfs/dbraw/zinc/65/57/65/1078655765.db2.gz VUBPSTPWCBGOBU-GXFFZTMASA-N 0 0 419.887 2.555 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)cc1Cl ZINC000804811494 1078655855 /nfs/dbraw/zinc/65/58/55/1078655855.db2.gz VUBPSTPWCBGOBU-ZWNOBZJWSA-N 0 0 419.887 2.555 20 5 HFBDRN C[C@H]1C[C@H](N2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813549 1078657748 /nfs/dbraw/zinc/65/77/48/1078657748.db2.gz RNPPLTPKKINEMR-RYUDHWBXSA-N 0 0 407.414 2.951 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CCC(O)(c4c(F)cccc4F)CC3)cc2n(C)c1=O ZINC000804623528 1078672250 /nfs/dbraw/zinc/67/22/50/1078672250.db2.gz BDGYMFDPIHXAMB-UHFFFAOYSA-N 0 0 418.400 2.551 20 5 HFBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804833824 1078673986 /nfs/dbraw/zinc/67/39/86/1078673986.db2.gz MPQKFSABYZWMAE-HNNXBMFYSA-N 0 0 406.483 2.735 20 5 HFBDRN COC[C@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCCN1C(=O)OC(C)(C)C ZINC000804838266 1078679362 /nfs/dbraw/zinc/67/93/62/1078679362.db2.gz VKAAMBFZSFYYAH-GOSISDBHSA-N 0 0 407.427 2.959 20 5 HFBDRN CNC(=O)c1ccc(N2CCC[C@H]2COC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000804840237 1078680401 /nfs/dbraw/zinc/68/04/01/1078680401.db2.gz CBCSFRNZRLXCMH-INIZCTEOSA-N 0 0 404.467 2.982 20 5 HFBDRN C[S@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)cc1 ZINC000804859742 1078684133 /nfs/dbraw/zinc/68/41/33/1078684133.db2.gz FCZKSCACXWQAAF-DEOSSOPVSA-N 0 0 412.265 2.561 20 5 HFBDRN O=C(NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000804645996 1078701104 /nfs/dbraw/zinc/70/11/04/1078701104.db2.gz JVTJWAQDSFAQQB-UHFFFAOYSA-N 0 0 412.780 2.889 20 5 HFBDRN Cc1cc(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000804646034 1078701135 /nfs/dbraw/zinc/70/11/35/1078701135.db2.gz LNVSNTKTBOJYNS-UHFFFAOYSA-N 0 0 405.842 2.502 20 5 HFBDRN CS(=O)(=O)c1c(F)cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001129761416 1078705191 /nfs/dbraw/zinc/70/51/91/1078705191.db2.gz LVUWHFOHOKYGLJ-UHFFFAOYSA-N 0 0 407.423 2.990 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000804634534 1078715301 /nfs/dbraw/zinc/71/53/01/1078715301.db2.gz WXSVISLFAAOERQ-ZFWWWQNUSA-N 0 0 416.434 2.586 20 5 HFBDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000804908441 1078730787 /nfs/dbraw/zinc/73/07/87/1078730787.db2.gz HSTCSPVVSDHOOR-NXEZZACHSA-N 0 0 409.443 2.849 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC001129749964 1078729863 /nfs/dbraw/zinc/72/98/63/1078729863.db2.gz GJIZGGDAKALDHU-HNNXBMFYSA-N 0 0 415.475 2.553 20 5 HFBDRN CCn1nc(C)c(CNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)n1 ZINC001129993099 1078760595 /nfs/dbraw/zinc/76/05/95/1078760595.db2.gz HUFONKXAWWUPAN-UHFFFAOYSA-N 0 0 424.248 2.937 20 5 HFBDRN Cc1nn(C)cc1S(=O)(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000804943704 1078770557 /nfs/dbraw/zinc/77/05/57/1078770557.db2.gz GSUUCKJZSURTSC-UHFFFAOYSA-N 0 0 416.415 2.657 20 5 HFBDRN CC(C)(C)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1[N+](=O)[O-] ZINC001130019578 1078774810 /nfs/dbraw/zinc/77/48/10/1078774810.db2.gz VICDWDPBDRGXDR-CQSZACIVSA-N 0 0 418.471 2.857 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000804931562 1078787630 /nfs/dbraw/zinc/78/76/30/1078787630.db2.gz YRQZBBCBJVUNOC-GOSISDBHSA-N 0 0 415.450 2.910 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804929074 1078785925 /nfs/dbraw/zinc/78/59/25/1078785925.db2.gz XUFWJGRSPDNPHF-AWEZNQCLSA-N 0 0 416.434 2.978 20 5 HFBDRN O=C(CSc1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC001130025831 1078796990 /nfs/dbraw/zinc/79/69/90/1078796990.db2.gz YUMKQBLCOXNWFQ-IBGZPJMESA-N 0 0 411.483 2.919 20 5 HFBDRN COc1ccccc1C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 ZINC001130028696 1078799906 /nfs/dbraw/zinc/79/99/06/1078799906.db2.gz MWCMEWRAFQEUQP-CYBMUJFWSA-N 0 0 413.405 2.901 20 5 HFBDRN C[C@H]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000804977392 1078812706 /nfs/dbraw/zinc/81/27/06/1078812706.db2.gz QCAOSRGQNYCKGO-HUBLWGQQSA-N 0 0 416.400 2.624 20 5 HFBDRN Cc1nc(S(=O)(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(Br)n1C ZINC000805047338 1078862112 /nfs/dbraw/zinc/86/21/12/1078862112.db2.gz WICCINPOAUUHOL-UHFFFAOYSA-N 0 0 415.269 2.541 20 5 HFBDRN O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001130067183 1078871067 /nfs/dbraw/zinc/87/10/67/1078871067.db2.gz IUZPGAFGFLLQMS-UHFFFAOYSA-N 0 0 421.356 2.683 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000805106487 1078890236 /nfs/dbraw/zinc/89/02/36/1078890236.db2.gz FWTNVDZMHSPVOE-HNNXBMFYSA-N 0 0 413.496 2.843 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000805107427 1078892500 /nfs/dbraw/zinc/89/25/00/1078892500.db2.gz UADNECIWGYYNFM-HNNXBMFYSA-N 0 0 413.496 2.843 20 5 HFBDRN 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ZINC000791766362 1077557354 /nfs/dbraw/zinc/55/73/54/1077557354.db2.gz KELZOMNEAAAKSU-CYBMUJFWSA-N 0 0 407.386 2.993 20 5 HFBDRN Cc1cnc(COC(=O)CNC(=O)NCc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] ZINC000789436837 1077572153 /nfs/dbraw/zinc/57/21/53/1077572153.db2.gz CBDUZKHEOUTDLO-UHFFFAOYSA-N 0 0 406.826 2.803 20 5 HFBDRN Cc1cnn(CCOC(=O)c2ccc([N+](=O)[O-])cc2I)c1 ZINC000791823193 1077573756 /nfs/dbraw/zinc/57/37/56/1077573756.db2.gz FHIVNLOMZJVHBO-UHFFFAOYSA-N 0 0 401.160 2.561 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000789441858 1077574637 /nfs/dbraw/zinc/57/46/37/1077574637.db2.gz DBNPDRLBSGGBPL-LBPRGKRZSA-N 0 0 405.329 2.813 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000789452101 1077579556 /nfs/dbraw/zinc/57/95/56/1077579556.db2.gz PVFAEHGOMYJWDR-CQSZACIVSA-N 0 0 408.455 2.969 20 5 HFBDRN CCOC(=O)C1(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000791842697 1077582190 /nfs/dbraw/zinc/58/21/90/1077582190.db2.gz DVMKTEZODGOJES-UHFFFAOYSA-N 0 0 419.434 2.523 20 5 HFBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ccn(CC(F)F)n1 ZINC000789482731 1077588132 /nfs/dbraw/zinc/58/81/32/1077588132.db2.gz OECWFTUDPMXNEJ-UHFFFAOYSA-N 0 0 423.113 2.880 20 5 HFBDRN COc1ccc(CC(=O)OCCc2cn(-c3ccccc3F)nn2)cc1[N+](=O)[O-] ZINC000789505576 1077599403 /nfs/dbraw/zinc/59/94/03/1077599403.db2.gz OIGZYJCPKMMULO-UHFFFAOYSA-N 0 0 400.366 2.652 20 5 HFBDRN COc1cc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O ZINC000791969210 1077614215 /nfs/dbraw/zinc/61/42/15/1077614215.db2.gz DCXRDUNUANVAGK-ZZXKWVIFSA-N 0 0 404.331 2.982 20 5 HFBDRN C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000791991287 1077623847 /nfs/dbraw/zinc/62/38/47/1077623847.db2.gz BHWIVWJRWNVYTO-LLVKDONJSA-N 0 0 408.388 2.753 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000791990849 1077628936 /nfs/dbraw/zinc/62/89/36/1077628936.db2.gz ILMHYDQEBADPGP-CYBMUJFWSA-N 0 0 405.455 2.706 20 5 HFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)OCc1ccc(I)c(Cl)c1 ZINC000791967208 1077639226 /nfs/dbraw/zinc/63/92/26/1077639226.db2.gz CIFVYCJUMUXSIB-UHFFFAOYSA-N 0 0 421.578 2.793 20 5 HFBDRN COc1cc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc(-n2cccn2)c1 ZINC000792001481 1077643244 /nfs/dbraw/zinc/64/32/44/1077643244.db2.gz HZHPZMFQIRSQRF-LJQANCHMSA-N 0 0 407.386 2.921 20 5 HFBDRN O=C(OCC[C@H]1CCCCN1C(=O)c1csc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000792067881 1077676445 /nfs/dbraw/zinc/67/64/45/1077676445.db2.gz YREDMZBBHBZBGY-CYBMUJFWSA-N 0 0 405.432 2.999 20 5 HFBDRN C[C@@]1(c2cccnc2Cl)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000789597746 1077703210 /nfs/dbraw/zinc/70/32/10/1077703210.db2.gz URHLWJZAPBADEX-INIZCTEOSA-N 0 0 405.754 2.519 20 5 HFBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000792092331 1077712757 /nfs/dbraw/zinc/71/27/57/1077712757.db2.gz YNCQGQYSQBDUTO-UHFFFAOYSA-N 0 0 405.428 2.963 20 5 HFBDRN CC(=CC(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000792132662 1077717620 /nfs/dbraw/zinc/71/76/20/1077717620.db2.gz FYTORRGWCKCQCO-RAXLEYEMSA-N 0 0 403.412 2.828 20 5 HFBDRN COc1ccc(OC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1[N+](=O)[O-] ZINC000792121096 1077728347 /nfs/dbraw/zinc/72/83/47/1077728347.db2.gz KNRDXNVLYBBWHY-UHFFFAOYSA-N 0 0 418.406 2.839 20 5 HFBDRN COc1ccc(CN2C[C@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000792122476 1077728477 /nfs/dbraw/zinc/72/84/77/1077728477.db2.gz XZBASUOMDZFDCW-CQSZACIVSA-N 0 0 400.387 2.566 20 5 HFBDRN COc1ccc(OC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000792123186 1077729446 /nfs/dbraw/zinc/72/94/46/1077729446.db2.gz CIMSJTWXAWXVHA-OAHLLOKOSA-N 0 0 414.414 2.826 20 5 HFBDRN O=C(c1ccccc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@H]1CO ZINC000789670673 1077735525 /nfs/dbraw/zinc/73/55/25/1077735525.db2.gz CRESLKBNLKVONT-HNNXBMFYSA-N 0 0 400.391 2.712 20 5 HFBDRN CN(C(=O)COC(=O)CC1(NC(=O)OC(C)(C)C)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000747059237 1077736236 /nfs/dbraw/zinc/73/62/36/1077736236.db2.gz PFAFDNPUIVLQAE-UHFFFAOYSA-N 0 0 421.450 2.938 20 5 HFBDRN COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789673035 1077736256 /nfs/dbraw/zinc/73/62/56/1077736256.db2.gz TZNIBFFAUMMUQN-JTQLQIEISA-N 0 0 420.353 2.546 20 5 HFBDRN CN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746849702 1077748737 /nfs/dbraw/zinc/74/87/37/1077748737.db2.gz DRDSTTFYNJDTLW-NSHDSACASA-N 0 0 413.274 2.849 20 5 HFBDRN Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789710602 1077749549 /nfs/dbraw/zinc/74/95/49/1077749549.db2.gz CESSTSXDTXJAII-KRWDZBQOSA-N 0 0 412.402 2.685 20 5 HFBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789712651 1077752353 /nfs/dbraw/zinc/75/23/53/1077752353.db2.gz SILGKIFUQWXYTO-HXUWFJFHSA-N 0 0 419.441 2.654 20 5 HFBDRN COC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000789718145 1077755477 /nfs/dbraw/zinc/75/54/77/1077755477.db2.gz ZKPIEAIIKHIWLY-SFHVURJKSA-N 0 0 405.338 2.850 20 5 HFBDRN O=C(COC(=O)c1cnn(-c2cccnc2)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000792211908 1077766207 /nfs/dbraw/zinc/76/62/07/1077766207.db2.gz ADCBPJRVHUIOJI-UHFFFAOYSA-N 0 0 401.766 2.624 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN(CCC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792215353 1077769024 /nfs/dbraw/zinc/76/90/24/1077769024.db2.gz KRFFUBQEUHJZNT-UHFFFAOYSA-N 0 0 420.510 2.889 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2CC1 ZINC000789737574 1077772964 /nfs/dbraw/zinc/77/29/64/1077772964.db2.gz PQLIOHWKEWHORT-UHFFFAOYSA-N 0 0 423.878 2.996 20 5 HFBDRN CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 ZINC000789783065 1077791933 /nfs/dbraw/zinc/79/19/33/1077791933.db2.gz BXLVOTTZRUFHDO-UHFFFAOYSA-N 0 0 415.410 2.985 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746859576 1077792725 /nfs/dbraw/zinc/79/27/25/1077792725.db2.gz MOUPBGGYMGBCBF-ZIAGYGMSSA-N 0 0 407.471 2.506 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747065152 1077808304 /nfs/dbraw/zinc/80/83/04/1077808304.db2.gz HJYHAWJJQSSLEY-CYBMUJFWSA-N 0 0 409.439 2.888 20 5 HFBDRN CC(C)c1nnc(CCC(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)o1 ZINC000747071325 1077859682 /nfs/dbraw/zinc/85/96/82/1077859682.db2.gz SUKCGXWRYIYKIA-UHFFFAOYSA-N 0 0 404.379 2.575 20 5 HFBDRN CCOC(=O)c1ccc(N(C(=N)N)c2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC001170167499 1077869162 /nfs/dbraw/zinc/86/91/62/1077869162.db2.gz KRTJNQKGBDDLRJ-UHFFFAOYSA-N 0 0 413.434 2.640 20 5 HFBDRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1C ZINC000789989247 1077888854 /nfs/dbraw/zinc/88/88/54/1077888854.db2.gz DDRBPEAAPOSSAH-OAQYLSRUSA-N 0 0 410.430 2.926 20 5 HFBDRN CCCCc1nc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C(=O)OCC)[nH]1 ZINC000792556839 1077902453 /nfs/dbraw/zinc/90/24/53/1077902453.db2.gz ZASAKDVNWCVPAD-UHFFFAOYSA-N 0 0 414.422 2.826 20 5 HFBDRN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000792567736 1077906985 /nfs/dbraw/zinc/90/69/85/1077906985.db2.gz QFRKUPQGZUNMHU-MSOLQXFVSA-N 0 0 406.460 2.630 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC1(C)CCOCC1 ZINC000790044717 1077909713 /nfs/dbraw/zinc/90/97/13/1077909713.db2.gz XTXNULZOVQBZSF-UHFFFAOYSA-N 0 0 407.286 2.761 20 5 HFBDRN CCC[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000792573667 1077919339 /nfs/dbraw/zinc/91/93/39/1077919339.db2.gz MKRYGWNMSMWCIQ-BEFAXECRSA-N 0 0 417.487 2.804 20 5 HFBDRN CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000790071290 1077921753 /nfs/dbraw/zinc/92/17/53/1077921753.db2.gz URXYSTAJOIMRPK-UHFFFAOYSA-N 0 0 420.466 2.947 20 5 HFBDRN CCc1[nH]nc(C(=O)OCc2nnc(-c3ccc(Br)o3)o2)c1[N+](=O)[O-] ZINC000790074424 1077922865 /nfs/dbraw/zinc/92/28/65/1077922865.db2.gz QDFIARVIAWCIBN-UHFFFAOYSA-N 0 0 412.156 2.643 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2)c1[N+](=O)[O-] ZINC000790075337 1077923522 /nfs/dbraw/zinc/92/35/22/1077923522.db2.gz ZTOVCNGSRJTFCZ-MRVPVSSYSA-N 0 0 411.212 2.827 20 5 HFBDRN COc1ccc(OC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000792588941 1077923747 /nfs/dbraw/zinc/92/37/47/1077923747.db2.gz CCVAOZQKRCYIOV-UHFFFAOYSA-N 0 0 406.294 2.511 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)c2cc(C)n(CC(F)(F)F)c2C)c1[N+](=O)[O-] ZINC000790079207 1077924995 /nfs/dbraw/zinc/92/49/95/1077924995.db2.gz QHHLTCHYWBPPFS-UHFFFAOYSA-N 0 0 402.329 2.901 20 5 HFBDRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000792590904 1077925270 /nfs/dbraw/zinc/92/52/70/1077925270.db2.gz UHJATNBGYKBSJK-QGZVFWFLSA-N 0 0 413.386 2.707 20 5 HFBDRN COC(=O)c1cc(NC(=O)COc2ccc3ccc(=O)oc3c2)c(C)c([N+](=O)[O-])c1 ZINC000792625789 1077946154 /nfs/dbraw/zinc/94/61/54/1077946154.db2.gz GVGGOPPCIIZMQZ-UHFFFAOYSA-N 0 0 412.354 2.814 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCOCC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170335145 1077946710 /nfs/dbraw/zinc/94/67/10/1077946710.db2.gz LQSBKAJOQHTDGD-OAHLLOKOSA-N 0 0 421.494 2.856 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCN(CCNC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170335981 1077947168 /nfs/dbraw/zinc/94/71/68/1077947168.db2.gz SMAPRDAWGXWPNT-MRXNPFEDSA-N 0 0 422.526 2.677 20 5 HFBDRN COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000792626463 1077947434 /nfs/dbraw/zinc/94/74/34/1077947434.db2.gz PXZXMIIDWHWQKP-ZDUSSCGKSA-N 0 0 415.377 2.821 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351644 1077956334 /nfs/dbraw/zinc/95/63/34/1077956334.db2.gz GNJWNXQXXKVZHJ-ZBFHGGJFSA-N 0 0 409.483 2.760 20 5 HFBDRN 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O=C(Nc1ccc(OS(=O)(=O)C[C@@H]2CCCOC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000792741734 1077981896 /nfs/dbraw/zinc/98/18/96/1077981896.db2.gz CDHXBUFTWMPILT-CQSZACIVSA-N 0 0 420.443 2.982 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCS(=O)(=O)c2ccccc2C1 ZINC000790277175 1077983110 /nfs/dbraw/zinc/98/31/10/1077983110.db2.gz NWPIXUIVXYBFOX-UHFFFAOYSA-N 0 0 410.835 2.829 20 5 HFBDRN COC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CCCO1 ZINC000790286285 1077985659 /nfs/dbraw/zinc/98/56/59/1077985659.db2.gz YBROYCGXVPAIPU-CMPLNLGQSA-N 0 0 407.648 2.935 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC(c2nnc3n2CCC3)CC1 ZINC000790266187 1077990627 /nfs/dbraw/zinc/99/06/27/1077990627.db2.gz DQIDKGXXZRGPEL-UHFFFAOYSA-N 0 0 405.842 2.957 20 5 HFBDRN O=C(CN1CCN(C(=O)NC2CCCCC2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000790312831 1077994436 /nfs/dbraw/zinc/99/44/36/1077994436.db2.gz SNPGRLWRPQLNLQ-UHFFFAOYSA-N 0 0 423.901 2.847 20 5 HFBDRN COc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc([N+](=O)[O-])c1C ZINC000790322260 1077996855 /nfs/dbraw/zinc/99/68/55/1077996855.db2.gz RPNWBUDVTPWQAX-UHFFFAOYSA-N 0 0 400.391 2.782 20 5 HFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000790329352 1077998072 /nfs/dbraw/zinc/99/80/72/1077998072.db2.gz YZMQFCDUZMKQQW-UHFFFAOYSA-N 0 0 404.398 2.761 20 5 HFBDRN COC(=O)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000790388932 1078012406 /nfs/dbraw/zinc/01/24/06/1078012406.db2.gz VGXNMTJVSAWGJX-CYBMUJFWSA-N 0 0 410.423 2.795 20 5 HFBDRN O=C(COC(=O)c1cnc(OCC2CC2)cn1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792842834 1078012988 /nfs/dbraw/zinc/01/29/88/1078012988.db2.gz MOCRNWGFXAWZRR-UHFFFAOYSA-N 0 0 406.782 2.623 20 5 HFBDRN COc1cc(Br)c(C[S@](=O)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000772821908 1078018078 /nfs/dbraw/zinc/01/80/78/1078018078.db2.gz ZODWWJHUONXNGQ-XMMPIXPASA-N 0 0 418.269 2.520 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Br)c[nH]c1=O ZINC000790402851 1078026487 /nfs/dbraw/zinc/02/64/87/1078026487.db2.gz IZZLBOCESYDNCN-UHFFFAOYSA-N 0 0 406.189 2.706 20 5 HFBDRN Cc1cc(S(=O)(=O)N2CCN(C)[C@@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000790461686 1078027587 /nfs/dbraw/zinc/02/75/87/1078027587.db2.gz VRYLBDOWHAYVHK-INIZCTEOSA-N 0 0 407.467 2.590 20 5 HFBDRN CCNC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000790428269 1078028291 /nfs/dbraw/zinc/02/82/91/1078028291.db2.gz HALJBPSPYJTJPX-GFCCVEGCSA-N 0 0 403.888 2.626 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000792956152 1078035168 /nfs/dbraw/zinc/03/51/68/1078035168.db2.gz OJGZORAJAJJXJD-UHFFFAOYSA-N 0 0 414.462 2.768 20 5 HFBDRN O=C(NCc1ccc(Cl)nc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000792963291 1078036808 /nfs/dbraw/zinc/03/68/08/1078036808.db2.gz QCKJGBNYKTYMDY-UHFFFAOYSA-N 0 0 413.615 2.661 20 5 HFBDRN CC(C)C(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000792965707 1078037223 /nfs/dbraw/zinc/03/72/23/1078037223.db2.gz IKZJEVMWXJYGQD-UHFFFAOYSA-N 0 0 418.494 2.594 20 5 HFBDRN CN1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000790458922 1078037851 /nfs/dbraw/zinc/03/78/51/1078037851.db2.gz GGPHEEUMKYEOTA-MRXNPFEDSA-N 0 0 409.895 2.796 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000790458335 1078038002 /nfs/dbraw/zinc/03/80/02/1078038002.db2.gz SFEMDLBKTCRGFW-MKBNYLNASA-N 0 0 404.872 2.514 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N(CCO)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000792986167 1078041278 /nfs/dbraw/zinc/04/12/78/1078041278.db2.gz MUFZQTRKDMGFBM-UHFFFAOYSA-N 0 0 413.474 2.894 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000747314790 1079529213 /nfs/dbraw/zinc/52/92/13/1079529213.db2.gz JYWUORZUAOSMIN-UHFFFAOYSA-N 0 0 423.466 2.989 20 5 HFBDRN COc1cc(CN2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000747321678 1079558883 /nfs/dbraw/zinc/55/88/83/1079558883.db2.gz ZOYZNXPKCRYISH-VMPITWQZSA-N 0 0 411.458 2.970 20 5 HFBDRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC001130586647 1079560667 /nfs/dbraw/zinc/56/06/67/1079560667.db2.gz RBHWYGHAQCOXQS-OAHLLOKOSA-N 0 0 418.425 2.706 20 5 HFBDRN CC[C@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)S1(=O)=O ZINC000806366949 1079653478 /nfs/dbraw/zinc/65/34/78/1079653478.db2.gz GFVCJARHSIRUPW-ONGXEEELSA-N 0 0 420.285 2.787 20 5 HFBDRN Cc1cc(=O)c(C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC001130624056 1079667283 /nfs/dbraw/zinc/66/72/83/1079667283.db2.gz XPQDGAZQBYPBFH-ROUUACIJSA-N 0 0 408.817 2.884 20 5 HFBDRN COC(=O)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H](OC)C1 ZINC001130631664 1079713811 /nfs/dbraw/zinc/71/38/11/1079713811.db2.gz VSVJCGJRUOERSM-NILFDRSVSA-N 0 0 400.378 2.550 20 5 HFBDRN COC(=O)c1cc(NC(=O)N2CCCC[C@H]2COC(=O)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000806460532 1079734501 /nfs/dbraw/zinc/73/45/01/1079734501.db2.gz SCHOQWATFXYHPF-AWEZNQCLSA-N 0 0 422.438 2.774 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000747339980 1079859463 /nfs/dbraw/zinc/85/94/63/1079859463.db2.gz RFKOHWCCVFENHY-CYBMUJFWSA-N 0 0 404.322 2.854 20 5 HFBDRN C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000806645172 1079900905 /nfs/dbraw/zinc/90/09/05/1079900905.db2.gz VZLNDXONDAZIKK-KSSFIOAISA-N 0 0 401.444 2.990 20 5 HFBDRN C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000806644869 1079900973 /nfs/dbraw/zinc/90/09/73/1079900973.db2.gz LVRFUCIFCNSHAR-KBXCAEBGSA-N 0 0 401.444 2.990 20 5 HFBDRN CN1CCN(C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)[C@@H](Cc2ccccc2)C1 ZINC001130751008 1080020144 /nfs/dbraw/zinc/02/01/44/1080020144.db2.gz ASWWDDZDEHDTCW-NRFANRHFSA-N 0 0 419.485 2.839 20 5 HFBDRN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130758552 1080044349 /nfs/dbraw/zinc/04/43/49/1080044349.db2.gz DJLAPTKYDAGVFZ-GOSISDBHSA-N 0 0 421.392 3.000 20 5 HFBDRN COc1ccc2cc(NC(=O)C(=O)NCCNc3ccccc3[N+](=O)[O-])ccc2c1 ZINC000806832317 1080045269 /nfs/dbraw/zinc/04/52/69/1080045269.db2.gz IHCWVTRUEHHMSS-UHFFFAOYSA-N 0 0 408.414 2.923 20 5 HFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000805272224 1080134436 /nfs/dbraw/zinc/13/44/36/1080134436.db2.gz IWWMNMRDRSZOGO-OAHLLOKOSA-N 0 0 423.775 2.928 20 5 HFBDRN COC(=O)c1c(C)csc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000806937520 1080145554 /nfs/dbraw/zinc/14/55/54/1080145554.db2.gz QBAXEILZDWJCNM-UHFFFAOYSA-N 0 0 411.823 2.660 20 5 HFBDRN C[C@H](COc1c(F)cccc1F)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001130810714 1080184199 /nfs/dbraw/zinc/18/41/99/1080184199.db2.gz IKJPCZSGMLUTEB-LLVKDONJSA-N 0 0 403.345 2.651 20 5 HFBDRN CCOc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC001130798367 1080185440 /nfs/dbraw/zinc/18/54/40/1080185440.db2.gz BFTKDJSLAWXSLS-UHFFFAOYSA-N 0 0 411.411 2.635 20 5 HFBDRN C[C@@H](CO)CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000807031841 1080224771 /nfs/dbraw/zinc/22/47/71/1080224771.db2.gz JHBPWGKNRKLWCA-LLVKDONJSA-N 0 0 400.273 2.834 20 5 HFBDRN O=C(N[C@@H]1CCC[C@@H]1CCO)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000807156226 1080314994 /nfs/dbraw/zinc/31/49/94/1080314994.db2.gz YYRMLBBAVDLRLB-IAQYHMDHSA-N 0 0 412.284 2.976 20 5 HFBDRN COCCCOc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000807293322 1080483991 /nfs/dbraw/zinc/48/39/91/1080483991.db2.gz SJUMHNPNLFTNQR-UHFFFAOYSA-N 0 0 421.837 2.918 20 5 HFBDRN O=C(NCCS(=O)(=O)Cc1ccccc1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000747391431 1080497563 /nfs/dbraw/zinc/49/75/63/1080497563.db2.gz WSOZJZFMFFLELF-UHFFFAOYSA-N 0 0 417.487 2.884 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)[C@@H]1C ZINC001130924171 1080523563 /nfs/dbraw/zinc/52/35/63/1080523563.db2.gz QSESYQQSESWJLC-APPDUMDISA-N 0 0 423.267 2.851 20 5 HFBDRN COC[C@@]1(C(=O)OC)CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001130914892 1080532079 /nfs/dbraw/zinc/53/20/79/1080532079.db2.gz SIKJRQXQELCAAZ-MRXNPFEDSA-N 0 0 402.856 2.521 20 5 HFBDRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cc([N+](=O)[O-])c1 ZINC001130932220 1080577748 /nfs/dbraw/zinc/57/77/48/1080577748.db2.gz UHLMKFJJXVUJOH-BEFAXECRSA-N 0 0 413.478 2.755 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000807492936 1080683766 /nfs/dbraw/zinc/68/37/66/1080683766.db2.gz VKNVLHRUWIKAEM-UHFFFAOYSA-N 0 0 400.391 2.746 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000807521533 1080775213 /nfs/dbraw/zinc/77/52/13/1080775213.db2.gz HBSQQSVCZOEDJY-GFCCVEGCSA-N 0 0 409.801 2.527 20 5 HFBDRN Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164672659 719521608 /nfs/dbraw/zinc/52/16/08/719521608.db2.gz MJQNITBAXASCBG-UHFFFAOYSA-N 0 0 401.442 2.583 20 5 HFBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3onc(Cn4ccnc4)c3C2)c1 ZINC001164678259 719564421 /nfs/dbraw/zinc/56/44/21/719564421.db2.gz 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ZINC000790741953 1078122229 /nfs/dbraw/zinc/12/22/29/1078122229.db2.gz HSGUPXOYYAWBMM-UHFFFAOYSA-N 0 0 424.768 2.898 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCCn1cnc2ccccc2c1=O ZINC000790744621 1078122885 /nfs/dbraw/zinc/12/28/85/1078122885.db2.gz VMTWNGMNWVHQDF-UHFFFAOYSA-N 0 0 405.769 2.883 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000790744869 1078122918 /nfs/dbraw/zinc/12/29/18/1078122918.db2.gz DFGPGLWDUOPBLR-ZBFHGGJFSA-N 0 0 414.817 2.643 20 5 HFBDRN COC(=O)c1cnc(N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000790778246 1078131178 /nfs/dbraw/zinc/13/11/78/1078131178.db2.gz OHXIUNNAHNDVFG-OKILXGFUSA-N 0 0 406.439 2.755 20 5 HFBDRN C[C@@H](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[S@](C)=O ZINC000790781502 1078132592 /nfs/dbraw/zinc/13/25/92/1078132592.db2.gz XWSYOALEQRIIRG-JUZXBQNTSA-N 0 0 418.313 2.582 20 5 HFBDRN Cc1ncsc1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790842781 1078144949 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BUYONDFIKWTMSS-NRFANRHFSA-N 0 0 413.430 2.891 20 5 HFBDRN Cc1c(C(=O)N(CCO)Cc2cccnc2Cl)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000794330828 1078415676 /nfs/dbraw/zinc/41/56/76/1078415676.db2.gz FJAGJHIFBSXDLF-UHFFFAOYSA-N 0 0 408.798 2.803 20 5 HFBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCNC(=O)[C@H]1c1ccc(Br)cc1 ZINC000794357712 1078424312 /nfs/dbraw/zinc/42/43/12/1078424312.db2.gz UQTAPDUPDNILQT-OAHLLOKOSA-N 0 0 422.210 2.810 20 5 HFBDRN O=C(NCCn1cc(Br)ccc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001129409615 1078442320 /nfs/dbraw/zinc/44/23/20/1078442320.db2.gz NTODXPZWQBRHQF-UHFFFAOYSA-N 0 0 400.616 2.602 20 5 HFBDRN CNC(=O)Nc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1F ZINC000804398116 1078461913 /nfs/dbraw/zinc/46/19/13/1078461913.db2.gz BBWGXQHHGUYZLP-INIZCTEOSA-N 0 0 401.354 2.617 20 5 HFBDRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001129438886 1078465326 /nfs/dbraw/zinc/46/53/26/1078465326.db2.gz NBNHKQFNDVCQBV-CYBMUJFWSA-N 0 0 415.487 2.565 20 5 HFBDRN C[C@@H]1Oc2ccc(C(=O)C3CCN(c4ccc(N)cc4[N+](=O)[O-])CC3)cc2NC1=O ZINC000804425132 1078471958 /nfs/dbraw/zinc/47/19/58/1078471958.db2.gz MGVVZEGWVDKZDN-LBPRGKRZSA-N 0 0 410.430 2.996 20 5 HFBDRN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804659588 1078494348 /nfs/dbraw/zinc/49/43/48/1078494348.db2.gz FELZJUQESTXELN-CYBMUJFWSA-N 0 0 402.407 2.542 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)n1 ZINC000804668369 1078498966 /nfs/dbraw/zinc/49/89/66/1078498966.db2.gz PRVNJQRJICLLGP-CABCVRRESA-N 0 0 407.471 2.674 20 5 HFBDRN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439946 1078504788 /nfs/dbraw/zinc/50/47/88/1078504788.db2.gz ODPFDEGPEGLATE-IEBWSBKVSA-N 0 0 416.522 2.766 20 5 HFBDRN Cc1ccc(NCCS(=O)(=O)NCC2CCC2)c([N+](=O)[O-])c1Br ZINC000804444169 1078509776 /nfs/dbraw/zinc/50/97/76/1078509776.db2.gz PLUTVSWWSLUDLA-UHFFFAOYSA-N 0 0 406.302 2.797 20 5 HFBDRN 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COC(=O)N1CCC(CNC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000804687520 1078548031 /nfs/dbraw/zinc/54/80/31/1078548031.db2.gz AYELUIAMPMSBFX-UHFFFAOYSA-N 0 0 401.872 2.935 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC001129877657 1078549954 /nfs/dbraw/zinc/54/99/54/1078549954.db2.gz RNCBGUTVBGNQLH-JYJNAYRXSA-N 0 0 423.535 2.807 20 5 HFBDRN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cc2n(n1)CCCC2=O ZINC001129882614 1078554736 /nfs/dbraw/zinc/55/47/36/1078554736.db2.gz NQDTWKMWPBPDKW-CQSZACIVSA-N 0 0 400.288 2.940 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc(N3CCOCC3)ncn1)CC2 ZINC000804703477 1078567131 /nfs/dbraw/zinc/56/71/31/1078567131.db2.gz MEWXOHJXZWWOGX-UHFFFAOYSA-N 0 0 420.267 2.547 20 5 HFBDRN Cc1ccc(Br)cc1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129610281 1078580809 /nfs/dbraw/zinc/58/08/09/1078580809.db2.gz LADDIXPNYMDNFI-UHFFFAOYSA-N 0 0 419.279 2.952 20 5 HFBDRN CCc1ccc(N2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])CC2)cc1Cl ZINC000804777567 1078601809 /nfs/dbraw/zinc/60/18/09/1078601809.db2.gz AGMTUBZBSZNSIB-UHFFFAOYSA-N 0 0 424.910 2.785 20 5 HFBDRN CCc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)CC2)cc1Cl ZINC000804777689 1078601933 /nfs/dbraw/zinc/60/19/33/1078601933.db2.gz DCMYLCAWBLAVSS-UHFFFAOYSA-N 0 0 424.910 2.785 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001129627401 1078600432 /nfs/dbraw/zinc/60/04/32/1078600432.db2.gz UTJZARTXCXZVAB-BPQIPLTHSA-N 0 0 421.519 2.609 20 5 HFBDRN C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804568309 1078603428 /nfs/dbraw/zinc/60/34/28/1078603428.db2.gz ZALBQNIPQFZCLJ-CHWSQXEVSA-N 0 0 419.482 2.525 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747212067 1078622502 /nfs/dbraw/zinc/62/25/02/1078622502.db2.gz QNQHEHPJVDUTOY-OAHLLOKOSA-N 0 0 406.483 2.761 20 5 HFBDRN CO[C@@H]1C[C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCC2 ZINC001129666609 1078626830 /nfs/dbraw/zinc/62/68/30/1078626830.db2.gz DWAQBOHAXIJBJX-LSDHHAIUSA-N 0 0 403.464 2.562 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000804801230 1078632255 /nfs/dbraw/zinc/63/22/55/1078632255.db2.gz ZACLBMQUWULZBO-WCBMZHEXSA-N 0 0 418.340 2.588 20 5 HFBDRN Nc1ccc(NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000804579557 1078634750 /nfs/dbraw/zinc/63/47/50/1078634750.db2.gz QZKGVJXFPTZVKX-UHFFFAOYSA-N 0 0 408.455 2.971 20 5 HFBDRN Nc1ccc([N+](=O)[O-])c(NCCNS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000804789869 1078648502 /nfs/dbraw/zinc/64/85/02/1078648502.db2.gz TVDBSWVRONWGMO-UHFFFAOYSA-N 0 0 405.263 2.874 20 5 HFBDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804790202 1078648935 /nfs/dbraw/zinc/64/89/35/1078648935.db2.gz BGQKWFHABOKGTO-XHDPSFHLSA-N 0 0 423.413 2.535 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000804606407 1078650467 /nfs/dbraw/zinc/65/04/67/1078650467.db2.gz LQSRPDUBDMQJKD-AWEZNQCLSA-N 0 0 406.420 2.914 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1nc(C2CCOCC2)cs1 ZINC000804818744 1078659822 /nfs/dbraw/zinc/65/98/22/1078659822.db2.gz WTMWUSSJXFRFRC-UHFFFAOYSA-N 0 0 421.431 2.784 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)c1 ZINC000747216513 1078661604 /nfs/dbraw/zinc/66/16/04/1078661604.db2.gz WZTXWHJAIAITQT-UHFFFAOYSA-N 0 0 408.474 2.656 20 5 HFBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000804598985 1078666138 /nfs/dbraw/zinc/66/61/38/1078666138.db2.gz HMJAJWSTMNERMD-STQMWFEESA-N 0 0 419.482 2.525 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804834220 1078675404 /nfs/dbraw/zinc/67/54/04/1078675404.db2.gz BYVBBPZSCPPNNW-GOSISDBHSA-N 0 0 420.510 2.873 20 5 HFBDRN C[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1csnn1 ZINC001129974139 1078680765 /nfs/dbraw/zinc/68/07/65/1078680765.db2.gz 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XHRQWPKKWLIWEC-MRXNPFEDSA-N 0 0 419.409 2.973 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000804641573 1078728524 /nfs/dbraw/zinc/72/85/24/1078728524.db2.gz CKMYDMQYYJHSLQ-UONOGXRCSA-N 0 0 416.434 2.586 20 5 HFBDRN O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001130025090 1078796575 /nfs/dbraw/zinc/79/65/75/1078796575.db2.gz HSIABASQEFAYRS-SFHVURJKSA-N 0 0 415.396 2.919 20 5 HFBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000805028473 1078840750 /nfs/dbraw/zinc/84/07/50/1078840750.db2.gz GBRUNGJYLZCXKS-IKGGRYGDSA-N 0 0 423.560 2.530 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)NC3(c4ccccc4C)CC3)cc2[N+](=O)[O-])CC1 ZINC001130063612 1078862872 /nfs/dbraw/zinc/86/28/72/1078862872.db2.gz FSLGKHVSSCFBNZ-UHFFFAOYSA-N 0 0 422.485 2.991 20 5 HFBDRN COc1ccc(S(=O)(=O)N(C)c2ccc3c(C)cc(=O)oc3c2)cc1[N+](=O)[O-] ZINC000805112625 1078897788 /nfs/dbraw/zinc/89/77/88/1078897788.db2.gz BULGJYAQUWJQSQ-UHFFFAOYSA-N 0 0 404.400 2.843 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000805117143 1078902346 /nfs/dbraw/zinc/90/23/46/1078902346.db2.gz GVGCSHAJEGQNNA-HNNXBMFYSA-N 0 0 413.496 2.891 20 5 HFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121420 1078915087 /nfs/dbraw/zinc/91/50/87/1078915087.db2.gz CTCYDMDZITWXDZ-INIZCTEOSA-N 0 0 418.393 2.809 20 5 HFBDRN COc1ccc(Br)c(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000747233453 1078965318 /nfs/dbraw/zinc/96/53/18/1078965318.db2.gz IYISOSHYKXUOIY-UHFFFAOYSA-N 0 0 416.205 2.946 20 5 HFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCc2cc(Cl)nnc2C1 ZINC001130157930 1079025322 /nfs/dbraw/zinc/02/53/22/1079025322.db2.gz CKCQHTPYMQCWAE-UHFFFAOYSA-N 0 0 408.867 2.975 20 5 HFBDRN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001130179486 1079039430 /nfs/dbraw/zinc/03/94/30/1079039430.db2.gz QFKRBMIOVXGZQR-HXUWFJFHSA-N 0 0 408.458 2.872 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1c(C)cc(C)nc1OC ZINC000805446395 1079069307 /nfs/dbraw/zinc/06/93/07/1079069307.db2.gz PFNSISJMCZRGCV-UHFFFAOYSA-N 0 0 404.375 2.559 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1ccncc1)C(=O)OC(C)(C)C ZINC001130217552 1079095355 /nfs/dbraw/zinc/09/53/55/1079095355.db2.gz COLRLJFSULFSAB-INIZCTEOSA-N 0 0 401.419 2.681 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)c2c(F)ccc([N+](=O)[O-])c2F)cc1 ZINC000805487872 1079104064 /nfs/dbraw/zinc/10/40/64/1079104064.db2.gz XWFDTKTVOYDIEO-UHFFFAOYSA-N 0 0 401.343 2.512 20 5 HFBDRN CN1C(=O)N[C@](C)(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1=O ZINC001130225553 1079108718 /nfs/dbraw/zinc/10/87/18/1079108718.db2.gz ARVLJCPZHFISLU-GOSISDBHSA-N 0 0 402.794 2.897 20 5 HFBDRN C[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001130259448 1079147856 /nfs/dbraw/zinc/14/78/56/1079147856.db2.gz DOZRGOVHFDTFCW-UTUOFQBUSA-N 0 0 400.273 2.585 20 5 HFBDRN CCCCOC(=O)C(C)(C)NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001130251720 1079141062 /nfs/dbraw/zinc/14/10/62/1079141062.db2.gz GPYGXWCSHARTCD-UHFFFAOYSA-N 0 0 407.423 2.521 20 5 HFBDRN CC(C)(C)OC(=O)CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1CCC1 ZINC001130314398 1079208834 /nfs/dbraw/zinc/20/88/34/1079208834.db2.gz BCHHXKZMGXQCRG-KRWDZBQOSA-N 0 0 403.435 2.811 20 5 HFBDRN Cc1cnnn1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001130333327 1079222350 /nfs/dbraw/zinc/22/23/50/1079222350.db2.gz UDEWWICKROLNIU-CYBMUJFWSA-N 0 0 424.392 2.615 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)NCC(F)(F)Br)cc1[N+](=O)[O-] ZINC000805235139 1079235028 /nfs/dbraw/zinc/23/50/28/1079235028.db2.gz HIDLDOLTLFKWDV-UHFFFAOYSA-N 0 0 422.211 2.592 20 5 HFBDRN COc1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC001130396887 1079278547 /nfs/dbraw/zinc/27/85/47/1079278547.db2.gz IALZLQSOWVLCOE-IBGZPJMESA-N 0 0 409.442 2.793 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000805816666 1079289130 /nfs/dbraw/zinc/28/91/30/1079289130.db2.gz JUNWNSLIVPLIIG-UHFFFAOYSA-N 0 0 413.434 2.805 20 5 HFBDRN COc1cc(N2CCC(OC(=O)COCc3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000805886260 1079338595 /nfs/dbraw/zinc/33/85/95/1079338595.db2.gz UCZMMDYCKKPLKP-UHFFFAOYSA-N 0 0 401.419 2.727 20 5 HFBDRN COc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)NCc2ccccn2)cc1SC ZINC000805960969 1079377216 /nfs/dbraw/zinc/37/72/16/1079377216.db2.gz WVUJKPMOZWEPBS-LLVKDONJSA-N 0 0 405.432 2.582 20 5 HFBDRN C[C@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCc1ccccn1 ZINC000805962137 1079377868 /nfs/dbraw/zinc/37/78/68/1079377868.db2.gz NLKRQEKLYDGSFY-JTQLQIEISA-N 0 0 408.208 2.614 20 5 HFBDRN C[C@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCCc1ccncc1 ZINC000805980395 1079384963 /nfs/dbraw/zinc/38/49/63/1079384963.db2.gz YWLPUXCPNONRQF-NSHDSACASA-N 0 0 422.235 2.657 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000747291032 1079388993 /nfs/dbraw/zinc/38/89/93/1079388993.db2.gz RSHWIDHHDMHCCO-UHFFFAOYSA-N 0 0 419.475 2.905 20 5 HFBDRN CNc1c(C(=O)OCCc2c(C)nc(-c3ccccn3)[nH]c2=O)cccc1[N+](=O)[O-] ZINC000806018616 1079392730 /nfs/dbraw/zinc/39/27/30/1079392730.db2.gz YAMXJGSPGFPWRB-UHFFFAOYSA-N 0 0 409.402 2.902 20 5 HFBDRN COC(=O)c1cccc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)c1OC ZINC001130486532 1079411655 /nfs/dbraw/zinc/41/16/55/1079411655.db2.gz UBLWZZCFFQWOPD-UHFFFAOYSA-N 0 0 414.349 2.967 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001130529530 1079465839 /nfs/dbraw/zinc/46/58/39/1079465839.db2.gz VLVWMJURGOYYFP-ZFWWWQNUSA-N 0 0 409.487 2.642 20 5 HFBDRN CC1(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)OCCO1 ZINC000746671477 1076742915 /nfs/dbraw/zinc/74/29/15/1076742915.db2.gz YTQBNFPJTGCMBZ-UHFFFAOYSA-N 0 0 424.397 2.777 20 5 HFBDRN COc1cccc2[nH]cc(CCNC(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c21 ZINC000787309201 1076756470 /nfs/dbraw/zinc/75/64/70/1076756470.db2.gz HADDGOSNUODDEG-UHFFFAOYSA-N 0 0 412.450 2.870 20 5 HFBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000787455075 1076817836 /nfs/dbraw/zinc/81/78/36/1076817836.db2.gz RZMAJECHBMBQJO-HLLBOEOZSA-N 0 0 419.478 2.529 20 5 HFBDRN CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2Br)CC1 ZINC000787534926 1076851403 /nfs/dbraw/zinc/85/14/03/1076851403.db2.gz DMBKWTDIHZGALH-UHFFFAOYSA-N 0 0 408.256 2.690 20 5 HFBDRN O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772703171 1076865018 /nfs/dbraw/zinc/86/50/18/1076865018.db2.gz FSNHTCPNSDELKS-SFHVURJKSA-N 0 0 417.849 2.656 20 5 HFBDRN C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nnnn1C1CCCCC1 ZINC000787565510 1076866194 /nfs/dbraw/zinc/86/61/94/1076866194.db2.gz HJZPRBBJPIIHAW-CYBMUJFWSA-N 0 0 416.438 2.511 20 5 HFBDRN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)O[C@H](C)c2nnnn2C)n1 ZINC000787579954 1076871022 /nfs/dbraw/zinc/87/10/22/1076871022.db2.gz HPIVFNJRODRLIL-SECBINFHSA-N 0 0 406.449 2.952 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000787660429 1076901761 /nfs/dbraw/zinc/90/17/61/1076901761.db2.gz GIRJGEWIFKQDEZ-GFCCVEGCSA-N 0 0 405.252 2.948 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)c1nnnn1C1CCCCC1 ZINC000787684817 1076910957 /nfs/dbraw/zinc/91/09/57/1076910957.db2.gz IVQUPMASZHHJMB-LLVKDONJSA-N 0 0 403.395 2.776 20 5 HFBDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000787718971 1076925174 /nfs/dbraw/zinc/92/51/74/1076925174.db2.gz LKJSTMPUQYQRDD-PIIMJCKOSA-N 0 0 402.428 2.891 20 5 HFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787739116 1076936918 /nfs/dbraw/zinc/93/69/18/1076936918.db2.gz LREGLNFFQCQRMR-PISHQANHSA-N 0 0 422.821 2.983 20 5 HFBDRN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000787818518 1076952856 /nfs/dbraw/zinc/95/28/56/1076952856.db2.gz OONGOGLOVPYCJY-DLBZAZTESA-N 0 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COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H](O)COc1c(C)cccc1C ZINC000746720114 1077017099 /nfs/dbraw/zinc/01/70/99/1077017099.db2.gz PTOGDVFDSHYHQD-CQSZACIVSA-N 0 0 419.390 2.758 20 5 HFBDRN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1OC ZINC000787940463 1077017850 /nfs/dbraw/zinc/01/78/50/1077017850.db2.gz UHIOQZZJAJNJQP-GFCCVEGCSA-N 0 0 420.393 2.921 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000787995100 1077022540 /nfs/dbraw/zinc/02/25/40/1077022540.db2.gz MDKBXZZPFZDKGV-HXUWFJFHSA-N 0 0 404.467 2.669 20 5 HFBDRN COC(=O)NCCc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000788015452 1077029182 /nfs/dbraw/zinc/02/91/82/1077029182.db2.gz CBTRWNGZNIAQCK-UHFFFAOYSA-N 0 0 400.434 2.631 20 5 HFBDRN COC(=O)c1sccc1COC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000787983777 1077031768 /nfs/dbraw/zinc/03/17/68/1077031768.db2.gz PMDUALCGDMAIAB-UHFFFAOYSA-N 0 0 420.399 2.874 20 5 HFBDRN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2)c1 ZINC000787984379 1077032331 /nfs/dbraw/zinc/03/23/31/1077032331.db2.gz YSEYBHVTXISYDO-NSHDSACASA-N 0 0 411.378 2.791 20 5 HFBDRN COC(=O)NCCc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2C)s1 ZINC000788065192 1077048200 /nfs/dbraw/zinc/04/82/00/1077048200.db2.gz BFVOXYOYLYEFDA-UHFFFAOYSA-N 0 0 400.434 2.631 20 5 HFBDRN C[C@H](C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCc2ccccc21 ZINC000788139367 1077063168 /nfs/dbraw/zinc/06/31/68/1077063168.db2.gz XHTLJVDWBIXASG-CQSZACIVSA-N 0 0 411.414 2.887 20 5 HFBDRN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1cccc(C2OCCO2)c1 ZINC000788214131 1077081023 /nfs/dbraw/zinc/08/10/23/1077081023.db2.gz QKETXHYDQQWEEM-UHFFFAOYSA-N 0 0 405.794 2.662 20 5 HFBDRN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000788216923 1077081222 /nfs/dbraw/zinc/08/12/22/1077081222.db2.gz PRFBALOGFGOAMZ-UHFFFAOYSA-N 0 0 404.853 2.843 20 5 HFBDRN Cn1nccc1[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000788386534 1077138845 /nfs/dbraw/zinc/13/88/45/1077138845.db2.gz LDXDCNQKZKVEJO-LJQANCHMSA-N 0 0 404.386 2.855 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1F ZINC000788468518 1077169625 /nfs/dbraw/zinc/16/96/25/1077169625.db2.gz DVUWYMAYQGIBOP-UHFFFAOYSA-N 0 0 413.858 2.894 20 5 HFBDRN CC(=O)Nc1ccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000788555243 1077199663 /nfs/dbraw/zinc/19/96/63/1077199663.db2.gz RNIRDWNJDVKUFH-UHFFFAOYSA-N 0 0 418.353 2.854 20 5 HFBDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC000788570953 1077209371 /nfs/dbraw/zinc/20/93/71/1077209371.db2.gz HMTHBHDZHRZMQB-UHFFFAOYSA-N 0 0 404.492 2.915 20 5 HFBDRN CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000788589008 1077214391 /nfs/dbraw/zinc/21/43/91/1077214391.db2.gz CAEKJJSWCJBNIU-HZSPNIEDSA-N 0 0 406.435 2.821 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1[N+](=O)[O-] ZINC000790925284 1077234113 /nfs/dbraw/zinc/23/41/13/1077234113.db2.gz NTEMEXNDBLAMRN-UHFFFAOYSA-N 0 0 410.379 2.785 20 5 HFBDRN COC(=O)c1sc(S(=O)(=O)NCCc2ccccc2[N+](=O)[O-])c(C)c1Cl ZINC000788635386 1077239295 /nfs/dbraw/zinc/23/92/95/1077239295.db2.gz CWNMFHYWRRNEQG-UHFFFAOYSA-N 0 0 418.880 2.926 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000788679636 1077248317 /nfs/dbraw/zinc/24/83/17/1077248317.db2.gz XCTOIWVMKSRYGJ-QGZVFWFLSA-N 0 0 409.851 2.718 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000790916589 1077248515 /nfs/dbraw/zinc/24/85/15/1077248515.db2.gz STYYQWLTETXQMW-HNNXBMFYSA-N 0 0 412.851 2.717 20 5 HFBDRN C[C@@H](Oc1cccc(C=O)c1)C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000746756603 1077250555 /nfs/dbraw/zinc/25/05/55/1077250555.db2.gz QBTBZEXDQMRAKT-NWDGAFQWSA-N 0 0 404.350 2.884 20 5 HFBDRN C[C@@H](OC(=O)[C@H](C)Oc1cccc(C=O)c1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000746756601 1077250633 /nfs/dbraw/zinc/25/06/33/1077250633.db2.gz QBTBZEXDQMRAKT-NEPJUHHUSA-N 0 0 404.350 2.884 20 5 HFBDRN CCC[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OCC ZINC000788708477 1077266170 /nfs/dbraw/zinc/26/61/70/1077266170.db2.gz CPNVLTORZNHZRA-SNVBAGLBSA-N 0 0 423.285 2.615 20 5 HFBDRN Cc1c(CNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)cccc1[N+](=O)[O-] ZINC000791016497 1077272340 /nfs/dbraw/zinc/27/23/40/1077272340.db2.gz QIRBPVDPXACMRI-NRFANRHFSA-N 0 0 413.430 2.605 20 5 HFBDRN Cc1c(CNC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000791017049 1077273155 /nfs/dbraw/zinc/27/31/55/1077273155.db2.gz BPOVIIZANUQKAY-UHFFFAOYSA-N 0 0 403.338 2.522 20 5 HFBDRN Cc1c(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cccc1[N+](=O)[O-] ZINC000791021370 1077274384 /nfs/dbraw/zinc/27/43/84/1077274384.db2.gz OLFOLGUZHGLRJR-AWEZNQCLSA-N 0 0 418.431 2.794 20 5 HFBDRN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000791028836 1077276205 /nfs/dbraw/zinc/27/62/05/1077276205.db2.gz KTCHTKDDPVXSPW-YLQAJVPDSA-N 0 0 401.369 2.898 20 5 HFBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC2(CCOCC2)O1 ZINC000791057973 1077285730 /nfs/dbraw/zinc/28/57/30/1077285730.db2.gz CBOARNNBAIKYSE-INIZCTEOSA-N 0 0 403.479 2.995 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000788745079 1077287709 /nfs/dbraw/zinc/28/77/09/1077287709.db2.gz DHBOIYDLYGMKJX-SFHVURJKSA-N 0 0 412.446 2.546 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000746973572 1077293072 /nfs/dbraw/zinc/29/30/72/1077293072.db2.gz TUXIOYQITUVSJG-UHFFFAOYSA-N 0 0 412.395 2.861 20 5 HFBDRN COc1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c([N+](=O)[O-])cc1OC(F)F ZINC000791129543 1077296320 /nfs/dbraw/zinc/29/63/20/1077296320.db2.gz LZULILKQPKHDGI-UHFFFAOYSA-N 0 0 423.284 2.909 20 5 HFBDRN COc1ccc(CN2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3F)CC2=O)cc1 ZINC000746972801 1077301312 /nfs/dbraw/zinc/30/13/12/1077301312.db2.gz NUULUIKVUSJUFY-OAHLLOKOSA-N 0 0 402.378 2.834 20 5 HFBDRN O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000791148570 1077308373 /nfs/dbraw/zinc/30/83/73/1077308373.db2.gz IYZIELAYFVAGBM-CQSZACIVSA-N 0 0 400.416 2.520 20 5 HFBDRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])cnc2C)cn1 ZINC000791135842 1077316285 /nfs/dbraw/zinc/31/62/85/1077316285.db2.gz PYLYTUOJGYXXCT-HXUWFJFHSA-N 0 0 409.446 2.891 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cccc2c1OCC[C@@H]2OC ZINC000791188727 1077318756 /nfs/dbraw/zinc/31/87/56/1077318756.db2.gz OIYYHVKDQFEWDP-INIZCTEOSA-N 0 0 416.386 2.903 20 5 HFBDRN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791169041 1077325679 /nfs/dbraw/zinc/32/56/79/1077325679.db2.gz PITKYCLWGVMGMV-SFHVURJKSA-N 0 0 414.393 2.692 20 5 HFBDRN O=C(CNC(=O)c1cccs1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791174779 1077328018 /nfs/dbraw/zinc/32/80/18/1077328018.db2.gz OMIURBJUKCJNQI-UHFFFAOYSA-N 0 0 424.276 2.734 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000791221968 1077334506 /nfs/dbraw/zinc/33/45/06/1077334506.db2.gz HVXYLWMAXLHLRX-UHFFFAOYSA-N 0 0 410.409 2.714 20 5 HFBDRN CCOCCO[C@@H](C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791233510 1077339212 /nfs/dbraw/zinc/33/92/12/1077339212.db2.gz AGFYLJZTUBWFEP-NSHDSACASA-N 0 0 401.257 2.684 20 5 HFBDRN Cc1nn2cccnc2c1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791235837 1077339740 /nfs/dbraw/zinc/33/97/40/1077339740.db2.gz UEWGFSLGTQAAKL-UHFFFAOYSA-N 0 0 416.235 2.907 20 5 HFBDRN CNC(=O)c1cncc(/C=C\C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000791250654 1077348617 /nfs/dbraw/zinc/34/86/17/1077348617.db2.gz FQBHRHSTIFYAEL-IHWYPQMZSA-N 0 0 405.208 2.764 20 5 HFBDRN Cc1nn(C)c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1[N+](=O)[O-] ZINC000791251393 1077348827 /nfs/dbraw/zinc/34/88/27/1077348827.db2.gz WDYHKUSCCPHZQI-UHFFFAOYSA-N 0 0 424.211 2.506 20 5 HFBDRN COc1ccc(C(=O)NCC(=O)OCc2ccc(-n3ccnc3)cc2C)cc1[N+](=O)[O-] ZINC000791259404 1077350679 /nfs/dbraw/zinc/35/06/79/1077350679.db2.gz RSWKTTPTLJEDOI-UHFFFAOYSA-N 0 0 424.413 2.571 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000791261972 1077351006 /nfs/dbraw/zinc/35/10/06/1077351006.db2.gz NABLGPNLZKDIFV-UHFFFAOYSA-N 0 0 424.500 2.692 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788949547 1077358416 /nfs/dbraw/zinc/35/84/16/1077358416.db2.gz OQNDYWJKAFZFIB-HNNXBMFYSA-N 0 0 403.460 2.604 20 5 HFBDRN CCOc1ccc(C(=O)OCCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000791296837 1077360182 /nfs/dbraw/zinc/36/01/82/1077360182.db2.gz DYTHNZGRFBTWIT-UHFFFAOYSA-N 0 0 422.459 2.612 20 5 HFBDRN COc1ccccc1-c1nnc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1N ZINC000788955225 1077362038 /nfs/dbraw/zinc/36/20/38/1077362038.db2.gz SXURQHUIYJCDOE-UHFFFAOYSA-N 0 0 402.392 2.776 20 5 HFBDRN O=C(OCc1cn(-c2ccccc2Br)nn1)c1ccc([N+](=O)[O-])cn1 ZINC000791279713 1077367920 /nfs/dbraw/zinc/36/79/20/1077367920.db2.gz SRYYSVYXUNCJOK-UHFFFAOYSA-N 0 0 404.180 2.690 20 5 HFBDRN NC(=O)c1cccc(Oc2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cn2)c1 ZINC000791342231 1077380103 /nfs/dbraw/zinc/38/01/03/1077380103.db2.gz FSSKHUWNCNNLJY-UHFFFAOYSA-N 0 0 411.349 2.855 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000791345431 1077381083 /nfs/dbraw/zinc/38/10/83/1077381083.db2.gz VNCVVLDWCBHSIN-LBPRGKRZSA-N 0 0 410.446 2.787 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)nc1 ZINC000747001054 1077382978 /nfs/dbraw/zinc/38/29/78/1077382978.db2.gz IRDHIIWUMOANDK-VIFPVBQESA-N 0 0 424.207 2.945 20 5 HFBDRN Cc1ccnc(COC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000791314168 1077383269 /nfs/dbraw/zinc/38/32/69/1077383269.db2.gz LLYIYEPVHWGGNQ-GOSISDBHSA-N 0 0 419.459 2.585 20 5 HFBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CCN1C(=O)OC(C)(C)C ZINC000791371141 1077384789 /nfs/dbraw/zinc/38/47/89/1077384789.db2.gz HPSDGAIUVWVEEZ-GFCCVEGCSA-N 0 0 410.446 2.881 20 5 HFBDRN COc1cccc(-c2noc([C@H](C)NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)n2)c1 ZINC000791377764 1077387169 /nfs/dbraw/zinc/38/71/69/1077387169.db2.gz VRTPTOQNVTYLDY-VIFPVBQESA-N 0 0 401.354 2.866 20 5 HFBDRN CN(C)CC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1 ZINC000791378589 1077387527 /nfs/dbraw/zinc/38/75/27/1077387527.db2.gz LSHUWLKAWUDEFG-UHFFFAOYSA-N 0 0 403.414 2.552 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000791378343 1077387561 /nfs/dbraw/zinc/38/75/61/1077387561.db2.gz JGJCCGUXQVTGEP-UHFFFAOYSA-N 0 0 414.437 2.527 20 5 HFBDRN COc1ccccc1CN1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791348446 1077389989 /nfs/dbraw/zinc/38/99/89/1077389989.db2.gz FXXGXZZXBNFKPB-UHFFFAOYSA-N 0 0 416.453 2.767 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000789043793 1077392572 /nfs/dbraw/zinc/39/25/72/1077392572.db2.gz UENNNYXQHSXVEW-ZDUSSCGKSA-N 0 0 413.217 2.755 20 5 HFBDRN CCN1C(=S)N=NC1C1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791360980 1077393327 /nfs/dbraw/zinc/39/33/27/1077393327.db2.gz VYPGSMQOJIAFTG-UHFFFAOYSA-N 0 0 422.486 2.720 20 5 HFBDRN CCc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000747010511 1077399804 /nfs/dbraw/zinc/39/98/04/1077399804.db2.gz KYGDBKROUVKPIQ-LBPRGKRZSA-N 0 0 420.443 2.957 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000747010512 1077399858 /nfs/dbraw/zinc/39/98/58/1077399858.db2.gz LAUPQEUYLCXYFO-INIZCTEOSA-N 0 0 411.458 2.957 20 5 HFBDRN COc1cc(COC(=O)c2ccc3c(c2)NC(=O)CO3)c([N+](=O)[O-])cc1OC(F)F ZINC000791409295 1077401914 /nfs/dbraw/zinc/40/19/14/1077401914.db2.gz JTUKBIXKPVOHAM-UHFFFAOYSA-N 0 0 424.312 2.893 20 5 HFBDRN CC[C@]1(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCOC1 ZINC000791415818 1077403367 /nfs/dbraw/zinc/40/33/67/1077403367.db2.gz SXJKWUOYFSLJGU-IBGZPJMESA-N 0 0 420.443 2.661 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(-n3cnnn3)c2)c(Cl)cc1Cl ZINC000791419168 1077404008 /nfs/dbraw/zinc/40/40/08/1077404008.db2.gz WXLPVYRLAJBGIP-UHFFFAOYSA-N 0 0 416.202 2.645 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000747012101 1077408638 /nfs/dbraw/zinc/40/86/38/1077408638.db2.gz MNXFUSDYSCHYBF-UHFFFAOYSA-N 0 0 413.430 2.720 20 5 HFBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnn1CC1CCCC1 ZINC000789181390 1077426802 /nfs/dbraw/zinc/42/68/02/1077426802.db2.gz HIGLYCBFWRYFOF-ZDUSSCGKSA-N 0 0 401.423 2.869 20 5 HFBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)nnn1CC1CCCC1 ZINC000789181161 1077427351 /nfs/dbraw/zinc/42/73/51/1077427351.db2.gz CCQPKPKUUSHUGZ-ZDUSSCGKSA-N 0 0 401.423 2.869 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000791487769 1077427336 /nfs/dbraw/zinc/42/73/36/1077427336.db2.gz DGLOKFOTGCMFET-NSHDSACASA-N 0 0 406.414 2.705 20 5 HFBDRN Cc1c(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnn1CC1CCCC1 ZINC000789183276 1077428442 /nfs/dbraw/zinc/42/84/42/1077428442.db2.gz NUDZFDGHLBLRJS-UHFFFAOYSA-N 0 0 405.386 2.620 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c1Br ZINC000789141072 1077431391 /nfs/dbraw/zinc/43/13/91/1077431391.db2.gz SZZNWFRCQUBQRY-QMMMGPOBSA-N 0 0 411.212 2.827 20 5 HFBDRN C[C@@H](OC(=O)c1nc(Br)cs1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000791475480 1077447399 /nfs/dbraw/zinc/44/73/99/1077447399.db2.gz MMNZEGHNCJEAHQ-SSDOTTSWSA-N 0 0 400.210 2.998 20 5 HFBDRN Cc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnn1CC1CCCC1 ZINC000789190489 1077453306 /nfs/dbraw/zinc/45/33/06/1077453306.db2.gz VHCQLRJJJBXSKD-UHFFFAOYSA-N 0 0 401.423 2.789 20 5 HFBDRN O=C(COC(=O)c1ccc(O[C@H]2CCOC2)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000789205740 1077461615 /nfs/dbraw/zinc/46/16/15/1077461615.db2.gz PADUBCRZMVVYCR-SFHVURJKSA-N 0 0 412.398 2.509 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789206881 1077462020 /nfs/dbraw/zinc/46/20/20/1077462020.db2.gz UVZLLQJZIZLJLS-KRWDZBQOSA-N 0 0 400.387 2.866 20 5 HFBDRN C[C@H]1[C@H](C(F)(F)F)CCN1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000791582410 1077471618 /nfs/dbraw/zinc/47/16/18/1077471618.db2.gz GCUJCYNMAZDJPG-XJKSGUPXSA-N 0 0 400.401 2.516 20 5 HFBDRN Cc1cc(=O)c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccccc1 ZINC000791554795 1077476712 /nfs/dbraw/zinc/47/67/12/1077476712.db2.gz PWVSUHPTCLHHIN-UHFFFAOYSA-N 0 0 410.342 2.714 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cn(C)nc1-c1ccoc1 ZINC000789257947 1077477473 /nfs/dbraw/zinc/47/74/73/1077477473.db2.gz DFVCLLDQQSNVTE-LLVKDONJSA-N 0 0 414.374 2.781 20 5 HFBDRN COc1cccc(C2=NO[C@H](C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000791567046 1077483167 /nfs/dbraw/zinc/48/31/67/1077483167.db2.gz PZDIAXMSEVLRHX-SFHVURJKSA-N 0 0 407.386 2.921 20 5 HFBDRN COCc1cccc(COC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 ZINC000747025271 1077501270 /nfs/dbraw/zinc/50/12/70/1077501270.db2.gz WJPDFIYCFQNIII-HNNXBMFYSA-N 0 0 402.378 2.977 20 5 HFBDRN Cn1cc(C(=O)OCCn2cc([N+](=O)[O-])ccc2=O)c(-c2ccc(Cl)s2)n1 ZINC000789297874 1077504589 /nfs/dbraw/zinc/50/45/89/1077504589.db2.gz YUXWMTHSACFTIM-UHFFFAOYSA-N 0 0 408.823 2.729 20 5 HFBDRN Cc1cc(C)nc(-n2nccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000789313346 1077510950 /nfs/dbraw/zinc/51/09/50/1077510950.db2.gz LLBAMDJQVHQSHK-UHFFFAOYSA-N 0 0 422.449 2.541 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)c1ccncc1Cl ZINC000791628907 1077519523 /nfs/dbraw/zinc/51/95/23/1077519523.db2.gz ZKGPNVQOQHKAOH-UHFFFAOYSA-N 0 0 419.777 2.757 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NC(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C2=O)c(C)c1 ZINC000789324826 1077520181 /nfs/dbraw/zinc/52/01/81/1077520181.db2.gz NSVHEMWGRQLRMJ-SFHVURJKSA-N 0 0 421.457 2.791 20 5 HFBDRN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccncc1Cl ZINC000791676108 1077525289 /nfs/dbraw/zinc/52/52/89/1077525289.db2.gz NMKOLRKSPPRXGW-SNVBAGLBSA-N 0 0 421.768 2.561 20 5 HFBDRN O=C(CCOCC(F)(F)C(F)F)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000791686200 1077528032 /nfs/dbraw/zinc/52/80/32/1077528032.db2.gz XBVRMFKXABFFLL-GFCCVEGCSA-N 0 0 408.304 2.550 20 5 HFBDRN CCOc1cccc(CNC(=O)COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000791690724 1077530011 /nfs/dbraw/zinc/53/00/11/1077530011.db2.gz UZXRDPCGGFSRHD-UHFFFAOYSA-N 0 0 402.403 2.784 20 5 HFBDRN COc1cc(C(=O)OCC(=O)NCCO[C@H]2CCCC[C@H]2C)cc([N+](=O)[O-])c1C ZINC000791692752 1077530756 /nfs/dbraw/zinc/53/07/56/1077530756.db2.gz FTUMUDFIPIHTQC-DYVFJYSZSA-N 0 0 408.451 2.780 20 5 HFBDRN Cc1cnn(CCOC(=O)c2cc([N+](=O)[O-])ccc2I)c1 ZINC000791718776 1077538419 /nfs/dbraw/zinc/53/84/19/1077538419.db2.gz LSQBKILWNQPDEN-UHFFFAOYSA-N 0 0 401.160 2.561 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000791720122 1077538721 /nfs/dbraw/zinc/53/87/21/1077538721.db2.gz RGIPZUROSFUAIV-UHFFFAOYSA-N 0 0 401.400 2.541 20 5 HFBDRN CCOC(=O)C1(CC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)CCC1 ZINC000789364234 1077539772 /nfs/dbraw/zinc/53/97/72/1077539772.db2.gz VIQWOVUHQRHUJQ-UHFFFAOYSA-N 0 0 405.451 2.873 20 5 HFBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2cnn(C)n2)cc1 ZINC000791720738 1077539845 /nfs/dbraw/zinc/53/98/45/1077539845.db2.gz VEJCPLZBQKZLDB-UHFFFAOYSA-N 0 0 412.358 2.564 20 5 HFBDRN CCOc1cc(N2CCC(OC(=O)c3cncc(OC)n3)CC2)ccc1[N+](=O)[O-] ZINC000791816009 1077565296 /nfs/dbraw/zinc/56/52/96/1077565296.db2.gz KHULNDPTXGKBLU-UHFFFAOYSA-N 0 0 402.407 2.618 20 5 HFBDRN O=c1c2ccc[nH]c-2cn1CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000789476889 1077568847 /nfs/dbraw/zinc/56/88/47/1077568847.db2.gz GFOVHMNKRHWFSF-UHFFFAOYSA-N 0 0 403.236 2.724 20 5 HFBDRN COc1cc(N2CCC(OC(=O)c3ccn(CC(F)F)n3)CC2)ccc1[N+](=O)[O-] ZINC000789431281 1077569892 /nfs/dbraw/zinc/56/98/92/1077569892.db2.gz FRXTYEJHYJTNSR-UHFFFAOYSA-N 0 0 410.377 2.891 20 5 HFBDRN O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789443712 1077575545 /nfs/dbraw/zinc/57/55/45/1077575545.db2.gz QSHPEOCQJMGGSJ-UHFFFAOYSA-N 0 0 404.373 2.951 20 5 HFBDRN Cc1cnc(COC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c(C)c1[N+](=O)[O-] ZINC000789445965 1077577046 /nfs/dbraw/zinc/57/70/46/1077577046.db2.gz ZNXKEXQDDNSHMI-LBPRGKRZSA-N 0 0 405.357 2.981 20 5 HFBDRN CCOC(=O)C1(CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000791832414 1077577583 /nfs/dbraw/zinc/57/75/83/1077577583.db2.gz GKNWRWKUISIHBF-CYBMUJFWSA-N 0 0 423.491 2.501 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c(C)c1[N+](=O)[O-] ZINC000789445314 1077577689 /nfs/dbraw/zinc/57/76/89/1077577689.db2.gz DYIGFCQRNAJFIZ-KBPBESRZSA-N 0 0 400.435 2.972 20 5 HFBDRN CC[C@]1(C)CC(=O)N(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1=O ZINC000789477729 1077584615 /nfs/dbraw/zinc/58/46/15/1077584615.db2.gz IBFBPBXSYIWGOJ-QGZVFWFLSA-N 0 0 410.268 2.848 20 5 HFBDRN O=C(OCCc1cn(-c2ccccc2F)nn1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000789509045 1077601696 /nfs/dbraw/zinc/60/16/96/1077601696.db2.gz OIZUOWDOPURBCF-UHFFFAOYSA-N 0 0 422.376 2.900 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000746821267 1077609182 /nfs/dbraw/zinc/60/91/82/1077609182.db2.gz GYOIOPDYZPMVCK-HNNXBMFYSA-N 0 0 406.483 2.746 20 5 HFBDRN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccnn1C ZINC000791920363 1077611677 /nfs/dbraw/zinc/61/16/77/1077611677.db2.gz AKHFGRNKXZZIGK-QMMMGPOBSA-N 0 0 401.160 2.851 20 5 HFBDRN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789529662 1077625041 /nfs/dbraw/zinc/62/50/41/1077625041.db2.gz LNBDRPSHXVFMTE-KRWDZBQOSA-N 0 0 416.865 2.920 20 5 HFBDRN Cc1c(NC(=O)[C@@H](C)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789532145 1077626347 /nfs/dbraw/zinc/62/63/47/1077626347.db2.gz YMCBAFINLOSITB-OXQOHEQNSA-N 0 0 410.474 2.963 20 5 HFBDRN Cc1nn(CCC(=O)N2CCCC[C@@H]2C(=O)OCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000791962355 1077635376 /nfs/dbraw/zinc/63/53/76/1077635376.db2.gz HHANYZOUXRMVJO-GOSISDBHSA-N 0 0 414.462 2.923 20 5 HFBDRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000772739862 1077636274 /nfs/dbraw/zinc/63/62/74/1077636274.db2.gz FXOGOJHLEMBUBX-DZGCQCFKSA-N 0 0 421.450 2.690 20 5 HFBDRN O=C(Oc1ccc2c(c1)C(=O)NC2)c1cc([N+](=O)[O-])ccc1I ZINC000789545633 1077637985 /nfs/dbraw/zinc/63/79/85/1077637985.db2.gz QOFGVHZDLFHTBZ-UHFFFAOYSA-N 0 0 424.150 2.662 20 5 HFBDRN C[C@H]1C(=O)Nc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2N1C ZINC000791996549 1077641352 /nfs/dbraw/zinc/64/13/52/1077641352.db2.gz TVYBLEOVFLNBJK-JTQLQIEISA-N 0 0 400.347 2.637 20 5 HFBDRN CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC[C@H]1CCC(C)(C)O1 ZINC000792023381 1077655238 /nfs/dbraw/zinc/65/52/38/1077655238.db2.gz COXKKJXUAWAQDM-HZPDHXFCSA-N 0 0 410.492 2.947 20 5 HFBDRN C[C@@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000792063636 1077670555 /nfs/dbraw/zinc/67/05/55/1077670555.db2.gz NGVRWLGIHILVBI-OAHLLOKOSA-N 0 0 406.483 2.715 20 5 HFBDRN C[C@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000789587512 1077671471 /nfs/dbraw/zinc/67/14/71/1077671471.db2.gz GWACEJKGXVWTDE-QGZVFWFLSA-N 0 0 406.301 2.748 20 5 HFBDRN O=C(CN1CCCC1=O)Nc1cccc(OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000789598236 1077702861 /nfs/dbraw/zinc/70/28/61/1077702861.db2.gz XFYSUKAYEWOAMW-UHFFFAOYSA-N 0 0 414.374 2.643 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OC[C@@H](C)C2CC2)CC1 ZINC000789605519 1077706727 /nfs/dbraw/zinc/70/67/27/1077706727.db2.gz DZKNREUYVYLMQV-CQSZACIVSA-N 0 0 410.492 2.893 20 5 HFBDRN COC[C@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000789605613 1077706772 /nfs/dbraw/zinc/70/67/72/1077706772.db2.gz NQFPSVLMBJVIRN-HNNXBMFYSA-N 0 0 405.838 2.903 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F ZINC000746835244 1077706845 /nfs/dbraw/zinc/70/68/45/1077706845.db2.gz OGOHGFIQELCAJO-OAHLLOKOSA-N 0 0 419.381 2.825 20 5 HFBDRN CC(C)(C)OC(=O)NCCC(N)=NOCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789646152 1077717974 /nfs/dbraw/zinc/71/79/74/1077717974.db2.gz ZGRSKGUORQYVBT-UHFFFAOYSA-N 0 0 415.834 2.600 20 5 HFBDRN COc1ccc(OC(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000792121404 1077728319 /nfs/dbraw/zinc/72/83/19/1077728319.db2.gz XRAALOTUHWQGRD-AWEZNQCLSA-N 0 0 410.423 2.925 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000789697288 1077732942 /nfs/dbraw/zinc/73/29/42/1077732942.db2.gz BIUDEHYZYRWMFB-UHFFFAOYSA-N 0 0 419.195 2.594 20 5 HFBDRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792170897 1077733354 /nfs/dbraw/zinc/73/33/54/1077733354.db2.gz SERKNJXEXHGBQM-CYBMUJFWSA-N 0 0 407.379 2.803 20 5 HFBDRN CCOC(=O)c1cc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000789673548 1077737230 /nfs/dbraw/zinc/73/72/30/1077737230.db2.gz UUTNMNALNXLOTP-UHFFFAOYSA-N 0 0 423.403 2.695 20 5 HFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000789731017 1077742160 /nfs/dbraw/zinc/74/21/60/1077742160.db2.gz YEQSSENHNPBBIT-UHFFFAOYSA-N 0 0 420.179 2.742 20 5 HFBDRN O=C(Cn1ccc([N+](=O)[O-])n1)Oc1ccc(Oc2ncc(Br)cn2)cc1 ZINC000789730980 1077742178 /nfs/dbraw/zinc/74/21/78/1077742178.db2.gz WEZDCMUSJMWWFW-UHFFFAOYSA-N 0 0 420.179 2.742 20 5 HFBDRN CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789712650 1077752268 /nfs/dbraw/zinc/75/22/68/1077752268.db2.gz SILGKIFUQWXYTO-FQEVSTJZSA-N 0 0 419.441 2.654 20 5 HFBDRN Cc1nc(Br)ccc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000792313894 1077802753 /nfs/dbraw/zinc/80/27/53/1077802753.db2.gz QGPMSAFVZKVEAO-UHFFFAOYSA-N 0 0 407.224 2.624 20 5 HFBDRN COCCN(CCc1ccccc1)Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000747077458 1077865323 /nfs/dbraw/zinc/86/53/23/1077865323.db2.gz XGIKAKGSMAGCKH-UHFFFAOYSA-N 0 0 408.458 2.967 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2 ZINC000792501330 1077869479 /nfs/dbraw/zinc/86/94/79/1077869479.db2.gz YOTQATOQGDXYAD-UHFFFAOYSA-N 0 0 420.466 2.949 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000792473145 1077872537 /nfs/dbraw/zinc/87/25/37/1077872537.db2.gz ORDAJJLGJLJLEP-ZYHUDNBSSA-N 0 0 415.240 2.506 20 5 HFBDRN COc1cc(COC(=O)c2ccc(F)c(S(C)(=O)=O)c2)c([N+](=O)[O-])cc1F ZINC000792476129 1077873996 /nfs/dbraw/zinc/87/39/96/1077873996.db2.gz OWWQDNWLNHGFHW-UHFFFAOYSA-N 0 0 401.343 2.642 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000792511878 1077880418 /nfs/dbraw/zinc/88/04/18/1077880418.db2.gz BSSVMKRLQNAZAW-GFCCVEGCSA-N 0 0 409.345 2.671 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N2CC(C)(F)C2)cc1 ZINC000792526066 1077887233 /nfs/dbraw/zinc/88/72/33/1077887233.db2.gz LFMIWNFYHNQBLP-UHFFFAOYSA-N 0 0 408.407 2.855 20 5 HFBDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2=O)cc1C ZINC000789988854 1077889765 /nfs/dbraw/zinc/88/97/65/1077889765.db2.gz BHWRBKYTCUBZLP-FQEVSTJZSA-N 0 0 414.393 2.756 20 5 HFBDRN O=C(Oc1cnn(Cc2ccccc2)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000792559220 1077903109 /nfs/dbraw/zinc/90/31/09/1077903109.db2.gz MNZXJZVHRZFCLX-MRXNPFEDSA-N 0 0 410.386 2.643 20 5 HFBDRN COc1cc2c(c(OC)c1)S(=O)(=O)N(Cc1cc(Cl)ccc1[N+](=O)[O-])C2=O ZINC000790038562 1077907441 /nfs/dbraw/zinc/90/74/41/1077907441.db2.gz HKAVHYSPMYAWLA-UHFFFAOYSA-N 0 0 412.807 2.610 20 5 HFBDRN CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2cc([N+](=O)[O-])c3nncn3c2)OC(C)(C)O1 ZINC001170210622 1077908133 /nfs/dbraw/zinc/90/81/33/1077908133.db2.gz QRLWHWQSIXKFJS-KGLIPLIRSA-N 0 0 421.454 2.691 20 5 HFBDRN O=c1[nH]c2nc(=O)[nH]c(Nc3cc([N+](=O)[O-])cc4cc(Br)cnc43)c2[nH]1 ZINC001170217354 1077909786 /nfs/dbraw/zinc/90/97/86/1077909786.db2.gz HSYQRYQKKILHCU-UHFFFAOYSA-N 0 0 418.167 2.678 20 5 HFBDRN CCn1cc(OC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cn1 ZINC000792574474 1077913834 /nfs/dbraw/zinc/91/38/34/1077913834.db2.gz BMEURCWISZHQLL-UHFFFAOYSA-N 0 0 417.399 2.798 20 5 HFBDRN O=C(c1c[nH]nc1[N+](=O)[O-])N1CC2(CCOCC2)c2ccc(Br)cc21 ZINC001170228918 1077917985 /nfs/dbraw/zinc/91/79/85/1077917985.db2.gz NWJIAWMPNNQALF-UHFFFAOYSA-N 0 0 407.224 2.789 20 5 HFBDRN CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000792591156 1077925046 /nfs/dbraw/zinc/92/50/46/1077925046.db2.gz ZULRMYXFHOGWID-GFCCVEGCSA-N 0 0 408.432 2.899 20 5 HFBDRN COC(=O)[C@H](COCc1ccccc1)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313807 1077940891 /nfs/dbraw/zinc/94/08/91/1077940891.db2.gz RNKPADNEYRGEFE-BEFAXECRSA-N 0 0 402.447 2.882 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])c1OC ZINC000790112955 1077941534 /nfs/dbraw/zinc/94/15/34/1077941534.db2.gz DVFZTZRYYBFJIU-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCCn3c(CN(C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001170343788 1077953880 /nfs/dbraw/zinc/95/38/80/1077953880.db2.gz SSIVHGYDLQMSMN-MRXNPFEDSA-N 0 0 416.526 2.872 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746883125 1077956546 /nfs/dbraw/zinc/95/65/46/1077956546.db2.gz PIZFSIDTFJMCGH-LLVKDONJSA-N 0 0 404.427 2.821 20 5 HFBDRN CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1nc(SC)nc(OC)c1[N+](=O)[O-] ZINC001170394899 1077959681 /nfs/dbraw/zinc/95/96/81/1077959681.db2.gz WADSUZZGIDCFPS-LBPRGKRZSA-N 0 0 410.427 2.841 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cccc(C)c3[N+](=O)[O-])cc2CC1 ZINC000790244662 1077975392 /nfs/dbraw/zinc/97/53/92/1077975392.db2.gz ZYGWFJYSKHHQMC-UHFFFAOYSA-N 0 0 404.444 2.618 20 5 HFBDRN Cc1nc(Cl)ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000790246864 1077976044 /nfs/dbraw/zinc/97/60/44/1077976044.db2.gz VDOKLZGJCDXHJV-HNNXBMFYSA-N 0 0 424.866 2.743 20 5 HFBDRN Cc1c(CNC(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000790230641 1077981220 /nfs/dbraw/zinc/98/12/20/1077981220.db2.gz MFQLGZVRWNUONB-ZDUSSCGKSA-N 0 0 406.464 2.835 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCCN(c2ncccc2F)CC1 ZINC000790279488 1077983590 /nfs/dbraw/zinc/98/35/90/1077983590.db2.gz SPQZKBIHGGQDTP-UHFFFAOYSA-N 0 0 415.469 2.678 20 5 HFBDRN Cc1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000747085287 1077983888 /nfs/dbraw/zinc/98/38/88/1077983888.db2.gz PVVWHBYJCOOUFD-UHFFFAOYSA-N 0 0 421.417 2.990 20 5 HFBDRN O=[N+]([O-])c1cnn(CC[S@](=O)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 ZINC000772819840 1077987750 /nfs/dbraw/zinc/98/77/50/1077987750.db2.gz SDAMCVSLQNBVGD-NDEPHWFRSA-N 0 0 415.353 2.809 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000790266968 1077990263 /nfs/dbraw/zinc/99/02/63/1077990263.db2.gz WUVVSFQVVCWEIX-ZDUSSCGKSA-N 0 0 408.798 2.873 20 5 HFBDRN O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000792786668 1077991412 /nfs/dbraw/zinc/99/14/12/1077991412.db2.gz UIBVQOOYABUYSS-IBGZPJMESA-N 0 0 404.806 2.650 20 5 HFBDRN CCc1nsc(N2CCN(c3c(Cl)cc([N+](=O)[O-])cc3C(=O)OC)CC2)n1 ZINC000790270602 1077991622 /nfs/dbraw/zinc/99/16/22/1077991622.db2.gz CBKZETZLXFQRIC-UHFFFAOYSA-N 0 0 411.871 2.775 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000790271131 1077992236 /nfs/dbraw/zinc/99/22/36/1077992236.db2.gz OHFPINDSUIRBNS-UHFFFAOYSA-N 0 0 416.883 2.973 20 5 HFBDRN O=C(COC(=O)c1cc(Cc2ccccc2)[nH]n1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000792792545 1077992630 /nfs/dbraw/zinc/99/26/30/1077992630.db2.gz NDNFAXHLDBAJDP-UHFFFAOYSA-N 0 0 406.398 2.655 20 5 HFBDRN O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(Cc2ccccc2)[nH]n1 ZINC000792791666 1077993178 /nfs/dbraw/zinc/99/31/78/1077993178.db2.gz FKXJZAJBUJIJJF-LJQANCHMSA-N 0 0 406.398 2.871 20 5 HFBDRN 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COc1cncc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000790368225 1078016121 /nfs/dbraw/zinc/01/61/21/1078016121.db2.gz RQJLRSJPMRUHNC-OAHLLOKOSA-N 0 0 414.418 2.635 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000790411617 1078020797 /nfs/dbraw/zinc/02/07/97/1078020797.db2.gz ZKJQKMBJEXXCMS-OLZOCXBDSA-N 0 0 405.270 2.689 20 5 HFBDRN CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000790435876 1078029942 /nfs/dbraw/zinc/02/99/42/1078029942.db2.gz FNDSHLLSKQCIRO-PLNGDYQASA-N 0 0 422.463 2.502 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1[N+](=O)[O-] ZINC000790443181 1078032779 /nfs/dbraw/zinc/03/27/79/1078032779.db2.gz QFUIIEICMGCDPJ-UHFFFAOYSA-N 0 0 421.305 2.890 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000790443827 1078033482 /nfs/dbraw/zinc/03/34/82/1078033482.db2.gz XCGDHLKNSJATMN-UHFFFAOYSA-N 0 0 404.379 2.575 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000790447833 1078034703 /nfs/dbraw/zinc/03/47/03/1078034703.db2.gz JJVAIVMEBQXNDL-PHIMTYICSA-N 0 0 405.860 2.582 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@]3(C2)CCCOC3)ccc1Br ZINC000790450554 1078035519 /nfs/dbraw/zinc/03/55/19/1078035519.db2.gz NHCLHAUCSZANJA-AWEZNQCLSA-N 0 0 405.270 2.549 20 5 HFBDRN CN1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790452213 1078035787 /nfs/dbraw/zinc/03/57/87/1078035787.db2.gz XAZYMPMCIJJMDS-AWEZNQCLSA-N 0 0 420.329 2.756 20 5 HFBDRN Nc1ccc(Br)c(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000747094570 1078036602 /nfs/dbraw/zinc/03/66/02/1078036602.db2.gz QQLNGNFKWXEIQT-OAHLLOKOSA-N 0 0 420.219 2.902 20 5 HFBDRN Nn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2F)nnc1C1CCCCC1 ZINC000746912872 1078037496 /nfs/dbraw/zinc/03/74/96/1078037496.db2.gz XWLIGSANDHXIPT-UHFFFAOYSA-N 0 0 409.443 2.922 20 5 HFBDRN Cc1cc([C@H]2CCCN2C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000792967588 1078037997 /nfs/dbraw/zinc/03/79/97/1078037997.db2.gz PHYLLTNOCXKMQX-CQSZACIVSA-N 0 0 423.223 2.956 20 5 HFBDRN CCS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000790475088 1078039563 /nfs/dbraw/zinc/03/95/63/1078039563.db2.gz JIDUBHMHFSVPBS-NSHDSACASA-N 0 0 416.452 2.567 20 5 HFBDRN COc1cccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 ZINC000792984504 1078040409 /nfs/dbraw/zinc/04/04/09/1078040409.db2.gz HRVMGVAJDNEIPZ-GOSISDBHSA-N 0 0 415.446 2.689 20 5 HFBDRN Cc1ccc2c(c1)CN(C(=O)CN1c3ccc([N+](=O)[O-])cc3C(F)(F)C1=O)CC2 ZINC001130662554 1079775159 /nfs/dbraw/zinc/77/51/59/1079775159.db2.gz BYNDBZMNKLRCSO-UHFFFAOYSA-N 0 0 401.369 2.927 20 5 HFBDRN O=C1COC[C@@H](C[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)N1 ZINC000806596258 1079838744 /nfs/dbraw/zinc/83/87/44/1079838744.db2.gz WYQQGJWYRAAMQR-UKRRQHHQSA-N 0 0 412.471 2.801 20 5 HFBDRN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC2(CCC2)O1 ZINC001130716224 1079922948 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CS(=O)(=O)Nc1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 ZINC000790540488 1078059054 /nfs/dbraw/zinc/05/90/54/1078059054.db2.gz XTTFFCDWQOSBJU-UHFFFAOYSA-N 0 0 415.830 2.618 20 5 HFBDRN O=C(Cc1ccccc1)N1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790543225 1078059236 /nfs/dbraw/zinc/05/92/36/1078059236.db2.gz RHDKDFYBCAVQPR-UHFFFAOYSA-N 0 0 419.840 2.843 20 5 HFBDRN Cc1cc(N2CCC[C@@H](NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)n(C)n1 ZINC000790576096 1078066775 /nfs/dbraw/zinc/06/67/75/1078066775.db2.gz XSDXKCMXUPJIGL-CYBMUJFWSA-N 0 0 409.849 2.757 20 5 HFBDRN CCNC(=O)C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793102286 1078078097 /nfs/dbraw/zinc/07/80/97/1078078097.db2.gz AMXFKCKJANPHQV-OAHLLOKOSA-N 0 0 418.494 2.738 20 5 HFBDRN O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1CCS(=O)(=O)c1ccc(F)cc1 ZINC000790622154 1078079580 /nfs/dbraw/zinc/07/95/80/1078079580.db2.gz UICWRGGEFXNPJM-UHFFFAOYSA-N 0 0 411.798 2.571 20 5 HFBDRN 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JCABOOKRNNHGRY-WFASDCNBSA-N 0 0 415.468 2.992 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCOC3=O)cc2)c1[N+](=O)[O-] ZINC000790871569 1078166939 /nfs/dbraw/zinc/16/69/39/1078166939.db2.gz ZUDODCAXESKCQG-UHFFFAOYSA-N 0 0 405.432 2.647 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CCO[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790871450 1078166948 /nfs/dbraw/zinc/16/69/48/1078166948.db2.gz VBVVNSGETFHNHI-GWCFXTLKSA-N 0 0 401.441 2.603 20 5 HFBDRN COC[C@@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790871236 1078166957 /nfs/dbraw/zinc/16/69/57/1078166957.db2.gz WGSGTZWIKCRZFJ-CYBMUJFWSA-N 0 0 401.441 2.557 20 5 HFBDRN CCOC(=O)N1CCC[C@@H]([C@@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000790876389 1078168766 /nfs/dbraw/zinc/16/87/66/1078168766.db2.gz XZHPPBQJDVIIEY-HUUCEWRRSA-N 0 0 413.496 2.747 20 5 HFBDRN CCn1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000790886294 1078171035 /nfs/dbraw/zinc/17/10/35/1078171035.db2.gz QTQHVOSAGPDMNG-UHFFFAOYSA-N 0 0 402.270 2.999 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CC(=O)Nc2ccccc21 ZINC000747120160 1078175198 /nfs/dbraw/zinc/17/51/98/1078175198.db2.gz YLLRGUGTPXKWCC-UHFFFAOYSA-N 0 0 423.303 2.756 20 5 HFBDRN Cn1cc(N2CCC[C@H](OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)cn1 ZINC000747123901 1078181371 /nfs/dbraw/zinc/18/13/71/1078181371.db2.gz JXVDUJQTXRGGPF-AWEZNQCLSA-N 0 0 412.324 2.700 20 5 HFBDRN COCC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000793577348 1078213243 /nfs/dbraw/zinc/21/32/43/1078213243.db2.gz OXURSOKJGTVEPR-UHFFFAOYSA-N 0 0 421.494 2.917 20 5 HFBDRN COC(=O)[C@]1(c2ccccc2)CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000793589968 1078216796 /nfs/dbraw/zinc/21/67/96/1078216796.db2.gz JTZABJVLPFQTNL-OAQYLSRUSA-N 0 0 407.430 2.628 20 5 HFBDRN CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000747139922 1078252122 /nfs/dbraw/zinc/25/21/22/1078252122.db2.gz LINUKFALVHBCPA-XFXZXTDPSA-N 0 0 418.471 2.939 20 5 HFBDRN 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O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000794098758 1078371730 /nfs/dbraw/zinc/37/17/30/1078371730.db2.gz DYFBFPRLCKTNSB-UHFFFAOYSA-N 0 0 412.337 2.524 20 5 HFBDRN CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@]2(CCOC2)O1 ZINC000794312591 1078408672 /nfs/dbraw/zinc/40/86/72/1078408672.db2.gz MAKFNSBIFBAOEH-INIZCTEOSA-N 0 0 417.231 2.907 20 5 HFBDRN CC(C)Oc1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc1C(N)=O ZINC000794360092 1078424909 /nfs/dbraw/zinc/42/49/09/1078424909.db2.gz PVAWQMPMAGZETB-GOSISDBHSA-N 0 0 412.402 2.613 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)N(CCN2CCCCCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC001129395565 1078437722 /nfs/dbraw/zinc/43/77/22/1078437722.db2.gz MJOVNHYIJSPYAX-UHFFFAOYSA-N 0 0 423.535 2.869 20 5 HFBDRN COC(=O)c1cc(C)nc(Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC000804399145 1078462674 /nfs/dbraw/zinc/46/26/74/1078462674.db2.gz GBUZGAUROQKTEL-UHFFFAOYSA-N 0 0 413.434 2.530 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@@H](C)[S@@]1=O ZINC000804435333 1078478049 /nfs/dbraw/zinc/47/80/49/1078478049.db2.gz MGQCQDDFMHTBIY-FJWQHWMGSA-N 0 0 400.522 2.705 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@H](C)[S@]1=O ZINC000804435335 1078478107 /nfs/dbraw/zinc/47/81/07/1078478107.db2.gz MGQCQDDFMHTBIY-HNGIYASMSA-N 0 0 400.522 2.705 20 5 HFBDRN CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)cc1C(F)(F)F ZINC001129783254 1078493170 /nfs/dbraw/zinc/49/31/70/1078493170.db2.gz XDOKPTXSQJPWBC-UHFFFAOYSA-N 0 0 421.339 2.908 20 5 HFBDRN CN(CC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001129785865 1078496042 /nfs/dbraw/zinc/49/60/42/1078496042.db2.gz HTLWAMUWNLAXTN-UHFFFAOYSA-N 0 0 420.491 2.747 20 5 HFBDRN C[C@@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000804668993 1078501823 /nfs/dbraw/zinc/50/18/23/1078501823.db2.gz PRMAWYHDIIQBPK-UKRRQHHQSA-N 0 0 406.439 2.559 20 5 HFBDRN Cc1cc(C(F)(F)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cnc1Cl ZINC001129495761 1078514627 /nfs/dbraw/zinc/51/46/27/1078514627.db2.gz KCZXYUGSXSVMCO-UHFFFAOYSA-N 0 0 411.796 2.787 20 5 HFBDRN Cn1c2cc(NC[C@H](O)c3cccc(C(F)(F)F)c3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804442624 1078508797 /nfs/dbraw/zinc/50/87/97/1078508797.db2.gz HBBKENMHGGSUAW-INIZCTEOSA-N 0 0 410.352 2.950 20 5 HFBDRN O=C(N[C@@H](C1CC1)C1CCC1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001129493137 1078512348 /nfs/dbraw/zinc/51/23/48/1078512348.db2.gz HMCCSNUGEKBXOY-RTBURBONSA-N 0 0 421.519 2.833 20 5 HFBDRN COC(=O)[C@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC001129817280 1078514042 /nfs/dbraw/zinc/51/40/42/1078514042.db2.gz NZKMSWXDPMXLLR-CQSZACIVSA-N 0 0 413.430 2.960 20 5 HFBDRN C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1Cc1ccccc1 ZINC001129829430 1078523413 /nfs/dbraw/zinc/52/34/13/1078523413.db2.gz YIDOVAQMMFFFEY-KKSFZXQISA-N 0 0 408.458 2.821 20 5 HFBDRN CN1CCN(S(=O)(=O)c2ccccc2CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804462844 1078525946 /nfs/dbraw/zinc/52/59/46/1078525946.db2.gz TYJPFOQUQXRRRN-UHFFFAOYSA-N 0 0 424.910 2.796 20 5 HFBDRN COc1ccc(C(=O)NCCN2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc1 ZINC000804465671 1078529418 /nfs/dbraw/zinc/52/94/18/1078529418.db2.gz FACMFMRWILLLMS-UHFFFAOYSA-N 0 0 418.881 2.809 20 5 HFBDRN Cc1ccc([C@H](O)[C@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000804473189 1078534182 /nfs/dbraw/zinc/53/41/82/1078534182.db2.gz MVXGXKGCQWBPSF-JCKWVBRZSA-N 0 0 417.487 2.808 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)n1 ZINC000804694815 1078537355 /nfs/dbraw/zinc/53/73/55/1078537355.db2.gz WERSYYDYGNWXIX-CYBMUJFWSA-N 0 0 400.391 2.699 20 5 HFBDRN COC(=O)N1CCC(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 ZINC000804685101 1078545276 /nfs/dbraw/zinc/54/52/76/1078545276.db2.gz FNPAMHADRZQKIA-UHFFFAOYSA-N 0 0 407.470 2.749 20 5 HFBDRN COC(=O)c1cccc2c1CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)C2 ZINC001129600468 1078574182 /nfs/dbraw/zinc/57/41/82/1078574182.db2.gz LRFNHVWGLKLGPU-UHFFFAOYSA-N 0 0 406.398 2.766 20 5 HFBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000804553124 1078579238 /nfs/dbraw/zinc/57/92/38/1078579238.db2.gz KDQUFCCWAKWSGT-ZYHUDNBSSA-N 0 0 409.468 2.718 20 5 HFBDRN Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2)n1 ZINC001129611041 1078581618 /nfs/dbraw/zinc/58/16/18/1078581618.db2.gz XMJVVHZUSZPTKO-UHFFFAOYSA-N 0 0 406.446 2.755 20 5 HFBDRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])c1 ZINC001129911804 1078581965 /nfs/dbraw/zinc/58/19/65/1078581965.db2.gz SPWXTFVMZRXRSN-UHFFFAOYSA-N 0 0 412.851 2.980 20 5 HFBDRN COc1cc(CN2CCN(c3ccc(N)cc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000804535802 1078583175 /nfs/dbraw/zinc/58/31/75/1078583175.db2.gz PPJNGDVFKLZDLT-UHFFFAOYSA-N 0 0 402.451 2.525 20 5 HFBDRN COc1cccc(OCCN2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)c1 ZINC000804559363 1078594219 /nfs/dbraw/zinc/59/42/19/1078594219.db2.gz VSPPVYONLWEMOS-UHFFFAOYSA-N 0 0 402.407 2.713 20 5 HFBDRN C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NCCc1ccccc1 ZINC001129617423 1078594669 /nfs/dbraw/zinc/59/46/69/1078594669.db2.gz BFCMWDFPXOMFRW-MRXNPFEDSA-N 0 0 410.474 2.672 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804567435 1078601728 /nfs/dbraw/zinc/60/17/28/1078601728.db2.gz NAXNWGCVUROCGU-STQMWFEESA-N 0 0 408.455 2.824 20 5 HFBDRN COC(=O)c1cnc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(F)(F)F ZINC000804566771 1078603024 /nfs/dbraw/zinc/60/30/24/1078603024.db2.gz YNLACUGLNJXQPH-JTQLQIEISA-N 0 0 411.340 2.881 20 5 HFBDRN O=C(Nc1cc2n(n1)CCCC2)c1cc([N+](=O)[O-])ccc1I ZINC000804756903 1078606475 /nfs/dbraw/zinc/60/64/75/1078606475.db2.gz VGBLMNASTXEVFP-UHFFFAOYSA-N 0 0 412.187 2.985 20 5 HFBDRN COCC(C)(C)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC001129924985 1078616375 /nfs/dbraw/zinc/61/63/75/1078616375.db2.gz BJKXTXOHBXNXPS-UHFFFAOYSA-N 0 0 404.511 2.768 20 5 HFBDRN Cc1ccc(N2CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])CC2=O)cc1 ZINC000804768702 1078623444 /nfs/dbraw/zinc/62/34/44/1078623444.db2.gz QYQHXXUHMNFPSY-UHFFFAOYSA-N 0 0 410.474 2.589 20 5 HFBDRN COC(=O)c1ccc([C@@H](OC(=O)Cn2cc([N+](=O)[O-])nc2C)C(F)(F)F)cc1 ZINC000747212897 1078623505 /nfs/dbraw/zinc/62/35/05/1078623505.db2.gz MRJWILYLLZUSAO-CQSZACIVSA-N 0 0 401.297 2.733 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000804590502 1078624516 /nfs/dbraw/zinc/62/45/16/1078624516.db2.gz HESGQQWUIRDHTD-OLZOCXBDSA-N 0 0 408.455 2.919 20 5 HFBDRN C[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C(=O)OC(C)(C)C ZINC001129951628 1078627951 /nfs/dbraw/zinc/62/79/51/1078627951.db2.gz RLEKPLNKIWYMDI-SUMWQHHRSA-N 0 0 415.450 2.758 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cccc(OC)c2OC)CC1 ZINC000747213060 1078630407 /nfs/dbraw/zinc/63/04/07/1078630407.db2.gz ZQYSDJIYDNERCT-UHFFFAOYSA-N 0 0 415.446 2.721 20 5 HFBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000804600228 1078642801 /nfs/dbraw/zinc/64/28/01/1078642801.db2.gz YDHPTDRUTDJFJA-VXGBXAGGSA-N 0 0 403.439 2.983 20 5 HFBDRN CCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)cc1[N+](=O)[O-] ZINC001129685372 1078648474 /nfs/dbraw/zinc/64/84/74/1078648474.db2.gz PHRNNZIATSQCQP-UHFFFAOYSA-N 0 0 406.464 2.838 20 5 HFBDRN Cc1ccccc1[C@@H](O)C1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000804809853 1078655427 /nfs/dbraw/zinc/65/54/27/1078655427.db2.gz BIYMMIKYRLNWQE-IBGZPJMESA-N 0 0 405.476 2.501 20 5 HFBDRN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCCCN1C(=O)c2ccccc2C1=O ZINC000804816678 1078658703 /nfs/dbraw/zinc/65/87/03/1078658703.db2.gz MNHJRDUODHOLNN-UHFFFAOYSA-N 0 0 408.414 2.585 20 5 HFBDRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000804830134 1078670716 /nfs/dbraw/zinc/67/07/16/1078670716.db2.gz QVKWQQBWCJPDEX-BJMVGYQFSA-N 0 0 420.443 2.675 20 5 HFBDRN CC(=O)c1ccc(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000804834753 1078675003 /nfs/dbraw/zinc/67/50/03/1078675003.db2.gz MMCWFOUABHYAEO-QGZVFWFLSA-N 0 0 418.494 2.929 20 5 HFBDRN COC[C@]1(CNc2ncc(C(=O)OC)cc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804838113 1078680150 /nfs/dbraw/zinc/68/01/50/1078680150.db2.gz QGAUONUSXDCTCM-LJQANCHMSA-N 0 0 424.454 2.604 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000804630492 1078684007 /nfs/dbraw/zinc/68/40/07/1078684007.db2.gz CVCNVOZMRGPXJN-GOEBONIOSA-N 0 0 423.491 2.583 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000747203859 1078693260 /nfs/dbraw/zinc/69/32/60/1078693260.db2.gz OAKAFDQGIISAEN-UHFFFAOYSA-N 0 0 403.410 2.836 20 5 HFBDRN Cc1nn(CCC(=O)N2CCC[C@H]2COC(=O)NC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000804876402 1078700302 /nfs/dbraw/zinc/70/03/02/1078700302.db2.gz ZOKCSKATTKKYFQ-KRWDZBQOSA-N 0 0 421.498 2.848 20 5 HFBDRN CS(=O)(=O)c1ccccc1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC001129758311 1078702449 /nfs/dbraw/zinc/70/24/49/1078702449.db2.gz QSNIWDJDZKHWHH-UHFFFAOYSA-N 0 0 400.815 2.650 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000804634533 1078715294 /nfs/dbraw/zinc/71/52/94/1078715294.db2.gz WXSVISLFAAOERQ-UKRRQHHQSA-N 0 0 416.434 2.586 20 5 HFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccn(C)n1 ZINC001129743946 1078719817 /nfs/dbraw/zinc/71/98/17/1078719817.db2.gz NKCXWDCBHBDNCO-VIFPVBQESA-N 0 0 414.203 2.732 20 5 HFBDRN Cc1ccc(NS(=O)(=O)c2ccc(NCc3cnn(C)n3)c([N+](=O)[O-])c2)c(C)c1 ZINC000804851072 1078720864 /nfs/dbraw/zinc/72/08/64/1078720864.db2.gz HNRUVJAWCJDMEQ-UHFFFAOYSA-N 0 0 416.463 2.753 20 5 HFBDRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001129791320 1078731135 /nfs/dbraw/zinc/73/11/35/1078731135.db2.gz XFIRVVIJEAYGMG-GIVPXCGWSA-N 0 0 423.469 2.936 20 5 HFBDRN O=C1c2ccc(Br)cc2S(=O)(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000804920396 1078741835 /nfs/dbraw/zinc/74/18/35/1078741835.db2.gz GLVQCIFUMLJFQL-UHFFFAOYSA-N 0 0 403.235 2.764 20 5 HFBDRN CCO[C@H](C)c1noc(CN2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)n1 ZINC000747224434 1078788810 /nfs/dbraw/zinc/78/88/10/1078788810.db2.gz RVVWLWONPIKEQP-GFCCVEGCSA-N 0 0 409.418 2.545 20 5 HFBDRN CCc1ccc(OS(=O)(=O)c2nc(C)n(C)c2Br)c([N+](=O)[O-])c1 ZINC000805005827 1078850259 /nfs/dbraw/zinc/85/02/59/1078850259.db2.gz UNHQPMMBOYZCQY-UHFFFAOYSA-N 0 0 404.242 2.729 20 5 HFBDRN O=[N+]([O-])c1ccc(I)c(OS(=O)(=O)CCCCF)c1 ZINC000805073035 1078882713 /nfs/dbraw/zinc/88/27/13/1078882713.db2.gz VUZVMQVSBBBOGE-UHFFFAOYSA-N 0 0 403.169 2.658 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000805114619 1078899416 /nfs/dbraw/zinc/89/94/16/1078899416.db2.gz WNGZOYPUAJXJCW-OAHLLOKOSA-N 0 0 413.496 2.891 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000805118109 1078901594 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/nfs/dbraw/zinc/97/82/54/1078978254.db2.gz WBBUBKGQXDHCGJ-UHFFFAOYSA-N 0 0 404.853 2.566 20 5 HFBDRN O=Cc1ccc(OCC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000805323056 1079018883 /nfs/dbraw/zinc/01/88/83/1079018883.db2.gz JUTXNPLIFFYJSW-GOEBONIOSA-N 0 0 416.455 2.813 20 5 HFBDRN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000805333676 1079023755 /nfs/dbraw/zinc/02/37/55/1079023755.db2.gz NKBDGOVTYFNDLS-GXTWGEPZSA-N 0 0 419.869 2.838 20 5 HFBDRN C[C@H](C(=O)N(C)CCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1F ZINC001130181886 1079043716 /nfs/dbraw/zinc/04/37/16/1079043716.db2.gz NJBRFGTXWZQLDN-ZDUSSCGKSA-N 0 0 413.405 2.982 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)OCc2ncsc2Br)cc([N+](=O)[O-])c1 ZINC001130177163 1079036307 /nfs/dbraw/zinc/03/63/07/1079036307.db2.gz QIVDJZXSGXBLPD-UHFFFAOYSA-N 0 0 421.250 2.574 20 5 HFBDRN CN(CCCN1C(=O)c2ccccc2C1=O)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001130181321 1079043044 /nfs/dbraw/zinc/04/30/44/1079043044.db2.gz BRQFYKDTEYEDBP-UHFFFAOYSA-N 0 0 410.430 2.542 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000805431619 1079061646 /nfs/dbraw/zinc/06/16/46/1079061646.db2.gz HIPLQCLIAVWTRD-UHFFFAOYSA-N 0 0 404.400 2.715 20 5 HFBDRN O=C(CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000805454172 1079080350 /nfs/dbraw/zinc/08/03/50/1079080350.db2.gz WKKXESHXGXWNSK-AWEZNQCLSA-N 0 0 423.491 2.597 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000805417739 1079078255 /nfs/dbraw/zinc/07/82/55/1079078255.db2.gz KQTXOAOAKCIOLL-AWEZNQCLSA-N 0 0 416.434 2.980 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)NCCCNC(=O)/C=C/c1ccccc1 ZINC000805455732 1079081736 /nfs/dbraw/zinc/08/17/36/1079081736.db2.gz GVWYFEWLFOSTID-OUKQBFOZSA-N 0 0 410.474 2.998 20 5 HFBDRN C[C@@H](Cc1ccccn1)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130239112 1079102350 /nfs/dbraw/zinc/10/23/50/1079102350.db2.gz LAJXBUWJCCWNKZ-JTQLQIEISA-N 0 0 411.199 2.955 20 5 HFBDRN 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O=C(NCc1ccccc1)[C@@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001130273647 1079168539 /nfs/dbraw/zinc/16/85/39/1079168539.db2.gz RFXZXPAHWDDOTN-OAHLLOKOSA-N 0 0 419.384 2.975 20 5 HFBDRN CC(C)(C)OC(=O)C1(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001130296452 1079187125 /nfs/dbraw/zinc/18/71/25/1079187125.db2.gz OGNMRWOVQSPJMV-UHFFFAOYSA-N 0 0 414.405 2.941 20 5 HFBDRN O=C(N[C@H](C1CC1)[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001130316872 1079210812 /nfs/dbraw/zinc/21/08/12/1079210812.db2.gz BPMARVWYCXEPIF-OMWUSAIZSA-N 0 0 405.426 2.551 20 5 HFBDRN COc1ccc(NC(=O)COC(=O)c2ncsc2Br)c([N+](=O)[O-])c1 ZINC000805708422 1079228366 /nfs/dbraw/zinc/22/83/66/1079228366.db2.gz WEJPSOUVEYYFRM-UHFFFAOYSA-N 0 0 416.209 2.618 20 5 HFBDRN CN(C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccon1 ZINC001130346382 1079234723 /nfs/dbraw/zinc/23/47/23/1079234723.db2.gz ACRJOUQWUBFIKB-UHFFFAOYSA-N 0 0 403.372 2.627 20 5 HFBDRN 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CC[NH+](CC)Cc1ccc(C(=O)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000805926862 1079357579 /nfs/dbraw/zinc/35/75/79/1079357579.db2.gz CRGTUDSIZPJUGT-UHFFFAOYSA-N 0 0 405.476 2.864 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NCCc1ccncc1 ZINC000805977688 1079383352 /nfs/dbraw/zinc/38/33/52/1079383352.db2.gz PKZZUGOUVVHCJM-LLVKDONJSA-N 0 0 411.336 2.913 20 5 HFBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000747289781 1079388236 /nfs/dbraw/zinc/38/82/36/1079388236.db2.gz CAXMTIFPRPLVEO-FTJNGKRUSA-N 0 0 400.453 2.853 20 5 HFBDRN COc1cccc(C(=O)OCCc2c(C)nc(-c3ccccn3)[nH]c2=O)c1[N+](=O)[O-] ZINC000806017870 1079391603 /nfs/dbraw/zinc/39/16/03/1079391603.db2.gz KGBVASOAXGSLPL-UHFFFAOYSA-N 0 0 410.386 2.869 20 5 HFBDRN CN(C(=O)OC(C)(C)C)C1(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000806057216 1079401790 /nfs/dbraw/zinc/40/17/90/1079401790.db2.gz ZHMJHNNSIJONKE-UHFFFAOYSA-N 0 0 408.407 2.922 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)OCc3csc(C)c3)cc2[N+](=O)[O-])CC1 ZINC000806023642 1079404788 /nfs/dbraw/zinc/40/47/88/1079404788.db2.gz NHSINZYPKOITKG-UHFFFAOYSA-N 0 0 403.460 2.990 20 5 HFBDRN Cc1c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cnn1-c1ccc(F)cc1 ZINC001130513642 1079440505 /nfs/dbraw/zinc/44/05/05/1079440505.db2.gz NVNWRVUTRQWPGS-UHFFFAOYSA-N 0 0 411.393 2.987 20 5 HFBDRN C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(-c3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001170499072 1079453650 /nfs/dbraw/zinc/45/36/50/1079453650.db2.gz DMFAKAFXSHIUSQ-WLYUNCDWSA-N 0 0 412.446 2.665 20 5 HFBDRN CCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000746671102 1076743146 /nfs/dbraw/zinc/74/31/46/1076743146.db2.gz LJOQEANDTUZLGQ-LBPRGKRZSA-N 0 0 423.285 2.758 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000787355968 1076794822 /nfs/dbraw/zinc/79/48/22/1076794822.db2.gz KOHVGZWYAPZKPT-UONOGXRCSA-N 0 0 422.482 2.920 20 5 HFBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NC[C@H]3CCCO3)cc2[N+](=O)[O-])C1 ZINC000787455073 1076817776 /nfs/dbraw/zinc/81/77/76/1076817776.db2.gz RZMAJECHBMBQJO-BFYDXBDKSA-N 0 0 419.478 2.529 20 5 HFBDRN C[C@@H]1[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCN1C(=O)OC(C)(C)C ZINC000787507139 1076829092 /nfs/dbraw/zinc/82/90/92/1076829092.db2.gz IJIQUVVGABMHKR-CXAGYDPISA-N 0 0 405.451 2.830 20 5 HFBDRN COC(=O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000787522712 1076846649 /nfs/dbraw/zinc/84/66/49/1076846649.db2.gz AAYPVFDVZZWKDC-HXUWFJFHSA-N 0 0 415.402 2.981 20 5 HFBDRN O=C(NC[C@H](C(=O)OCc1ccccc1)c1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000787536921 1076852536 /nfs/dbraw/zinc/85/25/36/1076852536.db2.gz LQSIRSJYCJYYEQ-SFHVURJKSA-N 0 0 421.409 2.952 20 5 HFBDRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000787593916 1076863651 /nfs/dbraw/zinc/86/36/51/1076863651.db2.gz VXEAFFVRZBXGPJ-HOCLYGCPSA-N 0 0 421.498 2.990 20 5 HFBDRN 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Cc1cccc(CCNC(=O)c2ccc(I)c([N+](=O)[O-])c2)n1 ZINC000791824109 1077574402 /nfs/dbraw/zinc/57/44/02/1077574402.db2.gz NMSBUFXESPHYNM-UHFFFAOYSA-N 0 0 411.199 2.875 20 5 HFBDRN O=C1CC2(CN1CN1CCc3c(Br)ccc([N+](=O)[O-])c3C1)CCOCC2 ZINC000789483210 1077587840 /nfs/dbraw/zinc/58/78/40/1077587840.db2.gz VAPQVGJWGXMZJG-UHFFFAOYSA-N 0 0 424.295 2.702 20 5 HFBDRN O=C1N(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCC12CCOCC2 ZINC000789484143 1077588516 /nfs/dbraw/zinc/58/85/16/1077588516.db2.gz WLFNHNOFGRXIJY-UHFFFAOYSA-N 0 0 424.295 2.702 20 5 HFBDRN O=C(COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccncc1Cl ZINC000791900701 1077590513 /nfs/dbraw/zinc/59/05/13/1077590513.db2.gz VVFPSCSRMJPHMF-LBPRGKRZSA-N 0 0 423.834 2.735 20 5 HFBDRN Cc1ccc(CN2CC[C@H](NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000791876748 1077595547 /nfs/dbraw/zinc/59/55/47/1077595547.db2.gz BKESCKIPIWVNLB-KRWDZBQOSA-N 0 0 403.385 2.912 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccnn1C ZINC000791920623 1077611205 /nfs/dbraw/zinc/61/12/05/1077611205.db2.gz BTPHZSYUGNHSOR-MRVPVSSYSA-N 0 0 401.160 2.851 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000791990209 1077625825 /nfs/dbraw/zinc/62/58/25/1077625825.db2.gz CXKZLFDFVVBLAH-GFCCVEGCSA-N 0 0 409.439 2.741 20 5 HFBDRN Cn1ccnc1[C@H](O)C1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000772739822 1077636352 /nfs/dbraw/zinc/63/63/52/1077636352.db2.gz CUOYOSQANVPKFX-GOSISDBHSA-N 0 0 422.869 2.723 20 5 HFBDRN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC[C@@H]1CCC(C)(C)O1 ZINC000792021588 1077653637 /nfs/dbraw/zinc/65/36/37/1077653637.db2.gz RJPXLBQIMQBQSN-RYUDHWBXSA-N 0 0 400.453 2.540 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000789558364 1077677387 /nfs/dbraw/zinc/67/73/87/1077677387.db2.gz OARPGBNPTLZVSD-VIFPVBQESA-N 0 0 423.223 2.577 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000789624158 1077694788 /nfs/dbraw/zinc/69/47/88/1077694788.db2.gz FUXUIYULPGWCAX-QGZVFWFLSA-N 0 0 424.457 2.689 20 5 HFBDRN COc1ccc(OC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)cc1[N+](=O)[O-] ZINC000792113874 1077701837 /nfs/dbraw/zinc/70/18/37/1077701837.db2.gz PCRWKBFBWCPJTC-GFCCVEGCSA-N 0 0 423.447 2.502 20 5 HFBDRN COc1ccc(OC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1[N+](=O)[O-] ZINC000792120731 1077702917 /nfs/dbraw/zinc/70/29/17/1077702917.db2.gz TZFYDAJENVVKRH-MPBGBICISA-N 0 0 419.434 2.646 20 5 HFBDRN CCc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000792085108 1077709269 /nfs/dbraw/zinc/70/92/69/1077709269.db2.gz KWXFAXZJBJKUMC-UHFFFAOYSA-N 0 0 408.388 2.826 20 5 HFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H]([C@@H]1CCCOC1)C(F)(F)F ZINC000789646869 1077717972 /nfs/dbraw/zinc/71/79/72/1077717972.db2.gz MHZAZIOBPLWTND-IUODEOHRSA-N 0 0 404.341 2.615 20 5 HFBDRN O=C(c1nc(Br)ccc1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000792185202 1077737867 /nfs/dbraw/zinc/73/78/67/1077737867.db2.gz LNUOTCJSVKVCFU-VIFPVBQESA-N 0 0 410.203 2.613 20 5 HFBDRN CN(C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789710760 1077749932 /nfs/dbraw/zinc/74/99/32/1077749932.db2.gz GJWSMQKLZDZQRF-KRWDZBQOSA-N 0 0 403.385 2.946 20 5 HFBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789711354 1077750207 /nfs/dbraw/zinc/75/02/07/1077750207.db2.gz KCSIOLBKZIIHGC-HXUWFJFHSA-N 0 0 419.441 2.654 20 5 HFBDRN CC(C)(C)OC(=O)NC(C)(C)c1noc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 ZINC000789769492 1077770030 /nfs/dbraw/zinc/77/00/30/1077770030.db2.gz ZZZSWUAOQQKAFG-UHFFFAOYSA-N 0 0 415.410 2.985 20 5 HFBDRN Cc1c(CNC(=O)C(=O)Nc2ccc(N3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000792312449 1077802534 /nfs/dbraw/zinc/80/25/34/1077802534.db2.gz GIWYGIXXDWTTKA-UHFFFAOYSA-N 0 0 414.487 2.711 20 5 HFBDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000789902760 1077856310 /nfs/dbraw/zinc/85/63/10/1077856310.db2.gz ILROVRVJYHWYFD-ZDUSSCGKSA-N 0 0 414.422 2.575 20 5 HFBDRN CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000792491697 1077865296 /nfs/dbraw/zinc/86/52/96/1077865296.db2.gz ZLGQYHSLAUFDCT-QGZVFWFLSA-N 0 0 417.466 2.595 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](Cc1ccccc1)C(N)=O ZINC000792475314 1077874222 /nfs/dbraw/zinc/87/42/22/1077874222.db2.gz XWRNEDLJXGGMGP-OAHLLOKOSA-N 0 0 407.220 2.919 20 5 HFBDRN C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)NC(=O)OC(C)(C)C ZINC000792514652 1077882665 /nfs/dbraw/zinc/88/26/65/1077882665.db2.gz JYTKRFXBLNPWOG-GFCCVEGCSA-N 0 0 404.423 2.551 20 5 HFBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1cnc(Cl)cn1 ZINC000789999590 1077897012 /nfs/dbraw/zinc/89/70/12/1077897012.db2.gz NPWKGKSDBIHOIN-UHFFFAOYSA-N 0 0 403.782 2.980 20 5 HFBDRN COc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc12 ZINC001170181673 1077903113 /nfs/dbraw/zinc/90/31/13/1077903113.db2.gz FZFGZCZMLPCUMW-UHFFFAOYSA-N 0 0 415.427 2.674 20 5 HFBDRN COC(=O)COc1c(C)cc(NCc2ccnc(-c3cnn(C)c3)c2)cc1[N+](=O)[O-] ZINC001170125112 1077906286 /nfs/dbraw/zinc/90/62/86/1077906286.db2.gz GCICVILGIQGHBQ-UHFFFAOYSA-N 0 0 411.418 2.863 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C1CCOCC1 ZINC000790040420 1077908106 /nfs/dbraw/zinc/90/81/06/1077908106.db2.gz YIHIZDOVODZYQT-SNVBAGLBSA-N 0 0 407.286 2.759 20 5 HFBDRN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001170238886 1077914541 /nfs/dbraw/zinc/91/45/41/1077914541.db2.gz YLYMHPKTBKHSQF-BJJXKVORSA-N 0 0 424.498 2.686 20 5 HFBDRN CCCOC(=O)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 ZINC000772805278 1077917966 /nfs/dbraw/zinc/91/79/66/1077917966.db2.gz WNJZVPQSEHUHAH-QGZVFWFLSA-N 0 0 421.427 2.850 20 5 HFBDRN COC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c(N(C)C)c1 ZINC000792601065 1077919829 /nfs/dbraw/zinc/91/98/29/1077919829.db2.gz ZVEULDBBRHOLPA-UHFFFAOYSA-N 0 0 402.363 2.916 20 5 HFBDRN CCc1[nH]nc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000790072730 1077921922 /nfs/dbraw/zinc/92/19/22/1077921922.db2.gz DEYIAJXKNKUPHX-UHFFFAOYSA-N 0 0 416.293 2.756 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c1[N+](=O)[O-] ZINC000790072895 1077922711 /nfs/dbraw/zinc/92/27/11/1077922711.db2.gz FIBBAJXRIQJFPO-GFCCVEGCSA-N 0 0 400.435 2.793 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)Nc2ccc3c(c2F)CCNC3=O)c1 ZINC000790074725 1077922974 /nfs/dbraw/zinc/92/29/74/1077922974.db2.gz QPFJSWRGJAKUKP-UHFFFAOYSA-N 0 0 413.814 2.782 20 5 HFBDRN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000790080712 1077925312 /nfs/dbraw/zinc/92/53/12/1077925312.db2.gz VNKCJYNOMDAGPX-SFHVURJKSA-N 0 0 418.494 2.719 20 5 HFBDRN COC(=O)c1cc(NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(C)c([N+](=O)[O-])c1 ZINC000792632079 1077942952 /nfs/dbraw/zinc/94/29/52/1077942952.db2.gz SGYJXVNTROCZNC-UHFFFAOYSA-N 0 0 403.347 2.788 20 5 HFBDRN C[C@H](OC(=O)C(C)(C)S(=O)(=O)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000792628460 1077947789 /nfs/dbraw/zinc/94/77/89/1077947789.db2.gz AYNUYCDVYXZQFZ-JTQLQIEISA-N 0 0 409.420 2.605 20 5 HFBDRN COC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000790100929 1077949330 /nfs/dbraw/zinc/94/93/30/1077949330.db2.gz JECJUVZHXQRKTI-UHFFFAOYSA-N 0 0 405.842 2.925 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)c1cnn2cccc(Cl)c12)c1cccc([N+](=O)[O-])c1 ZINC001170357530 1077949370 /nfs/dbraw/zinc/94/93/70/1077949370.db2.gz QRBNRJAHELRACK-GOSISDBHSA-N 0 0 402.794 2.714 20 5 HFBDRN COc1ccc(C[C@H](C)N2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)c([N+](=O)[O-])c1 ZINC001170343995 1077954144 /nfs/dbraw/zinc/95/41/44/1077954144.db2.gz WJRVCHYNJCVHGM-AWEZNQCLSA-N 0 0 413.478 2.520 20 5 HFBDRN COc1cc(OCC(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001170347092 1077954855 /nfs/dbraw/zinc/95/48/55/1077954855.db2.gz IBNLGCVHIDHJBU-ZIAGYGMSSA-N 0 0 423.466 2.886 20 5 HFBDRN CN(CCCCCO)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000790142126 1077955607 /nfs/dbraw/zinc/95/56/07/1077955607.db2.gz CMKQNCNXTDHKHV-UHFFFAOYSA-N 0 0 422.459 2.597 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3C)cc2CC1 ZINC000790153340 1077965909 /nfs/dbraw/zinc/96/59/09/1077965909.db2.gz HXGAIJRLPJPICN-UHFFFAOYSA-N 0 0 404.444 2.618 20 5 HFBDRN CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC001170405761 1077966093 /nfs/dbraw/zinc/96/60/93/1077966093.db2.gz VNQGIYZUZSVVNR-HNNXBMFYSA-N 0 0 405.382 2.810 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)c1F ZINC000790184602 1077973491 /nfs/dbraw/zinc/97/34/91/1077973491.db2.gz VXZGAQSKMXDOAJ-UHFFFAOYSA-N 0 0 400.410 2.682 20 5 HFBDRN Nc1ccc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)cc1[N+](=O)[O-] ZINC000792784910 1077990936 /nfs/dbraw/zinc/99/09/36/1077990936.db2.gz OBQWKGFTPJARTG-HNNXBMFYSA-N 0 0 401.423 2.821 20 5 HFBDRN O=C(COC(=O)[C@@]1(O)CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000792786669 1077991384 /nfs/dbraw/zinc/99/13/84/1077991384.db2.gz UIBVQOOYABUYSS-LJQANCHMSA-N 0 0 404.806 2.650 20 5 HFBDRN Cc1ccc(-n2cnc3c2CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C3)cc1 ZINC000792780499 1077999471 /nfs/dbraw/zinc/99/94/71/1077999471.db2.gz RNUGNYYSLOPLLB-UHFFFAOYSA-N 0 0 404.473 2.897 20 5 HFBDRN CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000746896253 1078000144 /nfs/dbraw/zinc/00/01/44/1078000144.db2.gz AXVNOTQFMWUNGG-UHFFFAOYSA-N 0 0 414.439 2.937 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000746901555 1078002690 /nfs/dbraw/zinc/00/26/90/1078002690.db2.gz RBFFOSZGBKRFAM-UHFFFAOYSA-N 0 0 422.434 2.878 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1COC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000792816338 1078002941 /nfs/dbraw/zinc/00/29/41/1078002941.db2.gz KMEOMIHXERGYNM-INIZCTEOSA-N 0 0 405.428 2.998 20 5 HFBDRN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000792822203 1078005801 /nfs/dbraw/zinc/00/58/01/1078005801.db2.gz UWWUIKGOPRNGPQ-KRWDZBQOSA-N 0 0 405.428 2.868 20 5 HFBDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000746896909 1078006839 /nfs/dbraw/zinc/00/68/39/1078006839.db2.gz QVYPCDALNKSNLV-SFHVURJKSA-N 0 0 422.434 2.939 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)c2cccnc2OC(C)C)c([N+](=O)[O-])c1 ZINC000792832402 1078007703 /nfs/dbraw/zinc/00/77/03/1078007703.db2.gz IZMARFFBZKJXFZ-UHFFFAOYSA-N 0 0 403.391 2.971 20 5 HFBDRN CN(C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000790386657 1078011715 /nfs/dbraw/zinc/01/17/15/1078011715.db2.gz ZLORPFNREWWWRV-QWRGUYRKSA-N 0 0 423.488 2.624 20 5 HFBDRN COC(=O)c1cccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1OC(C)C ZINC000792850028 1078014330 /nfs/dbraw/zinc/01/43/30/1078014330.db2.gz NNFHJXBFDMTNTF-UHFFFAOYSA-N 0 0 416.386 2.999 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000792850519 1078014399 /nfs/dbraw/zinc/01/43/99/1078014399.db2.gz 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CC(C)(C)c1ccc(NC(=O)C(=O)N2CCSC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000793029841 1078051477 /nfs/dbraw/zinc/05/14/77/1078051477.db2.gz SFNSOYKKVLKCKX-UHFFFAOYSA-N 0 0 421.519 2.955 20 5 HFBDRN CCC1(CC)CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000793031317 1078051929 /nfs/dbraw/zinc/05/19/29/1078051929.db2.gz PQBJRONRHRWJIX-LJAQVGFWSA-N 0 0 423.535 2.981 20 5 HFBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1S(=O)(=O)NC1CC1 ZINC000790552917 1078054668 /nfs/dbraw/zinc/05/46/68/1078054668.db2.gz FOOWLJOYSMCLDA-UHFFFAOYSA-N 0 0 423.422 2.744 20 5 HFBDRN CCOC(=O)c1csc(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1 ZINC000790569725 1078057885 /nfs/dbraw/zinc/05/78/85/1078057885.db2.gz FCRPUNMMQJNAAF-UHFFFAOYSA-N 0 0 415.830 2.922 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1cnc(N2CCOCC2)s1 ZINC000790571215 1078058111 /nfs/dbraw/zinc/05/81/11/1078058111.db2.gz DCZVUAGORKBFSW-UHFFFAOYSA-N 0 0 414.846 2.539 20 5 HFBDRN C[C@]1(c2cccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2)NC(=O)NC1=O ZINC000790544119 1078059615 /nfs/dbraw/zinc/05/96/15/1078059615.db2.gz WFLCFLXNVSAACK-GOSISDBHSA-N 0 0 420.784 2.623 20 5 HFBDRN Cn1ccnc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793066633 1078060849 /nfs/dbraw/zinc/06/08/49/1078060849.db2.gz RIYZQKNWQVQVKY-AWEZNQCLSA-N 0 0 413.478 2.971 20 5 HFBDRN Cn1ccnc1[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793066641 1078060897 /nfs/dbraw/zinc/06/08/97/1078060897.db2.gz RIYZQKNWQVQVKY-CQSZACIVSA-N 0 0 413.478 2.971 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000793067357 1078061223 /nfs/dbraw/zinc/06/12/23/1078061223.db2.gz JBCNLXDJEGPMSZ-MRXNPFEDSA-N 0 0 412.446 2.906 20 5 HFBDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000790573477 1078066606 /nfs/dbraw/zinc/06/66/06/1078066606.db2.gz LZOTXLHQZRQAQI-LBPRGKRZSA-N 0 0 417.393 2.976 20 5 HFBDRN O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000746932798 1078072216 /nfs/dbraw/zinc/07/22/16/1078072216.db2.gz HXGHNMXIGSWDIN-UHFFFAOYSA-N 0 0 408.374 2.889 20 5 HFBDRN COCC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000793097464 1078074752 /nfs/dbraw/zinc/07/47/52/1078074752.db2.gz HTVRVCZIGPGHHS-UHFFFAOYSA-N 0 0 407.467 2.875 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000793097127 1078074917 /nfs/dbraw/zinc/07/49/17/1078074917.db2.gz NNNBFZJTYGKHRE-XJKSGUPXSA-N 0 0 416.261 2.974 20 5 HFBDRN O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1ccc([N+](=O)[O-])s1 ZINC000793103773 1078078091 /nfs/dbraw/zinc/07/80/91/1078078091.db2.gz UWWYMBSYOOTDSO-UHFFFAOYSA-N 0 0 410.205 2.784 20 5 HFBDRN Cn1c(C(=O)OCc2nnc(C(=O)Nc3ccc(F)cc3)s2)ccc1[N+](=O)[O-] ZINC000746938336 1078089985 /nfs/dbraw/zinc/08/99/85/1078089985.db2.gz HYZHJRBRHLVOEV-UHFFFAOYSA-N 0 0 405.367 2.533 20 5 HFBDRN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000790659106 1078095699 /nfs/dbraw/zinc/09/56/99/1078095699.db2.gz ZVYMRNWXKGYRDA-UHFFFAOYSA-N 0 0 403.303 2.645 20 5 HFBDRN CCCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000790707882 1078102155 /nfs/dbraw/zinc/10/21/55/1078102155.db2.gz QQKRKLXZCKZAHC-GFCCVEGCSA-N 0 0 406.863 2.746 20 5 HFBDRN CCCCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000790707884 1078102171 /nfs/dbraw/zinc/10/21/71/1078102171.db2.gz QQKRKLXZCKZAHC-LBPRGKRZSA-N 0 0 406.863 2.746 20 5 HFBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)Cn2ccc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000790723809 1078115648 /nfs/dbraw/zinc/11/56/48/1078115648.db2.gz RMNBUYNHBQUCBD-CQSZACIVSA-N 0 0 409.398 2.789 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCc1nnnn1Cc1ccccc1 ZINC000790740954 1078121339 /nfs/dbraw/zinc/12/13/39/1078121339.db2.gz AAEUFSRGBJKHNY-UHFFFAOYSA-N 0 0 405.773 2.708 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000790744659 1078122927 /nfs/dbraw/zinc/12/29/27/1078122927.db2.gz DFGPGLWDUOPBLR-GDBMZVCRSA-N 0 0 414.817 2.643 20 5 HFBDRN O=C(N[C@H]1CCc2n[nH]cc2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790776522 1078130627 /nfs/dbraw/zinc/13/06/27/1078130627.db2.gz ARTFHXSNWMOEEM-NSHDSACASA-N 0 0 420.267 2.706 20 5 HFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000790782717 1078133274 /nfs/dbraw/zinc/13/32/74/1078133274.db2.gz QUSSWUZWLMQPRD-CHIMOYNISA-N 0 0 422.381 2.666 20 5 HFBDRN CCc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1 ZINC000790838363 1078141082 /nfs/dbraw/zinc/14/10/82/1078141082.db2.gz NSGIORSKRBFUGI-UHFFFAOYSA-N 0 0 414.465 2.660 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790844719 1078146260 /nfs/dbraw/zinc/14/62/60/1078146260.db2.gz ZQMSLSVGITVXAS-AWEZNQCLSA-N 0 0 413.496 2.889 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCc3ccccc3CC2)c(C)c1[N+](=O)[O-] ZINC000790849696 1078148600 /nfs/dbraw/zinc/14/86/00/1078148600.db2.gz DNHSIUOARZPBPT-UHFFFAOYSA-N 0 0 405.432 2.909 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(C)c1[N+](=O)[O-] ZINC000790852667 1078150621 /nfs/dbraw/zinc/15/06/21/1078150621.db2.gz JGIRKBLJAZMJEW-IUIKQTSFSA-N 0 0 413.452 2.602 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)Cc2cccc(O)c2)c(C)c1[N+](=O)[O-] ZINC000790853862 1078151184 /nfs/dbraw/zinc/15/11/84/1078151184.db2.gz WQTZYDKUFXVQQB-JTQLQIEISA-N 0 0 409.420 2.735 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790856272 1078151850 /nfs/dbraw/zinc/15/18/50/1078151850.db2.gz IMCBGISPKOSOJT-ZBEGNZNMSA-N 0 0 423.447 2.910 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000790855812 1078152188 /nfs/dbraw/zinc/15/21/88/1078152188.db2.gz DBVYWBQXSFKCGW-IAQYHMDHSA-N 0 0 423.451 2.588 20 5 HFBDRN CC(=O)Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790819049 1078154489 /nfs/dbraw/zinc/15/44/89/1078154489.db2.gz AVHPIZRONFSTEV-UHFFFAOYSA-N 0 0 409.376 2.846 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000790827059 1078158409 /nfs/dbraw/zinc/15/84/09/1078158409.db2.gz QZFHQQUNFOJHBY-UHFFFAOYSA-N 0 0 413.496 2.889 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1[N+](=O)[O-] ZINC000790827682 1078158988 /nfs/dbraw/zinc/15/89/88/1078158988.db2.gz WXNVQNYMMDAYGJ-UHFFFAOYSA-N 0 0 420.447 2.631 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000790830037 1078159456 /nfs/dbraw/zinc/15/94/56/1078159456.db2.gz ZTJOGHNBOAHWKZ-UHFFFAOYSA-N 0 0 413.383 2.616 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccccn3)C2)c1[N+](=O)[O-] ZINC000790828696 1078159464 /nfs/dbraw/zinc/15/94/64/1078159464.db2.gz CFUOCCWDNOJUMN-OAHLLOKOSA-N 0 0 418.475 2.646 20 5 HFBDRN Cc1noc(C)c1[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790866513 1078163552 /nfs/dbraw/zinc/16/35/52/1078163552.db2.gz FWWBZLQCGAUIAJ-QMMMGPOBSA-N 0 0 412.424 2.807 20 5 HFBDRN Cc1cc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)CC2)[nH]n1 ZINC000790870508 1078166368 /nfs/dbraw/zinc/16/63/68/1078166368.db2.gz PTGIPWDKAFRVGZ-UHFFFAOYSA-N 0 0 423.451 2.720 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000790873233 1078167921 /nfs/dbraw/zinc/16/79/21/1078167921.db2.gz JMUPUFYAKQXHPF-UHFFFAOYSA-N 0 0 418.874 2.890 20 5 HFBDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 ZINC000790895111 1078175147 /nfs/dbraw/zinc/17/51/47/1078175147.db2.gz CSZUZBYRSZOBAV-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN COc1ccc(OS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000790897117 1078176320 /nfs/dbraw/zinc/17/63/20/1078176320.db2.gz WZTBKWFODMAIMV-UHFFFAOYSA-N 0 0 420.321 2.872 20 5 HFBDRN CS(=O)(=O)CC1(CC(=O)OCc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000747122798 1078177393 /nfs/dbraw/zinc/17/73/93/1078177393.db2.gz RLUILBRYDWTCAY-UHFFFAOYSA-N 0 0 406.254 2.615 20 5 HFBDRN COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1 ZINC000790863294 1078180472 /nfs/dbraw/zinc/18/04/72/1078180472.db2.gz PPCJIXFLDUMFOU-UHFFFAOYSA-N 0 0 409.420 2.915 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCOC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000790862771 1078181213 /nfs/dbraw/zinc/18/12/13/1078181213.db2.gz UDWKTVKGLVUQFD-ZDUSSCGKSA-N 0 0 413.452 2.890 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000790864344 1078181455 /nfs/dbraw/zinc/18/14/55/1078181455.db2.gz YPPRMKVBEBWTBE-MSOLQXFVSA-N 0 0 420.487 2.725 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc3nccnc3c2)c(C)c1[N+](=O)[O-] ZINC000790865487 1078182086 /nfs/dbraw/zinc/18/20/86/1078182086.db2.gz DVJDUTVVYHUFNP-UHFFFAOYSA-N 0 0 404.360 2.831 20 5 HFBDRN O=C(OCCCn1nc2ccccn2c1=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000790917860 1078183051 /nfs/dbraw/zinc/18/30/51/1078183051.db2.gz YOWCDBGRZSVXIB-UHFFFAOYSA-N 0 0 410.308 2.670 20 5 HFBDRN CC1(C)CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@@H](C(F)(F)F)O1 ZINC000793680133 1078252031 /nfs/dbraw/zinc/25/20/31/1078252031.db2.gz UVCGVYFLBOMEQZ-HNNXBMFYSA-N 0 0 412.368 2.818 20 5 HFBDRN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000793768070 1078283229 /nfs/dbraw/zinc/28/32/29/1078283229.db2.gz GCEOWJGEQOOPOI-MRXNPFEDSA-N 0 0 411.458 2.978 20 5 HFBDRN COc1ccc(C[C@@](C)(O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000793903932 1078333697 /nfs/dbraw/zinc/33/36/97/1078333697.db2.gz AHNLCPGGTWSUGE-FTUXVVSKSA-N 0 0 400.431 2.735 20 5 HFBDRN COc1ccc(C[C@](C)(O)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC000793905257 1078333864 /nfs/dbraw/zinc/33/38/64/1078333864.db2.gz DRFOANSSTVGXPG-IBGZPJMESA-N 0 0 408.838 2.989 20 5 HFBDRN COCN1C(=O)CCc2cc(NC(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)ccc21 ZINC000793906821 1078334463 /nfs/dbraw/zinc/33/44/63/1078334463.db2.gz AASKFCAAIALYRO-UHFFFAOYSA-N 0 0 421.413 2.916 20 5 HFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000794038339 1078363674 /nfs/dbraw/zinc/36/36/74/1078363674.db2.gz MYLJRSNYDRAKSD-MRXNPFEDSA-N 0 0 412.446 2.956 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3ccc4c(c3)CCN4C)CC2)ccc1[N+](=O)[O-] ZINC000794041645 1078364185 /nfs/dbraw/zinc/36/41/85/1078364185.db2.gz IAYRCLDJDIRPED-UHFFFAOYSA-N 0 0 410.474 2.948 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000794047943 1078365700 /nfs/dbraw/zinc/36/57/00/1078365700.db2.gz MSZIRTVBCHRZSO-UHFFFAOYSA-N 0 0 422.482 2.557 20 5 HFBDRN COc1cc(OCC(=O)Nc2ccc(F)c(N3CCOC3=O)c2)ccc1[N+](=O)[O-] ZINC000794105857 1078372756 /nfs/dbraw/zinc/37/27/56/1078372756.db2.gz BEUXHGAPCZLXTQ-UHFFFAOYSA-N 0 0 405.338 2.717 20 5 HFBDRN Cc1cccc(CC2(O)CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])CC2)c1 ZINC000794136761 1078377054 /nfs/dbraw/zinc/37/70/54/1078377054.db2.gz OXEQZNWSISZOOJ-UHFFFAOYSA-N 0 0 412.442 2.691 20 5 HFBDRN CN(CC(=O)O[C@H]1CCCc2cc(F)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000747177902 1078377099 /nfs/dbraw/zinc/37/70/99/1078377099.db2.gz AIBPTSQQQCMMAV-SFHVURJKSA-N 0 0 422.434 2.975 20 5 HFBDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)no1 ZINC000794173333 1078380597 /nfs/dbraw/zinc/38/05/97/1078380597.db2.gz VGIUFNQYWSATOA-CYBMUJFWSA-N 0 0 403.439 2.994 20 5 HFBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1N1C(=O)CNC1=O ZINC000794268143 1078397540 /nfs/dbraw/zinc/39/75/40/1078397540.db2.gz ZDYNETAQXPRJTB-UHFFFAOYSA-N 0 0 423.429 2.812 20 5 HFBDRN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000794278843 1078399392 /nfs/dbraw/zinc/39/93/92/1078399392.db2.gz HSCZCDRNJWIWBS-MRXNPFEDSA-N 0 0 400.391 2.511 20 5 HFBDRN Cc1c(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cnn1C ZINC000794278389 1078399634 /nfs/dbraw/zinc/39/96/34/1078399634.db2.gz IXIDOZKGCWCYFU-UHFFFAOYSA-N 0 0 411.384 2.547 20 5 HFBDRN CN(C)C(=O)Nc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000794363099 1078426110 /nfs/dbraw/zinc/42/61/10/1078426110.db2.gz SLHHGDSPTOFQNJ-UHFFFAOYSA-N 0 0 415.406 2.846 20 5 HFBDRN CC1CCN(c2ccc(C(=O)NC(C)(C)C(=O)N3CCCC3)cc2[N+](=O)[O-])CC1 ZINC000794408583 1078428749 /nfs/dbraw/zinc/42/87/49/1078428749.db2.gz VCZQRBWZNJSRPI-UHFFFAOYSA-N 0 0 402.495 2.962 20 5 HFBDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000804405525 1078456546 /nfs/dbraw/zinc/45/65/46/1078456546.db2.gz NBZGQQYQECKWGJ-CYBMUJFWSA-N 0 0 419.482 2.621 20 5 HFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)NCCc1ccc(Br)cc1Cl ZINC001129447691 1078456878 /nfs/dbraw/zinc/45/68/78/1078456878.db2.gz PCDQENLUEKIRNO-UHFFFAOYSA-N 0 0 401.648 2.875 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1 ZINC000804431495 1078477117 /nfs/dbraw/zinc/47/71/17/1078477117.db2.gz SFWGVHZSUDCXMT-UHFFFAOYSA-N 0 0 408.455 2.860 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](C)[S@@]1=O ZINC000804436598 1078482045 /nfs/dbraw/zinc/48/20/45/1078482045.db2.gz QUOPFKKMONTTPV-NUHDDLEISA-N 0 0 407.261 2.868 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000804453453 1078493842 /nfs/dbraw/zinc/49/38/42/1078493842.db2.gz YHILBRCXOYFZOB-UHFFFAOYSA-N 0 0 402.495 2.934 20 5 HFBDRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804657478 1078488765 /nfs/dbraw/zinc/48/87/65/1078488765.db2.gz QKVCJWAKWWOYEQ-HNNXBMFYSA-N 0 0 408.411 2.515 20 5 HFBDRN CCS(=O)(=O)Cc1ccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC001129785381 1078494859 /nfs/dbraw/zinc/49/48/59/1078494859.db2.gz NWNZGGHEQZTMBV-UHFFFAOYSA-N 0 0 414.443 2.968 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1COC(=O)N1CCC[C@@H](C)C1 ZINC000804670282 1078503835 /nfs/dbraw/zinc/50/38/35/1078503835.db2.gz BKIGLOXREHQVNR-NVXWUHKLSA-N 0 0 421.498 2.739 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000804669686 1078502252 /nfs/dbraw/zinc/50/22/52/1078502252.db2.gz VWRVTOUKIWHHQM-UONOGXRCSA-N 0 0 407.471 2.744 20 5 HFBDRN COCCO[C@H]1C[C@H](CO)CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804669930 1078504750 /nfs/dbraw/zinc/50/47/50/1078504750.db2.gz XIJRLFZVWDEHQD-STQMWFEESA-N 0 0 403.273 2.516 20 5 HFBDRN CS(=O)(=O)c1ccccc1-n1cc(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cn1 ZINC000804442033 1078507012 /nfs/dbraw/zinc/50/70/12/1078507012.db2.gz YPIVGMMHUGFHBE-UHFFFAOYSA-N 0 0 403.376 2.836 20 5 HFBDRN Cc1ccc([C@@H](O)[C@H](C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000804481158 1078520517 /nfs/dbraw/zinc/52/05/17/1078520517.db2.gz VHBJPPJGEYWDQY-SGTLLEGYSA-N 0 0 405.838 2.525 20 5 HFBDRN COc1ccc(CSCC(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC001129829513 1078523439 /nfs/dbraw/zinc/52/34/39/1078523439.db2.gz APSZLTHQSAOUHD-INIZCTEOSA-N 0 0 421.519 2.840 20 5 HFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ccc(C)cn1 ZINC001129516126 1078528586 /nfs/dbraw/zinc/52/85/86/1078528586.db2.gz CDJMIFDOKVIMPH-UHFFFAOYSA-N 0 0 403.460 2.926 20 5 HFBDRN CCOC(=O)c1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)cc([N+](=O)[O-])c1 ZINC001129845863 1078529509 /nfs/dbraw/zinc/52/95/09/1078529509.db2.gz HKARJPJLCSEJTG-SSDOTTSWSA-N 0 0 402.285 2.664 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@@H]2CC(c3ccc(OC)cc3)=NO2)c1[N+](=O)[O-] ZINC000804693992 1078534352 /nfs/dbraw/zinc/53/43/52/1078534352.db2.gz KUQQPSUQGOODAC-AWEZNQCLSA-N 0 0 400.391 2.699 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2COCc3ccccc32)ccc1[N+](=O)[O-] ZINC001129852858 1078534740 /nfs/dbraw/zinc/53/47/40/1078534740.db2.gz BAPIVGKNNNBRKL-ICSRJNTNSA-N 0 0 409.442 2.896 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2COCc3ccccc32)ccc1[N+](=O)[O-] ZINC001129852860 1078534750 /nfs/dbraw/zinc/53/47/50/1078534750.db2.gz BAPIVGKNNNBRKL-UYAOXDASSA-N 0 0 409.442 2.896 20 5 HFBDRN O=C(NCCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804695535 1078535618 /nfs/dbraw/zinc/53/56/18/1078535618.db2.gz NMMRMGDPYFHORM-UHFFFAOYSA-N 0 0 422.283 2.974 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)n1 ZINC000804694816 1078537326 /nfs/dbraw/zinc/53/73/26/1078537326.db2.gz WERSYYDYGNWXIX-ZDUSSCGKSA-N 0 0 400.391 2.699 20 5 HFBDRN COC(=O)[C@H](CSc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])NC(C)=O ZINC000804711455 1078552151 /nfs/dbraw/zinc/55/21/51/1078552151.db2.gz KXRRSRUUFCKARU-HNNXBMFYSA-N 0 0 402.428 2.596 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000804496593 1078552526 /nfs/dbraw/zinc/55/25/26/1078552526.db2.gz YFRCLLOJSWMQCZ-BXUZGUMPSA-N 0 0 408.455 2.824 20 5 HFBDRN O=C(c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)N1CCSC2(CCC2)CC1 ZINC001129835112 1078545222 /nfs/dbraw/zinc/54/52/22/1078545222.db2.gz OGEQQNIEMJQGIO-UHFFFAOYSA-N 0 0 403.460 2.750 20 5 HFBDRN O=c1[nH]c(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)nc2ccc([N+](=O)[O-])cc12 ZINC000804490226 1078548115 /nfs/dbraw/zinc/54/81/15/1078548115.db2.gz GBLWCJLIRQOOCM-CQSZACIVSA-N 0 0 418.793 2.814 20 5 HFBDRN Cc1ccc([C@@H](O)[C@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000804492020 1078549492 /nfs/dbraw/zinc/54/94/92/1078549492.db2.gz FOXLYMYPEVBRMM-XOBRGWDASA-N 0 0 413.430 2.830 20 5 HFBDRN Cc1ccc([C@H](O)[C@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000804492018 1078549500 /nfs/dbraw/zinc/54/95/00/1078549500.db2.gz FOXLYMYPEVBRMM-VBKZILBWSA-N 0 0 413.430 2.830 20 5 HFBDRN CC1(C)CCc2sc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)nc21 ZINC001129892816 1078563450 /nfs/dbraw/zinc/56/34/50/1078563450.db2.gz JYFIVTXQQPGGBY-UHFFFAOYSA-N 0 0 402.432 2.639 20 5 HFBDRN CN(CC(=O)N1CCOC[C@@H]1CC(F)F)c1cc(Br)ccc1[N+](=O)[O-] ZINC000804722711 1078561877 /nfs/dbraw/zinc/56/18/77/1078561877.db2.gz MOPOWJIXQQELOS-NSHDSACASA-N 0 0 422.226 2.676 20 5 HFBDRN NC(=O)c1ccc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c([N+](=O)[O-])c1 ZINC000804703618 1078567223 /nfs/dbraw/zinc/56/72/23/1078567223.db2.gz RWUAOORMVFPRTL-UHFFFAOYSA-N 0 0 421.207 2.927 20 5 HFBDRN COC(=O)c1cc(C)nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000804544601 1078572741 /nfs/dbraw/zinc/57/27/41/1078572741.db2.gz NGGWPZBTOMIZNF-UHFFFAOYSA-N 0 0 408.455 2.921 20 5 HFBDRN COCCOc1ccnc(NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)n1 ZINC001129600107 1078574168 /nfs/dbraw/zinc/57/41/68/1078574168.db2.gz TXYBRVOXQYEEBV-UHFFFAOYSA-N 0 0 411.212 2.733 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000804553258 1078578870 /nfs/dbraw/zinc/57/88/70/1078578870.db2.gz MWLYMMZPTAONHJ-SUMWQHHRSA-N 0 0 423.466 2.808 20 5 HFBDRN Cc1nc(-c2ccccn2)sc1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129609873 1078580437 /nfs/dbraw/zinc/58/04/37/1078580437.db2.gz FWZJGWGCGQGBPR-UHFFFAOYSA-N 0 0 410.459 2.779 20 5 HFBDRN O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129610542 1078580823 /nfs/dbraw/zinc/58/08/23/1078580823.db2.gz OFEBMPRDZMDEQO-CQSZACIVSA-N 0 0 402.838 2.543 20 5 HFBDRN CS(=O)(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC001129894839 1078588907 /nfs/dbraw/zinc/58/89/07/1078588907.db2.gz ZPGLMHNPMVEUEY-UHFFFAOYSA-N 0 0 417.487 2.919 20 5 HFBDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2nn[nH]n2)ccc1F ZINC001129613412 1078591739 /nfs/dbraw/zinc/59/17/39/1078591739.db2.gz RQRKOKLVHVKRHZ-QMMMGPOBSA-N 0 0 406.761 2.973 20 5 HFBDRN CCNc1ccc(C(=O)N2CCN(c3ccc(C(=O)OC)s3)CC2)cc1[N+](=O)[O-] ZINC001129617148 1078593762 /nfs/dbraw/zinc/59/37/62/1078593762.db2.gz NRDCOQPNAZXROQ-UHFFFAOYSA-N 0 0 418.475 2.837 20 5 HFBDRN CCc1ccc([C@@H](O)CNc2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000804775119 1078601389 /nfs/dbraw/zinc/60/13/89/1078601389.db2.gz CAZCYTQGBMPGOT-DJJJIMSYSA-N 0 0 415.446 2.594 20 5 HFBDRN CCOC(=O)c1cnn(C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)c1C ZINC000804770144 1078598435 /nfs/dbraw/zinc/59/84/35/1078598435.db2.gz VOCYMRTWGRKBCE-UHFFFAOYSA-N 0 0 400.395 2.654 20 5 HFBDRN Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2=O)cc1 ZINC000804769898 1078598515 /nfs/dbraw/zinc/59/85/15/1078598515.db2.gz RVZUVNOATJUVOI-UHFFFAOYSA-N 0 0 408.458 2.992 20 5 HFBDRN Cc1ccc(N2CCN(c3ccc(C(=O)c4nccn4C)cc3[N+](=O)[O-])CC2=O)cc1 ZINC000804769877 1078598984 /nfs/dbraw/zinc/59/89/84/1078598984.db2.gz UDARLAGIWYGIJZ-UHFFFAOYSA-N 0 0 419.441 2.721 20 5 HFBDRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001129940063 1078602414 /nfs/dbraw/zinc/60/24/14/1078602414.db2.gz LUKPOHRTEUPXAF-RKVPGOIHSA-N 0 0 415.471 2.690 20 5 HFBDRN Cc1c(Br)ccc2c1N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CCC2 ZINC001129639702 1078617370 /nfs/dbraw/zinc/61/73/70/1078617370.db2.gz VVQZNUSCWACQIF-UHFFFAOYSA-N 0 0 406.236 2.807 20 5 HFBDRN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H]1C(=O)OC(C)(C)C ZINC001129950196 1078625540 /nfs/dbraw/zinc/62/55/40/1078625540.db2.gz DMJFDBABPBRCLL-BLLLJJGKSA-N 0 0 406.435 2.948 20 5 HFBDRN CNc1c(C(=O)NC[C@@]2(COC)CCCN2C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000804795298 1078628986 /nfs/dbraw/zinc/62/89/86/1078628986.db2.gz ZFJXSHGJIKUOGX-HXUWFJFHSA-N 0 0 422.482 2.782 20 5 HFBDRN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000804807982 1078638030 /nfs/dbraw/zinc/63/80/30/1078638030.db2.gz CWJPHKAZGZHEAF-OCBFHLPVSA-N 0 0 414.427 2.624 20 5 HFBDRN CC[C@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000804580168 1078638117 /nfs/dbraw/zinc/63/81/17/1078638117.db2.gz XBDHKEPLCNEBAX-QWHCGFSZSA-N 0 0 408.455 2.906 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)N(C[C@H]3CCC(=O)N3)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC001129961976 1078635941 /nfs/dbraw/zinc/63/59/41/1078635941.db2.gz JZEPUQKCIIZOFU-GOSISDBHSA-N 0 0 413.478 2.586 20 5 HFBDRN COc1nccc2c(NC(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])cccc12 ZINC001129655565 1078641226 /nfs/dbraw/zinc/64/12/26/1078641226.db2.gz KOFSAYWZYRUMDD-UHFFFAOYSA-N 0 0 412.427 2.981 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(N2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1Cl ZINC000804790361 1078646512 /nfs/dbraw/zinc/64/65/12/1078646512.db2.gz DAVRRPSMMDOKMI-AWEZNQCLSA-N 0 0 410.732 2.967 20 5 HFBDRN Cc1c(NC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)cccc1S(=O)(=O)N(C)C ZINC001129684218 1078647960 /nfs/dbraw/zinc/64/79/60/1078647960.db2.gz AJXRRESIDJQOEW-HOTGVXAUSA-N 0 0 403.460 2.896 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCOC[C@H]1CC(F)F ZINC000804826171 1078665818 /nfs/dbraw/zinc/66/58/18/1078665818.db2.gz QIZIIUDJTJBVSL-MRVPVSSYSA-N 0 0 404.313 2.749 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000804833747 1078673301 /nfs/dbraw/zinc/67/33/01/1078673301.db2.gz JQZIKSBBVWEFAO-CYBMUJFWSA-N 0 0 411.890 2.775 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC(Oc3cncc(Cl)n3)CC2)c1[N+](=O)[O-] ZINC000804624510 1078674233 /nfs/dbraw/zinc/67/42/33/1078674233.db2.gz YOOXUHSRHPEMIZ-UHFFFAOYSA-N 0 0 407.814 2.576 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804834724 1078675006 /nfs/dbraw/zinc/67/50/06/1078675006.db2.gz LWGLDEIXNYLNDM-AWEZNQCLSA-N 0 0 424.473 2.874 20 5 HFBDRN 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CN(C)c1cc(F)c(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000791366758 1077394675 /nfs/dbraw/zinc/39/46/75/1077394675.db2.gz NCKQWHOGDVLXJL-OAHLLOKOSA-N 0 0 420.828 2.989 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000791393906 1077397472 /nfs/dbraw/zinc/39/74/72/1077397472.db2.gz UBIDRRRMBAMPSB-CQSZACIVSA-N 0 0 410.764 2.644 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000791393707 1077397809 /nfs/dbraw/zinc/39/78/09/1077397809.db2.gz SKJULANNKMELNQ-CQSZACIVSA-N 0 0 410.764 2.644 20 5 HFBDRN CC[C@@H](OC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)C(=O)OC(C)(C)C ZINC000791406926 1077401317 /nfs/dbraw/zinc/40/13/17/1077401317.db2.gz NCEBAUOSHKZYMP-SNVBAGLBSA-N 0 0 412.351 2.551 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)Cc1ccccc1 ZINC000791432805 1077405785 /nfs/dbraw/zinc/40/57/85/1077405785.db2.gz DKWNSWDXBMVHTQ-UHFFFAOYSA-N 0 0 417.443 2.695 20 5 HFBDRN 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ZINC000746790465 1077445597 /nfs/dbraw/zinc/44/55/97/1077445597.db2.gz MNOIDURCOWHXKL-UHFFFAOYSA-N 0 0 412.446 2.849 20 5 HFBDRN COc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000746791934 1077460590 /nfs/dbraw/zinc/46/05/90/1077460590.db2.gz ZNSHKYBCLNCDNE-UHFFFAOYSA-N 0 0 418.425 2.842 20 5 HFBDRN O=C(COC(=O)[C@H]1Cc2cc(Br)ccc2O1)Nc1cccc([N+](=O)[O-])c1 ZINC000791570106 1077464827 /nfs/dbraw/zinc/46/48/27/1077464827.db2.gz YFPFIEXBVBNQDI-OAHLLOKOSA-N 0 0 421.203 2.843 20 5 HFBDRN CC1(C)COc2c1cccc2C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000789245681 1077470201 /nfs/dbraw/zinc/47/02/01/1077470201.db2.gz QIJOSRHGEFWSAH-UHFFFAOYSA-N 0 0 414.370 2.789 20 5 HFBDRN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cn1 ZINC000772778122 1077503290 /nfs/dbraw/zinc/50/32/90/1077503290.db2.gz PGNMJXABLZJVII-INIZCTEOSA-N 0 0 411.462 2.806 20 5 HFBDRN C[C@H]1CCCN(c2ccc(C(=O)OC[C@@H]3CCCS(=O)(=O)C3)cc2[N+](=O)[O-])C1 ZINC000791644240 1077507323 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HBMDILODJDJJIX-ZDUSSCGKSA-N 0 0 404.394 2.955 20 5 HFBDRN COc1cc(NC(=O)COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000791692823 1077530505 /nfs/dbraw/zinc/53/05/05/1077530505.db2.gz GRQHCXIYLFKBED-UHFFFAOYSA-N 0 0 404.375 2.725 20 5 HFBDRN COc1cncc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000791698430 1077531943 /nfs/dbraw/zinc/53/19/43/1077531943.db2.gz QSNWWDDEKSRJCU-QMMMGPOBSA-N 0 0 414.296 2.596 20 5 HFBDRN COc1ccc(OC)c(C2=NO[C@H](C(=O)Nc3ccc(OC)c([N+](=O)[O-])c3)C2)c1 ZINC000791701883 1077532997 /nfs/dbraw/zinc/53/29/97/1077532997.db2.gz AQGQCNUNECMFNK-SFHVURJKSA-N 0 0 401.375 2.752 20 5 HFBDRN O=C(OCCO[C@H]1CCCCO1)c1cc([N+](=O)[O-])ccc1I ZINC000791721423 1077539328 /nfs/dbraw/zinc/53/93/28/1077539328.db2.gz XPAKJLODHKGIRB-ZDUSSCGKSA-N 0 0 421.187 2.899 20 5 HFBDRN CCCOc1nc(C)ccc1C(=O)OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000791735351 1077543875 /nfs/dbraw/zinc/54/38/75/1077543875.db2.gz ZDMSCOXHYQCMFO-UHFFFAOYSA-N 0 0 403.391 2.891 20 5 HFBDRN Cc1cnc(COC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)c(C)c1[N+](=O)[O-] ZINC000789430439 1077558371 /nfs/dbraw/zinc/55/83/71/1077558371.db2.gz AYXOONWCXMKUMN-UHFFFAOYSA-N 0 0 422.459 2.913 20 5 HFBDRN COc1cc(C(=O)OCCCn2c(=O)[nH]c3ccccc3c2=O)cc([N+](=O)[O-])c1C ZINC000791797258 1077560309 /nfs/dbraw/zinc/56/03/09/1077560309.db2.gz WRQLKHCJWMHNMO-UHFFFAOYSA-N 0 0 413.386 2.574 20 5 HFBDRN Cc1cnc(COC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c(C)c1[N+](=O)[O-] ZINC000789432873 1077570204 /nfs/dbraw/zinc/57/02/04/1077570204.db2.gz QOSRPKBAMLCWHJ-CQSZACIVSA-N 0 0 409.439 2.676 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746816848 1077571081 /nfs/dbraw/zinc/57/10/81/1077571081.db2.gz WPBMIWJXMRSYKP-OAHLLOKOSA-N 0 0 406.483 2.746 20 5 HFBDRN COc1ccc([C@H](CC(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)NC(C)=O)cc1 ZINC000789439031 1077572720 /nfs/dbraw/zinc/57/27/20/1077572720.db2.gz WSLRCXSJBFWTJU-KRWDZBQOSA-N 0 0 401.419 2.926 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c(C)c1[N+](=O)[O-] ZINC000789445317 1077577717 /nfs/dbraw/zinc/57/77/17/1077577717.db2.gz DYIGFCQRNAJFIZ-OKILXGFUSA-N 0 0 400.435 2.972 20 5 HFBDRN Cc1cnc(COC(=O)c2nccn3c(Br)cnc23)c(C)c1[N+](=O)[O-] ZINC000789447495 1077578291 /nfs/dbraw/zinc/57/82/91/1077578291.db2.gz RUHWKDVQJJCNMK-UHFFFAOYSA-N 0 0 406.196 2.769 20 5 HFBDRN CC1CCC(N2C[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2=O)CC1 ZINC000791885231 1077585714 /nfs/dbraw/zinc/58/57/14/1077585714.db2.gz TYZZNPYPSIQWOS-BLZCZZARSA-N 0 0 405.407 2.973 20 5 HFBDRN COC(=O)COc1ccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000789484976 1077588755 /nfs/dbraw/zinc/58/87/55/1077588755.db2.gz FFWKCEIGNZSENH-UHFFFAOYSA-N 0 0 423.466 2.636 20 5 HFBDRN COC(=O)COc1ccc(CN(C)Cc2ccn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000789495421 1077595461 /nfs/dbraw/zinc/59/54/61/1077595461.db2.gz FBJWTKJLAGOLRJ-UHFFFAOYSA-N 0 0 410.430 2.964 20 5 HFBDRN C[C@@H](OC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1ccnn1C 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/nfs/dbraw/zinc/63/63/21/1077636321.db2.gz FXOGOJHLEMBUBX-UKRRQHHQSA-N 0 0 421.450 2.690 20 5 HFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)Oc1ccc2c(c1)C(=O)NC2 ZINC000789548705 1077640052 /nfs/dbraw/zinc/64/00/52/1077640052.db2.gz ISVGQDYKVPNHSA-UHFFFAOYSA-N 0 0 416.411 2.713 20 5 HFBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(-n2cccn2)c1 ZINC000792005162 1077645679 /nfs/dbraw/zinc/64/56/79/1077645679.db2.gz HGOTUVRDHFCJGN-UHFFFAOYSA-N 0 0 423.429 2.878 20 5 HFBDRN CC(C)(C)c1ncsc1C(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000747056252 1077660227 /nfs/dbraw/zinc/66/02/27/1077660227.db2.gz LLWLADCRECMTAI-UHFFFAOYSA-N 0 0 407.404 2.873 20 5 HFBDRN O=C(OC[C@@H]1CCCS(=O)(=O)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000792158040 1077726325 /nfs/dbraw/zinc/72/63/25/1077726325.db2.gz MEBUZNRWKQCION-NSHDSACASA-N 0 0 421.421 2.941 20 5 HFBDRN COc1ccc(OC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000792123296 1077729412 /nfs/dbraw/zinc/72/94/12/1077729412.db2.gz HIGFJZPDPJOZLT-UHFFFAOYSA-N 0 0 420.443 2.997 20 5 HFBDRN COc1ccc(OC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000792123185 1077729467 /nfs/dbraw/zinc/72/94/67/1077729467.db2.gz CIMSJTWXAWXVHA-HNNXBMFYSA-N 0 0 414.414 2.826 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCCN1Cc1ccccn1 ZINC000792171840 1077733865 /nfs/dbraw/zinc/73/38/65/1077733865.db2.gz RMWHZTHTJBFTPM-QGZVFWFLSA-N 0 0 400.391 2.996 20 5 HFBDRN CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789707605 1077747805 /nfs/dbraw/zinc/74/78/05/1077747805.db2.gz AKXKGFXUPKNEDW-FQEVSTJZSA-N 0 0 419.441 2.654 20 5 HFBDRN C[C@@H](OC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000747067830 1077803107 /nfs/dbraw/zinc/80/31/07/1077803107.db2.gz DGIHCIIUZINWKA-QWHCGFSZSA-N 0 0 409.439 2.968 20 5 HFBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCCOc1ccc(Br)cc1 ZINC000789841972 1077817098 /nfs/dbraw/zinc/81/70/98/1077817098.db2.gz VWPUISFRDFOZMQ-UHFFFAOYSA-N 0 0 423.219 2.709 20 5 HFBDRN C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000789841683 1077817430 /nfs/dbraw/zinc/81/74/30/1077817430.db2.gz KPTXLPPLHDECLL-NSHDSACASA-N 0 0 422.340 2.741 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2nc3cccnc3s2)c([N+](=O)[O-])c1 ZINC000792371287 1077819778 /nfs/dbraw/zinc/81/97/78/1077819778.db2.gz JSRRFKXNVQUABV-SECBINFHSA-N 0 0 402.388 2.792 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1nc2cccnc2s1 ZINC000792392440 1077832282 /nfs/dbraw/zinc/83/22/82/1077832282.db2.gz ATWGBQWZLRKWEL-SECBINFHSA-N 0 0 402.388 2.792 20 5 HFBDRN Cc1c(Br)cc(N)cc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000792403147 1077836532 /nfs/dbraw/zinc/83/65/32/1077836532.db2.gz XYSSWXWTZPUEAV-UHFFFAOYSA-N 0 0 408.208 2.704 20 5 HFBDRN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000792443537 1077852027 /nfs/dbraw/zinc/85/20/27/1077852027.db2.gz FJCBMAQQHZWRTP-NSHDSACASA-N 0 0 407.364 2.892 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)CCc2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000747071602 1077858087 /nfs/dbraw/zinc/85/80/87/1077858087.db2.gz VCLJHSIRIFQYIU-NSHDSACASA-N 0 0 406.395 2.613 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000792413350 1077863016 /nfs/dbraw/zinc/86/30/16/1077863016.db2.gz UAVOKYTTZIPZHL-GFCCVEGCSA-N 0 0 408.455 2.603 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NCC(F)(F)F ZINC000792472562 1077872526 /nfs/dbraw/zinc/87/25/26/1077872526.db2.gz AKKOYLIGESOMDL-SSDOTTSWSA-N 0 0 413.146 2.890 20 5 HFBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789968585 1077875421 /nfs/dbraw/zinc/87/54/21/1077875421.db2.gz RFARYOBCCILZTD-UHFFFAOYSA-N 0 0 417.359 2.950 20 5 HFBDRN COc1ncccc1C(=O)COc1cc([N+](=O)[O-])ccc1I ZINC000789968464 1077875622 /nfs/dbraw/zinc/87/56/22/1077875622.db2.gz PNQQTGYLUADSEV-UHFFFAOYSA-N 0 0 414.155 2.865 20 5 HFBDRN O=C(NCc1ccc(Br)c(F)c1F)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001170174246 1077899709 /nfs/dbraw/zinc/89/97/09/1077899709.db2.gz OZISCIVVXMKEEV-CQSZACIVSA-N 0 0 401.163 2.985 20 5 HFBDRN CCC(CC)(CO)CNS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000790043414 1077909263 /nfs/dbraw/zinc/90/92/63/1077909263.db2.gz ZTZUTGWDDIRTMR-UHFFFAOYSA-N 0 0 409.302 2.743 20 5 HFBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C)[C@H]1CCCO1 ZINC000790044499 1077909704 /nfs/dbraw/zinc/90/97/04/1077909704.db2.gz ODPZWLZOQNNCSY-DGCLKSJQSA-N 0 0 407.286 2.902 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)cc1[N+](=O)[O-] ZINC000792588994 1077923569 /nfs/dbraw/zinc/92/35/69/1077923569.db2.gz MZTTWPOIERVSRH-UHFFFAOYSA-N 0 0 412.395 2.648 20 5 HFBDRN C[C@H](OC(=O)[C@@H]1CCCCN1Cc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000790075909 1077923828 /nfs/dbraw/zinc/92/38/28/1077923828.db2.gz LHZFQKXCOAWMMS-KXBFYZLASA-N 0 0 412.446 2.915 20 5 HFBDRN C[C@H](OC(=O)[C@H]1CCCCN1Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000790080313 1077925286 /nfs/dbraw/zinc/92/52/86/1077925286.db2.gz WFMOZWGTYMWDQY-HNAYVOBHSA-N 0 0 412.446 2.915 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000790047831 1077927688 /nfs/dbraw/zinc/92/76/88/1077927688.db2.gz IUGJTLWDPBTSJB-FZMZJTMJSA-N 0 0 419.297 2.902 20 5 HFBDRN CCCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H](COC)C(=O)OCC ZINC000792602089 1077930521 /nfs/dbraw/zinc/93/05/21/1077930521.db2.gz KDCNGEJQIPWONZ-CQSZACIVSA-N 0 0 417.256 2.788 20 5 HFBDRN C[C@H](O)CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC(F)F ZINC001170314831 1077941137 /nfs/dbraw/zinc/94/11/37/1077941137.db2.gz GKOLQIUPXGNVCE-JTQLQIEISA-N 0 0 400.407 2.605 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NN1C(=O)c2ccccc2C1=O ZINC000790089080 1077945583 /nfs/dbraw/zinc/94/55/83/1077945583.db2.gz GNSHNDATMHVGMH-UHFFFAOYSA-N 0 0 404.176 2.607 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170335512 1077946949 /nfs/dbraw/zinc/94/69/49/1077946949.db2.gz OVZHDNZLRZXFQR-WMLDXEAASA-N 0 0 409.483 2.760 20 5 HFBDRN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170354908 1077948917 /nfs/dbraw/zinc/94/89/17/1077948917.db2.gz RSCWACQUGOBFDZ-YQQAZPJKSA-N 0 0 416.478 2.987 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339402 1077952269 /nfs/dbraw/zinc/95/22/69/1077952269.db2.gz AZZVBYNBHHLPDZ-JTSKRJEESA-N 0 0 419.522 2.884 20 5 HFBDRN COc1cc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc([N+](=O)[O-])c1C ZINC000790120169 1077957718 /nfs/dbraw/zinc/95/77/18/1077957718.db2.gz LVASSAFIISQEPJ-UHFFFAOYSA-N 0 0 400.391 2.782 20 5 HFBDRN CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000790157014 1077961452 /nfs/dbraw/zinc/96/14/52/1077961452.db2.gz DEUUXLBDBHHYAC-DHZHZOJOSA-N 0 0 421.413 2.886 20 5 HFBDRN CCOC(=O)COc1ncc(N[C@@H]2CCc3ccc(OC)cc3C2)cc1[N+](=O)[O-] ZINC001170412139 1077966792 /nfs/dbraw/zinc/96/67/92/1077966792.db2.gz DYWSVXWSDXFUGQ-OAHLLOKOSA-N 0 0 401.419 2.910 20 5 HFBDRN CCOC(=O)COc1ncc(N[C@H]2CCc3ccc(OC)cc3C2)cc1[N+](=O)[O-] ZINC001170412137 1077966813 /nfs/dbraw/zinc/96/68/13/1077966813.db2.gz DYWSVXWSDXFUGQ-HNNXBMFYSA-N 0 0 401.419 2.910 20 5 HFBDRN CC(C)(C)OC(=O)N1CCc2ncn(Cc3cc(F)ccc3[N+](=O)[O-])c(=O)c2CC1 ZINC000792665642 1077967493 /nfs/dbraw/zinc/96/74/93/1077967493.db2.gz MDHGDILOXXPXLO-UHFFFAOYSA-N 0 0 418.425 2.675 20 5 HFBDRN CCn1cc([C@H]2C[S@](=O)CCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000792711551 1077972061 /nfs/dbraw/zinc/97/20/61/1077972061.db2.gz AOSYCLKRZARGML-WQIZZMQYSA-N 0 0 421.504 2.851 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc(C)c([N+](=O)[O-])c3)cc2CC1 ZINC000790241343 1077974951 /nfs/dbraw/zinc/97/49/51/1077974951.db2.gz AEUOVZOPAJGSQF-UHFFFAOYSA-N 0 0 404.444 2.618 20 5 HFBDRN COC(=O)c1cc(N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c([N+](=O)[O-])c1 ZINC000792737246 1077980466 /nfs/dbraw/zinc/98/04/66/1077980466.db2.gz XZAKGNVJESJDGA-OAHLLOKOSA-N 0 0 414.374 2.815 20 5 HFBDRN O=C(C1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000790277134 1077983087 /nfs/dbraw/zinc/98/30/87/1077983087.db2.gz MZLWCZUQYWOJMK-UHFFFAOYSA-N 0 0 401.385 2.775 20 5 HFBDRN COC[C@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1 ZINC000790286286 1077985625 /nfs/dbraw/zinc/98/56/25/1077985625.db2.gz YBROYCGXVPAIPU-JQWIXIFHSA-N 0 0 407.648 2.935 20 5 HFBDRN COC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@@H]1CCCO1 ZINC000790286287 1077985709 /nfs/dbraw/zinc/98/57/09/1077985709.db2.gz YBROYCGXVPAIPU-PWSUYJOCSA-N 0 0 407.648 2.935 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000790273055 1077992247 /nfs/dbraw/zinc/99/22/47/1077992247.db2.gz YVCDNHAXTIMJCC-IBGZPJMESA-N 0 0 405.495 2.591 20 5 HFBDRN C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000790272488 1077992429 /nfs/dbraw/zinc/99/24/29/1077992429.db2.gz PZKVUPVIDSMKAE-MRXNPFEDSA-N 0 0 420.510 2.873 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000792803429 1077996318 /nfs/dbraw/zinc/99/63/18/1077996318.db2.gz SKHMKWNIRJUZCI-INIZCTEOSA-N 0 0 418.402 2.596 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000792815177 1078002613 /nfs/dbraw/zinc/00/26/13/1078002613.db2.gz CFJGUTMIWZXUTB-AWEZNQCLSA-N 0 0 406.372 2.507 20 5 HFBDRN O=C(OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000792818257 1078004143 /nfs/dbraw/zinc/00/41/43/1078004143.db2.gz KFZKEIJTGCQQFE-CYBMUJFWSA-N 0 0 402.384 2.740 20 5 HFBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnc(OCC3CC3)cn2)cccc1[N+](=O)[O-] ZINC000792844877 1078013636 /nfs/dbraw/zinc/01/36/36/1078013636.db2.gz WYSNCBLUHDHGBW-GFCCVEGCSA-N 0 0 400.391 2.666 20 5 HFBDRN C[C@H](Cn1ncc2ccccc21)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000792850515 1078014325 /nfs/dbraw/zinc/01/43/25/1078014325.db2.gz HLHJIAWODLZFAV-AUUYWEPGSA-N 0 0 408.414 2.929 20 5 HFBDRN Cc1ccc([C@@H](CN2CCOCC2)NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792877975 1078016127 /nfs/dbraw/zinc/01/61/27/1078016127.db2.gz YIBHQRRZSOTRDO-LJQANCHMSA-N 0 0 400.435 2.975 20 5 HFBDRN COc1cc(Br)c(C[S@@](=O)CCn2cc([N+](=O)[O-])cn2)cc1OC ZINC000772821904 1078018136 /nfs/dbraw/zinc/01/81/36/1078018136.db2.gz ZODWWJHUONXNGQ-DEOSSOPVSA-N 0 0 418.269 2.520 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(C[C@H](O)COCc1ccco1)CC2 ZINC000792899327 1078019235 /nfs/dbraw/zinc/01/92/35/1078019235.db2.gz SKFLUTYDNHDDIE-LBPRGKRZSA-N 0 0 411.252 2.886 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000790411618 1078020711 /nfs/dbraw/zinc/02/07/11/1078020711.db2.gz ZKJQKMBJEXXCMS-QWHCGFSZSA-N 0 0 405.270 2.689 20 5 HFBDRN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000790433023 1078029042 /nfs/dbraw/zinc/02/90/42/1078029042.db2.gz GUQDHDWYDAQDKZ-BBRMVZONSA-N 0 0 424.450 2.741 20 5 HFBDRN Cc1cc(S(=O)(=O)NCc2ccn(Cc3ccccc3)n2)cc([N+](=O)[O-])c1F ZINC000790440318 1078032463 /nfs/dbraw/zinc/03/24/63/1078032463.db2.gz WHHKYCXSSJMYSD-UHFFFAOYSA-N 0 0 404.423 2.766 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000792952392 1078033801 /nfs/dbraw/zinc/03/38/01/1078033801.db2.gz HQBLFCAQMNZSKG-KRWDZBQOSA-N 0 0 403.410 2.820 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000792969613 1078038677 /nfs/dbraw/zinc/03/86/77/1078038677.db2.gz GAIRSWAYLXRJQV-QGZVFWFLSA-N 0 0 403.410 2.820 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c1F ZINC000790476659 1078040276 /nfs/dbraw/zinc/04/02/76/1078040276.db2.gz VLSNYFCYNUYUKY-UHFFFAOYSA-N 0 0 411.386 2.974 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000746917825 1078043397 /nfs/dbraw/zinc/04/33/97/1078043397.db2.gz GVNNDWVCMOCQRQ-OAHLLOKOSA-N 0 0 411.414 2.976 20 5 HFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000806368145 1079654790 /nfs/dbraw/zinc/65/47/90/1079654790.db2.gz UYROWKJLJUXJID-NSHDSACASA-N 0 0 411.256 2.834 20 5 HFBDRN CCOc1ccc(C(=O)N(C)[C@@H](C(=O)OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC001130629497 1079707940 /nfs/dbraw/zinc/70/79/40/1079707940.db2.gz JXLUGWPCLMPHMF-GOSISDBHSA-N 0 0 402.403 2.988 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000806508803 1079760009 /nfs/dbraw/zinc/76/00/09/1079760009.db2.gz VJYOTQBEZVEWHS-OAHLLOKOSA-N 0 0 405.329 2.953 20 5 HFBDRN CC[C@@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001130694622 1079879866 /nfs/dbraw/zinc/87/98/66/1079879866.db2.gz ORRLDQISHAJDGQ-WCQYABFASA-N 0 0 400.273 2.819 20 5 HFBDRN C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000806645173 1079900965 /nfs/dbraw/zinc/90/09/65/1079900965.db2.gz VZLNDXONDAZIKK-RDTXWAMCSA-N 0 0 401.444 2.990 20 5 HFBDRN Cc1csc(Sc2ccc(C(=O)O[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])n1 ZINC000747345091 1079952388 /nfs/dbraw/zinc/95/23/88/1079952388.db2.gz FPRIOAQAYXEUTA-LLVKDONJSA-N 0 0 414.486 2.855 20 5 HFBDRN CNc1nc(C)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000806766839 1079986863 /nfs/dbraw/zinc/98/68/63/1079986863.db2.gz INFRKUFKMHGZEA-UHFFFAOYSA-N 0 0 424.383 2.716 20 5 HFBDRN O=C(Nc1cccc(F)c1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000806843183 1080029487 /nfs/dbraw/zinc/02/94/87/1080029487.db2.gz GJXFYJNDJYXEHW-UHFFFAOYSA-N 0 0 406.801 2.675 20 5 HFBDRN CN(C)C(=O)[C@@](C)(NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001130767924 1080065902 /nfs/dbraw/zinc/06/59/02/1080065902.db2.gz WCYUODYMHIBWFO-GFCCVEGCSA-N 0 0 401.263 2.753 20 5 HFBDRN C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806881413 1080079307 /nfs/dbraw/zinc/07/93/07/1080079307.db2.gz MYEWYVFQOXGUQI-ZFWWWQNUSA-N 0 0 419.482 2.506 20 5 HFBDRN COc1ccc(N2C[C@@H](NC(=O)c3cc4ccccc4c([N+](=O)[O-])c3N)CC2=O)cc1 ZINC001130789495 1080146485 /nfs/dbraw/zinc/14/64/85/1080146485.db2.gz RPOAYMGXAKQDGR-AWEZNQCLSA-N 0 0 420.425 2.874 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@@H](CC)CO1 ZINC001130808122 1080177288 /nfs/dbraw/zinc/17/72/88/1080177288.db2.gz UBRCKCYSXXTMPZ-UONOGXRCSA-N 0 0 405.480 2.904 20 5 HFBDRN CO[C@@](C)(CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)COCc1ccccc1 ZINC001130798700 1080185473 /nfs/dbraw/zinc/18/54/73/1080185473.db2.gz LAYVRZWCVGWEGD-NRFANRHFSA-N 0 0 416.430 2.718 20 5 HFBDRN CCOc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC001130799062 1080186131 /nfs/dbraw/zinc/18/61/31/1080186131.db2.gz RURQHYZOPQEAAH-UHFFFAOYSA-N 0 0 421.475 2.870 20 5 HFBDRN C[C@@H](COc1c(F)cccc1F)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001130813931 1080212245 /nfs/dbraw/zinc/21/22/45/1080212245.db2.gz PJSNKJBHLDOEIE-LBPRGKRZSA-N 0 0 407.373 2.577 20 5 HFBDRN O=C(N[C@H]1CCC[C@H]1CCO)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000807156227 1080315084 /nfs/dbraw/zinc/31/50/84/1080315084.db2.gz YYRMLBBAVDLRLB-NHYWBVRUSA-N 0 0 412.284 2.976 20 5 HFBDRN 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ZINC000807297375 1080493527 /nfs/dbraw/zinc/49/35/27/1080493527.db2.gz BXTLNEOHKCEWER-UHFFFAOYSA-N 0 0 409.402 2.593 20 5 HFBDRN COCN1C(=O)CCc2cc(NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)ccc21 ZINC000807333840 1080533323 /nfs/dbraw/zinc/53/33/23/1080533323.db2.gz XUVLUPVCPMYHMW-UHFFFAOYSA-N 0 0 414.374 2.947 20 5 HFBDRN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)[S@@]1=O ZINC000807333995 1080533337 /nfs/dbraw/zinc/53/33/37/1080533337.db2.gz YXHOICIANQBXIM-YRQPMEPRSA-N 0 0 409.508 2.589 20 5 HFBDRN COc1ccc(S(=O)(=O)CCC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)cc1 ZINC001130954904 1080665492 /nfs/dbraw/zinc/66/54/92/1080665492.db2.gz RGYFAIYGHOYYKN-UHFFFAOYSA-N 0 0 415.427 2.954 20 5 HFBDRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1=O ZINC001130955008 1080665564 /nfs/dbraw/zinc/66/55/64/1080665564.db2.gz WBFNHWCBZAPULQ-NRFANRHFSA-N 0 0 419.397 2.549 20 5 HFBDRN CCCc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)n(C)n1 ZINC000807484770 1080667425 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Cc1ccc([C@@H](C)NC(=O)C(=O)Nc2cccc(Br)n2)cc1[N+](=O)[O-] ZINC000793004028 1078045857 /nfs/dbraw/zinc/04/58/57/1078045857.db2.gz YYZFUFQBXYNLFL-SNVBAGLBSA-N 0 0 407.224 2.877 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000790524070 1078050052 /nfs/dbraw/zinc/05/00/52/1078050052.db2.gz HVWUUBFALPYMOE-UHFFFAOYSA-N 0 0 420.784 2.620 20 5 HFBDRN O=C(COC(=O)CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000746919115 1078050499 /nfs/dbraw/zinc/05/04/99/1078050499.db2.gz RNWQPFYZFXTJRD-CYBMUJFWSA-N 0 0 415.377 2.807 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC(=O)N1CCc2ccccc2C1 ZINC000790551552 1078054475 /nfs/dbraw/zinc/05/44/75/1078054475.db2.gz MJGTUSQFCFXENS-UHFFFAOYSA-N 0 0 405.813 2.631 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccc2c(c1)CCS2(=O)=O ZINC000790557643 1078055543 /nfs/dbraw/zinc/05/55/43/1078055543.db2.gz GDGGVGVLIHCUNG-UHFFFAOYSA-N 0 0 412.826 2.576 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(c2ccccc2F)C1=O 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CCCOC(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)c1ccccc1 ZINC000772805276 1077917748 /nfs/dbraw/zinc/91/77/48/1077917748.db2.gz WNJZVPQSEHUHAH-KRWDZBQOSA-N 0 0 421.427 2.850 20 5 HFBDRN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1cccc(Br)c1Cl ZINC000790068540 1077920552 /nfs/dbraw/zinc/92/05/52/1077920552.db2.gz NAQSEPIRSSNZRW-UHFFFAOYSA-N 0 0 407.633 2.711 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000790047834 1077927795 /nfs/dbraw/zinc/92/77/95/1077927795.db2.gz IUGJTLWDPBTSJB-SMDDNHRTSA-N 0 0 419.297 2.902 20 5 HFBDRN CC[C@@]1(C)CN(S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)CCO1 ZINC000790050039 1077930558 /nfs/dbraw/zinc/93/05/58/1077930558.db2.gz VQDQXVAANIENOY-AWEZNQCLSA-N 0 0 407.286 2.855 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3Cl)cc2CC1 ZINC000790112907 1077941531 /nfs/dbraw/zinc/94/15/31/1077941531.db2.gz BXMHTYNIHJFUBU-UHFFFAOYSA-N 0 0 424.862 2.963 20 5 HFBDRN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000792621573 1077945017 /nfs/dbraw/zinc/94/50/17/1077945017.db2.gz LOQCMQCMMTZMOE-SFHVURJKSA-N 0 0 422.397 2.770 20 5 HFBDRN CCOC(=O)c1cnc2n1CCN([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170354890 1077948991 /nfs/dbraw/zinc/94/89/91/1077948991.db2.gz RKVJHIIQYRSVSN-KGLIPLIRSA-N 0 0 402.451 2.984 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)CCc1cc2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001170356514 1077949206 /nfs/dbraw/zinc/94/92/06/1077949206.db2.gz BQCGFHKSYAUBKV-JOCHJYFZSA-N 0 0 423.425 2.986 20 5 HFBDRN COc1ccc(NC(=O)CN(C)C2CC(NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170358158 1077949724 /nfs/dbraw/zinc/94/97/24/1077949724.db2.gz NNYKPFZAOLKESJ-UHFFFAOYSA-N 0 0 408.455 2.529 20 5 HFBDRN CNc1nccc(C(=O)N[C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)c1[N+](=O)[O-] ZINC001170364084 1077950798 /nfs/dbraw/zinc/95/07/98/1077950798.db2.gz GLWCBHNKZUGANS-IACUBPJLSA-N 0 0 403.236 2.862 20 5 HFBDRN CNc1nccc(C(=O)N[C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)c1[N+](=O)[O-] ZINC001170364085 1077950817 /nfs/dbraw/zinc/95/08/17/1077950817.db2.gz GLWCBHNKZUGANS-KWCYVHTRSA-N 0 0 403.236 2.862 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCc3onc(C(=O)NC(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001170339373 1077952288 /nfs/dbraw/zinc/95/22/88/1077952288.db2.gz AGNDKFGDIOGUOV-CYBMUJFWSA-N 0 0 402.451 2.719 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCCn3nnc(COCC4CC4)c3C2)c([N+](=O)[O-])c1 ZINC001170339821 1077952568 /nfs/dbraw/zinc/95/25/68/1077952568.db2.gz JUCYYQFNCOJGMN-OAHLLOKOSA-N 0 0 415.494 2.958 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340520 1077953058 /nfs/dbraw/zinc/95/30/58/1077953058.db2.gz MTFUOTXWHZJXKS-VFNWGFHPSA-N 0 0 418.494 2.622 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCn3c(COc4ccccn4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170341120 1077953180 /nfs/dbraw/zinc/95/31/80/1077953180.db2.gz NLGTYVAUGAJATI-OAHLLOKOSA-N 0 0 424.461 2.616 20 5 HFBDRN COc1ccc(C[C@@H](C)N2Cc3nccn3C[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343561 1077953825 /nfs/dbraw/zinc/95/38/25/1077953825.db2.gz QOIOXJXJEUXMTF-SJORKVTESA-N 0 0 410.478 2.760 20 5 HFBDRN COc1ccc(-c2nc(C[S@@](=O)CCn3cc([N+](=O)[O-])cn3)cs2)cc1OC ZINC000772816461 1077961733 /nfs/dbraw/zinc/96/17/33/1077961733.db2.gz HCQPOFMBACMVLO-NDEPHWFRSA-N 0 0 422.488 2.881 20 5 HFBDRN Cc1nn(CCC(=O)N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)c(C)c1[N+](=O)[O-] ZINC000790195921 1077967771 /nfs/dbraw/zinc/96/77/71/1077967771.db2.gz OONLJBYGJBFFIE-CQSZACIVSA-N 0 0 415.450 2.974 20 5 HFBDRN COC1(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000792719232 1077973856 /nfs/dbraw/zinc/97/38/56/1077973856.db2.gz CQZHCTUIMYZQBW-SNVBAGLBSA-N 0 0 420.340 2.679 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)c1F ZINC000790247947 1077975970 /nfs/dbraw/zinc/97/59/70/1077975970.db2.gz CGNQJCUMTMUQDL-OKILXGFUSA-N 0 0 402.426 2.981 20 5 HFBDRN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000792700558 1077978143 /nfs/dbraw/zinc/97/81/43/1077978143.db2.gz QOAVUQHUBAPGNY-LBPRGKRZSA-N 0 0 421.406 2.886 20 5 HFBDRN COC(=O)c1cc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c([N+](=O)[O-])c1 ZINC000792737285 1077980494 /nfs/dbraw/zinc/98/04/94/1077980494.db2.gz ZQMYCFQWXBGNNC-UHFFFAOYSA-N 0 0 402.363 2.957 20 5 HFBDRN COc1cc(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cc([N+](=O)[O-])c1C ZINC000790296960 1077988931 /nfs/dbraw/zinc/98/89/31/1077988931.db2.gz VEXVVQRYWZRWTL-LBPRGKRZSA-N 0 0 407.448 2.774 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000790265614 1077990186 /nfs/dbraw/zinc/99/01/86/1077990186.db2.gz GILXTJACTMYHMG-NSHDSACASA-N 0 0 405.842 2.957 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC([C@H](O)c2nccn2C)CC1 ZINC000790271167 1077992250 /nfs/dbraw/zinc/99/22/50/1077992250.db2.gz OOURXRHASUBQSW-INIZCTEOSA-N 0 0 408.842 2.718 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N1CCC(OC[C@H]2CCCO2)CC1 ZINC000790273059 1077992470 /nfs/dbraw/zinc/99/24/70/1077992470.db2.gz YVCDNHAXTIMJCC-LJQANCHMSA-N 0 0 405.495 2.591 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCCOc1ncccc1C(F)(F)F ZINC000746894027 1077997406 /nfs/dbraw/zinc/99/74/06/1077997406.db2.gz CGMWCGMVHCJKSI-UHFFFAOYSA-N 0 0 409.324 2.554 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c1C ZINC000790350126 1078001201 /nfs/dbraw/zinc/00/12/01/1078001201.db2.gz BTDZKXVGUBAHPB-UHFFFAOYSA-N 0 0 423.422 2.972 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1F ZINC000790333747 1078005933 /nfs/dbraw/zinc/00/59/33/1078005933.db2.gz VMJYBNZWEJHGFO-KRWDZBQOSA-N 0 0 415.421 2.881 20 5 HFBDRN COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000790334603 1078006221 /nfs/dbraw/zinc/00/62/21/1078006221.db2.gz OUZJDVYFMDHMQN-UHFFFAOYSA-N 0 0 420.393 2.875 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCOc1ncccc1C(F)(F)F ZINC000746898642 1078007610 /nfs/dbraw/zinc/00/76/10/1078007610.db2.gz LZTDDKYAWVWZKR-UHFFFAOYSA-N 0 0 403.288 2.722 20 5 HFBDRN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000790378571 1078008564 /nfs/dbraw/zinc/00/85/64/1078008564.db2.gz WKVAXSQVASRGQB-KBPBESRZSA-N 0 0 414.418 2.708 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790390574 1078013126 /nfs/dbraw/zinc/01/31/26/1078013126.db2.gz SKPNCSUQXQXTHL-LLVKDONJSA-N 0 0 409.420 2.696 20 5 HFBDRN C[C@@H](Cn1ncc2ccccc21)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000792850518 1078014298 /nfs/dbraw/zinc/01/42/98/1078014298.db2.gz HLHJIAWODLZFAV-LIRRHRJNSA-N 0 0 408.414 2.929 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)C[C@@H]1CCCCO1)CC2 ZINC000790366885 1078015282 /nfs/dbraw/zinc/01/52/82/1078015282.db2.gz GYEHNLTWKSBQOB-NSHDSACASA-N 0 0 419.297 2.614 20 5 HFBDRN Cc1ccc(OCC(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)cc1 ZINC000790411542 1078020822 /nfs/dbraw/zinc/02/08/22/1078020822.db2.gz XZNCFQYPNICLDL-UHFFFAOYSA-N 0 0 415.421 2.714 20 5 HFBDRN C[C@@H](C(=O)NCC(F)(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792916660 1078025145 /nfs/dbraw/zinc/02/51/45/1078025145.db2.gz ZOKUGTMMUHFCAG-QMMMGPOBSA-N 0 0 410.190 2.782 20 5 HFBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1 ZINC000790432008 1078028835 /nfs/dbraw/zinc/02/88/35/1078028835.db2.gz VTQGGNCFKOSESY-UHFFFAOYSA-N 0 0 411.418 2.748 20 5 HFBDRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000790434519 1078029869 /nfs/dbraw/zinc/02/98/69/1078029869.db2.gz NQNIIBFWOXCXAM-DZGCQCFKSA-N 0 0 424.450 2.741 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000790438312 1078031610 /nfs/dbraw/zinc/03/16/10/1078031610.db2.gz LTTHPTSISDCRKW-AATRIKPKSA-N 0 0 419.887 2.916 20 5 HFBDRN CN1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000790452216 1078035758 /nfs/dbraw/zinc/03/57/58/1078035758.db2.gz XAZYMPMCIJJMDS-CQSZACIVSA-N 0 0 420.329 2.756 20 5 HFBDRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCO1 ZINC000790455204 1078036645 /nfs/dbraw/zinc/03/66/45/1078036645.db2.gz QVDGROVVISEGOO-ZDUSSCGKSA-N 0 0 407.286 2.793 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000792991883 1078043017 /nfs/dbraw/zinc/04/30/17/1078043017.db2.gz GVZJWNUGEMKQDG-LJQANCHMSA-N 0 0 405.476 2.916 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000746917824 1078043433 /nfs/dbraw/zinc/04/34/33/1078043433.db2.gz GVNNDWVCMOCQRQ-HNNXBMFYSA-N 0 0 411.414 2.976 20 5 HFBDRN COc1cc(CN2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000747318143 1079569904 /nfs/dbraw/zinc/56/99/04/1079569904.db2.gz JWVKLHLQOKWTSR-UHFFFAOYSA-N 0 0 421.400 2.848 20 5 HFBDRN COc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)cc(OC)c1 ZINC000747319177 1079575641 /nfs/dbraw/zinc/57/56/41/1079575641.db2.gz NZOXPCCFJLXKAJ-UHFFFAOYSA-N 0 0 403.410 2.709 20 5 HFBDRN Cc1cccc2nc(CCNC(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4F)n3)cn21 ZINC001130595071 1079607592 /nfs/dbraw/zinc/60/75/92/1079607592.db2.gz LATRGKBMFBGTBF-UHFFFAOYSA-N 0 0 408.393 2.848 20 5 HFBDRN COc1ccc(CNC(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000806497753 1079749134 /nfs/dbraw/zinc/74/91/34/1079749134.db2.gz ROPJVRDITLUIHU-OAHLLOKOSA-N 0 0 408.455 2.802 20 5 HFBDRN Cc1ccncc1CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130722467 1079948655 /nfs/dbraw/zinc/94/86/55/1079948655.db2.gz CVVLNGBZPOMYMS-UHFFFAOYSA-N 0 0 411.199 2.875 20 5 HFBDRN O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(C(F)(F)F)cc(Br)n1 ZINC000806801257 1080018582 /nfs/dbraw/zinc/01/85/82/1080018582.db2.gz UAAXOTHAJHKCGH-UHFFFAOYSA-N 0 0 423.149 2.789 20 5 HFBDRN Cc1cccc([C@H](C)NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000806847072 1080032027 /nfs/dbraw/zinc/03/20/27/1080032027.db2.gz AKLNFIBENDAEJX-KRWDZBQOSA-N 0 0 410.474 2.738 20 5 HFBDRN CS(=O)(=O)NCCc1ccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)s1 ZINC001130755933 1080039273 /nfs/dbraw/zinc/03/92/73/1080039273.db2.gz JMXZTYACISKOPZ-UHFFFAOYSA-N 0 0 420.472 2.549 20 5 HFBDRN O=C(c1cnc(C2OCCO2)s1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000806961235 1080128475 /nfs/dbraw/zinc/12/84/75/1080128475.db2.gz NFYIWTMBIDMAFO-UHFFFAOYSA-N 0 0 405.432 2.780 20 5 HFBDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000806938131 1080147190 /nfs/dbraw/zinc/14/71/90/1080147190.db2.gz WFQRJOBMAZMCRW-UHFFFAOYSA-N 0 0 419.747 2.564 20 5 HFBDRN Cc1cc(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c(N)c([N+](=O)[O-])c1 ZINC000805273509 1080183039 /nfs/dbraw/zinc/18/30/39/1080183039.db2.gz QTDUUYJJQYVZBP-LLVKDONJSA-N 0 0 402.373 2.549 20 5 HFBDRN Cc1c(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000807084087 1080261770 /nfs/dbraw/zinc/26/17/70/1080261770.db2.gz HZDUNCYWZRBMFT-FQEVSTJZSA-N 0 0 411.458 2.804 20 5 HFBDRN CC(C)c1ccc(C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC001130912210 1080473995 /nfs/dbraw/zinc/47/39/95/1080473995.db2.gz MKSKVXUBSVUYGV-KDURUIRLSA-N 0 0 421.453 2.975 20 5 HFBDRN CCc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000807295091 1080484517 /nfs/dbraw/zinc/48/45/17/1080484517.db2.gz MWBVLVIPBFHPAR-HNNXBMFYSA-N 0 0 423.372 2.547 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000807295273 1080484688 /nfs/dbraw/zinc/48/46/88/1080484688.db2.gz MVPZCFQGRXVOBO-UHFFFAOYSA-N 0 0 410.402 2.944 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000807298113 1080491745 /nfs/dbraw/zinc/49/17/45/1080491745.db2.gz USXMHMLRZMYNNJ-UHFFFAOYSA-N 0 0 404.354 2.590 20 5 HFBDRN COC[C@]1(C(=O)OC)CCCN1C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC001130914891 1080532147 /nfs/dbraw/zinc/53/21/47/1080532147.db2.gz SIKJRQXQELCAAZ-INIZCTEOSA-N 0 0 402.856 2.521 20 5 HFBDRN Cc1ccc([C@H](O)[C@H](C)NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000807346400 1080552884 /nfs/dbraw/zinc/55/28/84/1080552884.db2.gz WGKOQZCECAEJKA-MEDUHNTESA-N 0 0 423.372 2.681 20 5 HFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)cc1SC ZINC001130929971 1080573298 /nfs/dbraw/zinc/57/32/98/1080573298.db2.gz UZPFJQZOTCBXGB-CYBMUJFWSA-N 0 0 412.464 2.508 20 5 HFBDRN Cc1cc(Br)c(NC(=O)C(=O)NCCSC(C)C)cc1[N+](=O)[O-] ZINC000807443948 1080664027 /nfs/dbraw/zinc/66/40/27/1080664027.db2.gz CKIYMTUZLCTJNH-UHFFFAOYSA-N 0 0 404.286 2.862 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](CCO)c1ccc(Cl)cc1 ZINC000807514628 1080667458 /nfs/dbraw/zinc/66/74/58/1080667458.db2.gz LIASZEXOQBGVDI-AWEZNQCLSA-N 0 0 409.801 2.874 20 5 HFBDRN COc1ccc(N2C[C@H](NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)CC2=O)cc1 ZINC001130989001 1080782801 /nfs/dbraw/zinc/78/28/01/1080782801.db2.gz MIZVQAVNIFSBNI-CQSZACIVSA-N 0 0 408.414 2.549 20 5 HFBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426810698 1126092014 /nfs/dbraw/zinc/09/20/14/1126092014.db2.gz QCVYFOPUNLVOEQ-HNNXBMFYSA-N 0 0 419.800 2.754 20 5 HFBDRN O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC001320873201 1126170895 /nfs/dbraw/zinc/17/08/95/1126170895.db2.gz ZDXIAZFGTGTAHT-LJQANCHMSA-N 0 0 409.446 2.857 20 5 HFBDRN O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164782801 721400900 /nfs/dbraw/zinc/40/09/00/721400900.db2.gz FSJYWABHEHZTRN-DTORHVGOSA-N 0 0 401.279 2.716 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164795693 721528176 /nfs/dbraw/zinc/52/81/76/721528176.db2.gz RRJOTORFFUPORF-JZXOWHBKSA-N 0 0 403.870 2.906 20 5 HFBDRN COc1cc(OC)nc(CN2CCN(c3ccc4ccc5cccnc5c4n3)CC2)n1 ZINC001165030580 721846646 /nfs/dbraw/zinc/84/66/46/721846646.db2.gz QEICHYSROXUCBS-UHFFFAOYSA-N 0 0 416.485 2.912 20 5 HFBDRN Cn1ccc(CN2CCOCC23CCN(c2ccc4cccc([N+](=O)[O-])c4n2)CC3)n1 ZINC001164933803 721904857 /nfs/dbraw/zinc/90/48/57/721904857.db2.gz RDGUWTSTVHZZOC-UHFFFAOYSA-N 0 0 422.489 2.748 20 5 HFBDRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3O2)n1 ZINC001164965560 722040861 /nfs/dbraw/zinc/04/08/61/722040861.db2.gz ZIOQXIPFDJLFDO-JFGNBEQYSA-N 0 0 415.784 2.716 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(C)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987066 722178221 /nfs/dbraw/zinc/17/82/21/722178221.db2.gz MEWQUUYZUPREOP-DLBZAZTESA-N 0 0 403.508 2.933 20 5 HFBDRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)[C@H]2C1 ZINC001164998107 722214612 /nfs/dbraw/zinc/21/46/12/722214612.db2.gz UAXMADZKCZQEBL-LEWSCRJBSA-N 0 0 418.828 2.697 20 5 HFBDRN Cc1c(C)c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ncc1[N+](=O)[O-] ZINC001165005879 722265410 /nfs/dbraw/zinc/26/54/10/722265410.db2.gz FKIIZDZHTKIFLP-NRFANRHFSA-N 0 0 413.453 2.673 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC000790494769 1078043538 /nfs/dbraw/zinc/04/35/38/1078043538.db2.gz MGRGLWBKWZZRLB-UHFFFAOYSA-N 0 0 412.849 2.680 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000746919453 1078049143 /nfs/dbraw/zinc/04/91/43/1078049143.db2.gz ADGVFAWWVRAKNE-OAHLLOKOSA-N 0 0 411.414 2.976 20 5 HFBDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cn2)CCO1 ZINC000790537243 1078053229 /nfs/dbraw/zinc/05/32/29/1078053229.db2.gz BICWKOCOKNJWIV-GFCCVEGCSA-N 0 0 422.844 2.866 20 5 HFBDRN C[C@@H]1OCC[C@]12CN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000793068987 1078062128 /nfs/dbraw/zinc/06/21/28/1078062128.db2.gz QCFHTWQSUFPPQX-YPENRWOSSA-N 0 0 419.478 2.626 20 5 HFBDRN Cn1nccc1[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793070309 1078062395 /nfs/dbraw/zinc/06/23/95/1078062395.db2.gz CTVYPSMMVINRQU-AWEZNQCLSA-N 0 0 413.478 2.971 20 5 HFBDRN 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ZINC000790723756 1078115682 /nfs/dbraw/zinc/11/56/82/1078115682.db2.gz KQWKTVRDNVAASI-UHFFFAOYSA-N 0 0 421.816 2.850 20 5 HFBDRN O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793277048 1078116742 /nfs/dbraw/zinc/11/67/42/1078116742.db2.gz GJAZDUMKTJHDTG-FUHWJXTLSA-N 0 0 416.455 2.678 20 5 HFBDRN Cc1cccc(OCCNC(=O)COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790739913 1078120924 /nfs/dbraw/zinc/12/09/24/1078120924.db2.gz HWIFITFJUXLTGQ-UHFFFAOYSA-N 0 0 424.812 2.977 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1ccc(F)cc1 ZINC000790746355 1078123278 /nfs/dbraw/zinc/12/32/78/1078123278.db2.gz RBIGYTXECLDBQR-UHFFFAOYSA-N 0 0 412.776 2.971 20 5 HFBDRN COc1cc(OC)cc([C@@H](O)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790745897 1078123601 /nfs/dbraw/zinc/12/36/01/1078123601.db2.gz MIIRKXNKPVVXPO-KRWDZBQOSA-N 0 0 412.801 2.797 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC1(S(C)(=O)=O)CCC1 ZINC000793328527 1078138722 /nfs/dbraw/zinc/13/87/22/1078138722.db2.gz JKLSDPHEPHCSRJ-UHFFFAOYSA-N 0 0 406.254 2.790 20 5 HFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H](C)[S@](=O)[C@@H](C)C2)cc1Br ZINC000790801097 1078139345 /nfs/dbraw/zinc/13/93/45/1078139345.db2.gz VXWAEDYQNDKOOE-RHYLPTBASA-N 0 0 419.297 2.880 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790816667 1078153663 /nfs/dbraw/zinc/15/36/63/1078153663.db2.gz YKGJCCCSSFKAKT-UHFFFAOYSA-N 0 0 410.360 2.674 20 5 HFBDRN Cc1nc(C)c(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790844036 1078145440 /nfs/dbraw/zinc/14/54/40/1078145440.db2.gz QWDWLHCHHZJQSK-UHFFFAOYSA-N 0 0 414.465 2.714 20 5 HFBDRN CO[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000790852535 1078149549 /nfs/dbraw/zinc/14/95/49/1078149549.db2.gz YBTCPJTXYARDCJ-OAHLLOKOSA-N 0 0 409.420 2.786 20 5 HFBDRN CCO[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1(C)C ZINC000790851971 1078149740 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CCN(C)c1ccccc1CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000804828469 1078667719 /nfs/dbraw/zinc/66/77/19/1078667719.db2.gz QPBHRIYWCIWWCC-UHFFFAOYSA-N 0 0 410.474 2.858 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000804622014 1078671641 /nfs/dbraw/zinc/67/16/41/1078671641.db2.gz OKUGMLMSHUDZKZ-UHFFFAOYSA-N 0 0 410.383 2.794 20 5 HFBDRN CC(=O)c1cc(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000804833852 1078675962 /nfs/dbraw/zinc/67/59/62/1078675962.db2.gz NNAUPYWLKQQPAX-KRWDZBQOSA-N 0 0 418.494 2.929 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3ccnc(Cl)c3F)cc2[N+](=O)[O-])CC1 ZINC001129739773 1078687406 /nfs/dbraw/zinc/68/74/06/1078687406.db2.gz LWVQUNJMFDDTHV-UHFFFAOYSA-N 0 0 421.816 2.703 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 ZINC000747203771 1078699900 /nfs/dbraw/zinc/69/99/00/1078699900.db2.gz FWPFDCFVOVVHRR-UHFFFAOYSA-N 0 0 415.446 2.721 20 5 HFBDRN CS(=O)(=O)CC1(CNC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC001129760682 1078704463 /nfs/dbraw/zinc/70/44/63/1078704463.db2.gz HBNNAGKFOIICPL-UHFFFAOYSA-N 0 0 409.489 2.663 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747220851 1078708051 /nfs/dbraw/zinc/70/80/51/1078708051.db2.gz JFNAWLBJRQZJSD-INIZCTEOSA-N 0 0 424.335 2.693 20 5 HFBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000804639815 1078728000 /nfs/dbraw/zinc/72/80/00/1078728000.db2.gz YTUNVJJQOJNJGC-UBUVMBRLSA-N 0 0 403.435 2.504 20 5 HFBDRN O=C(Nc1cnc(C(F)(F)F)nc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001129998728 1078738414 /nfs/dbraw/zinc/73/84/14/1078738414.db2.gz SBFSYEWQGQIPAB-SECBINFHSA-N 0 0 415.353 2.708 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804931720 1078787604 /nfs/dbraw/zinc/78/76/04/1078787604.db2.gz ZQNUQUYKJROFKM-KDOFPFPSSA-N 0 0 418.450 2.604 20 5 HFBDRN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1I)CC(C)C ZINC001130003710 1078781113 /nfs/dbraw/zinc/78/11/13/1078781113.db2.gz KEYCAGBIAIGVIJ-LLVKDONJSA-N 0 0 406.220 2.990 20 5 HFBDRN COc1cc(C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)c([N+](=O)[O-])cc1OC ZINC001130037545 1078819977 /nfs/dbraw/zinc/81/99/77/1078819977.db2.gz XPFQAUZWSBAEMP-LBPRGKRZSA-N 0 0 414.418 2.633 20 5 HFBDRN Cc1nc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)c(Br)n1C ZINC000805019934 1078830443 /nfs/dbraw/zinc/83/04/43/1078830443.db2.gz LVNQZEGRSFPRJE-UHFFFAOYSA-N 0 0 410.633 2.820 20 5 HFBDRN COC[C@@]1(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CCCN1C(=O)OC(C)(C)C ZINC000805010430 1078855051 /nfs/dbraw/zinc/85/50/51/1078855051.db2.gz FGEDRDFRZLOLAS-FQEVSTJZSA-N 0 0 422.482 2.810 20 5 HFBDRN Cc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000805047977 1078861795 /nfs/dbraw/zinc/86/17/95/1078861795.db2.gz GWFPSXPIIBGOBF-UHFFFAOYSA-N 0 0 407.372 2.667 20 5 HFBDRN COC(=O)c1ccsc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 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/nfs/dbraw/zinc/90/05/91/1078900591.db2.gz CSKYWHMWLWTEBE-OAHLLOKOSA-N 0 0 413.496 2.891 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000805118093 1078901596 /nfs/dbraw/zinc/90/15/96/1078901596.db2.gz YYSTUIRMICNIBG-ZDUSSCGKSA-N 0 0 417.459 2.722 20 5 HFBDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121729 1078905323 /nfs/dbraw/zinc/90/53/23/1078905323.db2.gz SPGWVKFOQIIMAI-HNNXBMFYSA-N 0 0 404.366 2.767 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000805146925 1078944705 /nfs/dbraw/zinc/94/47/05/1078944705.db2.gz FFOMXBDEQGFCBR-UHFFFAOYSA-N 0 0 407.395 2.972 20 5 HFBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](c3cccnc3)C2)cc1OC ZINC001130100401 1078951112 /nfs/dbraw/zinc/95/11/12/1078951112.db2.gz GLRLPDICHOXDGV-OAHLLOKOSA-N 0 0 401.419 2.653 20 5 HFBDRN COc1cc(C)c(Br)cc1S(=O)(=O)Oc1cccnc1[N+](=O)[O-] ZINC000747233458 1078965268 /nfs/dbraw/zinc/96/52/68/1078965268.db2.gz JCNQIJWHHGAGSM-UHFFFAOYSA-N 0 0 403.210 2.837 20 5 HFBDRN CC(C)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)C(=O)N1CCOCC1 ZINC001130121000 1078990535 /nfs/dbraw/zinc/99/05/35/1078990535.db2.gz VFOBXMBMGSSWQK-HNNXBMFYSA-N 0 0 417.384 2.617 20 5 HFBDRN CC(C)C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC001130121275 1078990922 /nfs/dbraw/zinc/99/09/22/1078990922.db2.gz YLSSWUPNQRDTQL-AWEZNQCLSA-N 0 0 417.384 2.617 20 5 HFBDRN CNC(=O)[C@@H](CNC(=O)c1c(C)ccc([N+](=O)[O-])c1C)Cc1ccc(F)cc1C ZINC001130134813 1079001471 /nfs/dbraw/zinc/00/14/71/1079001471.db2.gz IAQYSXILWXKGEY-MRXNPFEDSA-N 0 0 401.438 2.994 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000805282133 1079007405 /nfs/dbraw/zinc/00/74/05/1079007405.db2.gz KGSHAMUYJFVDRN-QGZVFWFLSA-N 0 0 415.450 2.864 20 5 HFBDRN COc1cc(C(=O)N2CCc3cc(Cl)nnc3C2)c([N+](=O)[O-])cc1OC(F)F ZINC001130159194 1079026836 /nfs/dbraw/zinc/02/68/36/1079026836.db2.gz ZFJLCQZGIDGVBD-UHFFFAOYSA-N 0 0 414.752 2.847 20 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COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(OC)c(F)c1N ZINC000805597444 1079171283 /nfs/dbraw/zinc/17/12/83/1079171283.db2.gz PAZNDDTXYRWFQR-VIFPVBQESA-N 0 0 407.354 2.517 20 5 HFBDRN C[C@@H](OC(=O)c1ccnc2c1ncn2C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000805673513 1079197850 /nfs/dbraw/zinc/19/78/50/1079197850.db2.gz BNSFFPVJFHWBNM-SECBINFHSA-N 0 0 403.782 2.714 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000805653598 1079204115 /nfs/dbraw/zinc/20/41/15/1079204115.db2.gz BFYUKVIZTXRQLO-SECBINFHSA-N 0 0 401.331 2.634 20 5 HFBDRN Cc1ccc(-n2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])n2)cc1 ZINC001130332067 1079221660 /nfs/dbraw/zinc/22/16/60/1079221660.db2.gz WGXMCUHCYPVBFV-UHFFFAOYSA-N 0 0 400.416 2.745 20 5 HFBDRN CNC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)Cc1ccc(F)cc1C ZINC001130339460 1079226172 /nfs/dbraw/zinc/22/61/72/1079226172.db2.gz JEEVOMKWXQILLV-HNNXBMFYSA-N 0 0 424.432 2.925 20 5 HFBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)OCc2ccnn2C)cc1[N+](=O)[O-] ZINC000747269168 1079271402 /nfs/dbraw/zinc/27/14/02/1079271402.db2.gz AXLYGXKHRPRSSY-UHFFFAOYSA-N 0 0 408.414 2.982 20 5 HFBDRN O=C(NCc1ccc(-c2nncnn2)cc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC001130417299 1079335752 /nfs/dbraw/zinc/33/57/52/1079335752.db2.gz LWCVTIQECMZFJQ-UHFFFAOYSA-N 0 0 415.207 2.534 20 5 HFBDRN O=C(COCc1cccnc1)Oc1cc([N+](=O)[O-])ccc1I ZINC000805924085 1079356853 /nfs/dbraw/zinc/35/68/53/1079356853.db2.gz DFLKRGOTADNCHA-UHFFFAOYSA-N 0 0 414.155 2.717 20 5 HFBDRN C[C@@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccncc1 ZINC000805982315 1079364400 /nfs/dbraw/zinc/36/44/00/1079364400.db2.gz UENLURNGOFOHBD-KGLIPLIRSA-N 0 0 403.460 2.761 20 5 HFBDRN Cc1cc(Cl)c(OC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1F ZINC000806015936 1079388449 /nfs/dbraw/zinc/38/84/49/1079388449.db2.gz ZXKXZCADQFPDOU-UHFFFAOYSA-N 0 0 416.814 2.922 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000747290871 1079389324 /nfs/dbraw/zinc/38/93/24/1079389324.db2.gz PBGSHJNBFQTASV-UHFFFAOYSA-N 0 0 419.475 2.905 20 5 HFBDRN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)C(=O)OCc1ccccc1 ZINC001130507598 1079426994 /nfs/dbraw/zinc/42/69/94/1079426994.db2.gz IURSDOVKMGBBFE-CYBMUJFWSA-N 0 0 412.377 2.781 20 5 HFBDRN O=C(OCCc1nnc(-c2ccccc2)o1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000806109647 1079439629 /nfs/dbraw/zinc/43/96/29/1079439629.db2.gz OESMEUJEMQGEOW-UHFFFAOYSA-N 0 0 406.358 2.625 20 5 HFBDRN CC(C)c1ccc(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000806120392 1079449428 /nfs/dbraw/zinc/44/94/28/1079449428.db2.gz WUBQPZVPDZMAFK-ZDUSSCGKSA-N 0 0 412.386 2.697 20 5 HFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000787351834 1076792065 /nfs/dbraw/zinc/79/20/65/1076792065.db2.gz HYPWBERLMVUQQC-PWZJLYFZSA-N 0 0 415.215 2.910 20 5 HFBDRN CC(C)(C)OC(=O)Nc1cnc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000787506601 1076829228 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2.933 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCCc1ccc(O)c(F)c1 ZINC000787842700 1076961228 /nfs/dbraw/zinc/96/12/28/1076961228.db2.gz AFPSLUMKUUZIFW-UHFFFAOYSA-N 0 0 406.366 2.953 20 5 HFBDRN O=[N+]([O-])c1cc(Br)cnc1N1CCn2c(Br)cnc2C1 ZINC000787885206 1076977581 /nfs/dbraw/zinc/97/75/81/1076977581.db2.gz TXUYPNLHALOOQB-UHFFFAOYSA-N 0 0 403.034 2.732 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(Cc2ccccc2C)CC1 ZINC000746715210 1077002027 /nfs/dbraw/zinc/00/20/27/1077002027.db2.gz IEYKEOGFNRSIIN-UHFFFAOYSA-N 0 0 414.418 2.920 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2cccc(OC)c2)CC1 ZINC000746715395 1077003065 /nfs/dbraw/zinc/00/30/65/1077003065.db2.gz PXPIZRMEDHCGDP-UHFFFAOYSA-N 0 0 416.390 2.625 20 5 HFBDRN CC[S@@](=O)CC(=O)O[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000787948100 1077005964 /nfs/dbraw/zinc/00/59/64/1077005964.db2.gz KNQYIRRYHJYAIJ-XDBZFTIUSA-N 0 0 404.444 2.895 20 5 HFBDRN O=C(COC(=O)c1nn(-c2ccc(F)cc2)cc1O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000787956706 1077008087 /nfs/dbraw/zinc/00/80/87/1077008087.db2.gz WCCSWPOTYNTTOG-UHFFFAOYSA-N 0 0 418.312 2.560 20 5 HFBDRN CCNC(=O)c1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000787938549 1077016876 /nfs/dbraw/zinc/01/68/76/1077016876.db2.gz BSWAKHSCDJWDKN-UHFFFAOYSA-N 0 0 403.366 2.588 20 5 HFBDRN COc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(OC)c1OC ZINC000787940004 1077017770 /nfs/dbraw/zinc/01/77/70/1077017770.db2.gz RPNTZRKAYSTJHV-UHFFFAOYSA-N 0 0 422.365 2.864 20 5 HFBDRN Cc1c(NC(=O)CCN2CCn3c(Br)cnc3C2)cccc1[N+](=O)[O-] ZINC000787998232 1077023510 /nfs/dbraw/zinc/02/35/10/1077023510.db2.gz YMHRAXSQYUTWKS-UHFFFAOYSA-N 0 0 408.256 2.707 20 5 HFBDRN COC(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000788034951 1077035605 /nfs/dbraw/zinc/03/56/05/1077035605.db2.gz WQENVFCOLMMYJU-NSHDSACASA-N 0 0 413.477 2.594 20 5 HFBDRN Cn1cc(C(=O)O[C@@H]2CCCN(Cc3ncccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000788064407 1077047694 /nfs/dbraw/zinc/04/76/94/1077047694.db2.gz CVVHDTOEZUBZQB-QGZVFWFLSA-N 0 0 422.445 2.607 20 5 HFBDRN Nn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nnc1C1CCOCC1 ZINC000788105469 1077049494 /nfs/dbraw/zinc/04/94/94/1077049494.db2.gz PCZIDMJGIFKCAA-UHFFFAOYSA-N 0 0 414.285 2.849 20 5 HFBDRN Cc1c(CC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1[N+](=O)[O-] ZINC000788088154 1077055351 /nfs/dbraw/zinc/05/53/51/1077055351.db2.gz VLVWSYSSTWBREU-UHFFFAOYSA-N 0 0 421.793 2.981 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CC1CCC2(CC1)OCCO2 ZINC000788173646 1077074977 /nfs/dbraw/zinc/07/49/77/1077074977.db2.gz KWWKHHJSDRQUEP-ZDUSSCGKSA-N 0 0 422.434 2.797 20 5 HFBDRN Cc1nn(C)c(Cl)c1CN(C)C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000788234354 1077089664 /nfs/dbraw/zinc/08/96/64/1077089664.db2.gz XZNPIUGDIQVVHJ-UHFFFAOYSA-N 0 0 421.841 2.637 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1F ZINC000788288420 1077098852 /nfs/dbraw/zinc/09/88/52/1077098852.db2.gz QWEWHZODLCODJF-UHFFFAOYSA-N 0 0 415.421 2.672 20 5 HFBDRN C[C@@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746744207 1077120730 /nfs/dbraw/zinc/12/07/30/1077120730.db2.gz HJYMUIONNUAUKU-ZUOKHONESA-N 0 0 423.425 2.675 20 5 HFBDRN Cn1nccc1[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccccc1 ZINC000788390111 1077139949 /nfs/dbraw/zinc/13/99/49/1077139949.db2.gz WZBORGNBJJOLKQ-IBGZPJMESA-N 0 0 404.386 2.855 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1F ZINC000788475733 1077172199 /nfs/dbraw/zinc/17/21/99/1077172199.db2.gz VCHZHNNFWUROGJ-UHFFFAOYSA-N 0 0 419.887 2.955 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)ccc1[N+](=O)[O-] ZINC000790925631 1077233778 /nfs/dbraw/zinc/23/37/78/1077233778.db2.gz VYWUYHHKCZNKEN-UHFFFAOYSA-N 0 0 413.379 2.995 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000790926085 1077235055 /nfs/dbraw/zinc/23/50/55/1077235055.db2.gz XGTQQZFGVMUBPM-UHFFFAOYSA-N 0 0 406.416 2.653 20 5 HFBDRN Cc1cc(S(=O)(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)cc([N+](=O)[O-])c1F ZINC000790931693 1077238007 /nfs/dbraw/zinc/23/80/07/1077238007.db2.gz NJNITXRJMWHMLD-AUUYWEPGSA-N 0 0 410.467 2.950 20 5 HFBDRN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790932537 1077238316 /nfs/dbraw/zinc/23/83/16/1077238316.db2.gz ZWMHEMFCQKGSFZ-SFHVURJKSA-N 0 0 405.813 2.938 20 5 HFBDRN O=C(NCc1ccn(Cc2ccccc2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000790938039 1077238335 /nfs/dbraw/zinc/23/83/35/1077238335.db2.gz ZMZQDEKRCIDRIM-UHFFFAOYSA-N 0 0 420.473 2.871 20 5 HFBDRN CCCN(C)C(=O)[C@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790908267 1077244759 /nfs/dbraw/zinc/24/47/59/1077244759.db2.gz MYVRHHBAYQSVKH-CQSZACIVSA-N 0 0 403.863 2.700 20 5 HFBDRN COC(=O)COc1ccc(/C=C2/N=C(c3ccc(F)cc3F)OC2=O)cc1[N+](=O)[O-] ZINC000788674496 1077245618 /nfs/dbraw/zinc/24/56/18/1077245618.db2.gz KJVABYWBRAYQNA-MKMNVTDBSA-N 0 0 418.308 2.769 20 5 HFBDRN C[C@](O)(CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000790910194 1077245641 /nfs/dbraw/zinc/24/56/41/1077245641.db2.gz ZJONZGOGXQVEJI-HNNXBMFYSA-N 0 0 421.313 2.967 20 5 HFBDRN Cc1c(CNC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)cccc1[N+](=O)[O-] ZINC000791016498 1077272374 /nfs/dbraw/zinc/27/23/74/1077272374.db2.gz QIRBPVDPXACMRI-OAQYLSRUSA-N 0 0 413.430 2.605 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000791019132 1077273888 /nfs/dbraw/zinc/27/38/88/1077273888.db2.gz QFKFXQOJVDBIOK-GWCFXTLKSA-N 0 0 411.354 2.513 20 5 HFBDRN C[C@@H](Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788731396 1077274201 /nfs/dbraw/zinc/27/42/01/1077274201.db2.gz BDHQSBFYNKESAL-GFCCVEGCSA-N 0 0 401.448 2.939 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)OCc2ncc(C(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000791028673 1077275157 /nfs/dbraw/zinc/27/51/57/1077275157.db2.gz ZEGCATKXRLUAKE-UHFFFAOYSA-N 0 0 410.351 2.831 20 5 HFBDRN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791035123 1077278096 /nfs/dbraw/zinc/27/80/96/1077278096.db2.gz JZHKLUDCLJQLAY-UHFFFAOYSA-N 0 0 408.374 2.884 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCCCCCO)cc1 ZINC000791063629 1077286820 /nfs/dbraw/zinc/28/68/20/1077286820.db2.gz WZWIWLRRYKDMJJ-UHFFFAOYSA-N 0 0 422.459 2.563 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788745077 1077287662 /nfs/dbraw/zinc/28/76/62/1077287662.db2.gz DHBOIYDLYGMKJX-GOSISDBHSA-N 0 0 412.446 2.546 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000791080287 1077292322 /nfs/dbraw/zinc/29/23/22/1077292322.db2.gz RHHWFTOQNXOYSW-UHFFFAOYSA-N 0 0 415.400 2.962 20 5 HFBDRN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746981445 1077305933 /nfs/dbraw/zinc/30/59/33/1077305933.db2.gz FMIBIEXGXXOIBU-QGZVFWFLSA-N 0 0 403.345 2.695 20 5 HFBDRN C[C@H](NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000791232683 1077338635 /nfs/dbraw/zinc/33/86/35/1077338635.db2.gz ZEAFZXZGEPHMAO-QMMMGPOBSA-N 0 0 416.385 2.905 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1[N+](=O)[O-] ZINC000791210320 1077345605 /nfs/dbraw/zinc/34/56/05/1077345605.db2.gz WLPFEBPKWYGVGN-UHFFFAOYSA-N 0 0 417.397 2.671 20 5 HFBDRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746990625 1077347615 /nfs/dbraw/zinc/34/76/15/1077347615.db2.gz SZJGSRXXLBRGMW-UHFFFAOYSA-N 0 0 408.407 2.939 20 5 HFBDRN COC(=O)[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccsc1 ZINC000788908276 1077349081 /nfs/dbraw/zinc/34/90/81/1077349081.db2.gz JBBRQTXQFFJHBH-MEDUHNTESA-N 0 0 422.390 2.606 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000791267108 1077353335 /nfs/dbraw/zinc/35/33/35/1077353335.db2.gz KPSKUNZHCNXRAB-LBPRGKRZSA-N 0 0 418.431 2.517 20 5 HFBDRN COc1ccc(CSCC(=O)OCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000788916349 1077353357 /nfs/dbraw/zinc/35/33/57/1077353357.db2.gz PNTPNTQKVNNPPN-UHFFFAOYSA-N 0 0 406.464 2.898 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)C2=O)c(C)c1 ZINC000788951187 1077359702 /nfs/dbraw/zinc/35/97/02/1077359702.db2.gz YEOVRWLBZLRYRA-KRWDZBQOSA-N 0 0 417.487 2.912 20 5 HFBDRN COC(=O)COc1ccc(CNc2ccc(CN3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000788960379 1077363759 /nfs/dbraw/zinc/36/37/59/1077363759.db2.gz IAPVODWDFULSKJ-UHFFFAOYSA-N 0 0 415.402 2.711 20 5 HFBDRN COC(=O)COc1ccc(CNc2cccc(CN3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000788961126 1077363895 /nfs/dbraw/zinc/36/38/95/1077363895.db2.gz QCKDINMYYFSRIY-UHFFFAOYSA-N 0 0 415.402 2.711 20 5 HFBDRN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000791302482 1077364300 /nfs/dbraw/zinc/36/43/00/1077364300.db2.gz XTJBBVUOVDOCFZ-MRXNPFEDSA-N 0 0 415.450 2.763 20 5 HFBDRN COC(=O)COc1ccc(CNc2ccc(N3CCOC3=O)cc2)cc1[N+](=O)[O-] ZINC000788962460 1077364493 /nfs/dbraw/zinc/36/44/93/1077364493.db2.gz CNWSUNVXOOURAG-UHFFFAOYSA-N 0 0 401.375 2.715 20 5 HFBDRN COC(=O)[C@@H](OC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccsc1 ZINC000788969536 1077366172 /nfs/dbraw/zinc/36/61/72/1077366172.db2.gz XUNIQYPRCQGAQO-NSHDSACASA-N 0 0 401.194 2.885 20 5 HFBDRN Cc1c(Br)cc(C(=O)OCC(=O)OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000788972312 1077366927 /nfs/dbraw/zinc/36/69/27/1077366927.db2.gz YNQVFPHXTLYMCP-UHFFFAOYSA-N 0 0 400.103 2.928 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 ZINC000791308931 1077367644 /nfs/dbraw/zinc/36/76/44/1077367644.db2.gz CKFGWVGSYOPDOI-ZDUSSCGKSA-N 0 0 417.397 2.869 20 5 HFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCCN(Cc2ccccc2)S(C)(=O)=O)c1 ZINC000791283111 1077369625 /nfs/dbraw/zinc/36/96/25/1077369625.db2.gz DICQHWURLJZBCO-UHFFFAOYSA-N 0 0 424.500 2.935 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)Cc1ccccc1 ZINC000791340411 1077379642 /nfs/dbraw/zinc/37/96/42/1077379642.db2.gz PJAMXNBINKBSCE-UHFFFAOYSA-N 0 0 417.443 2.695 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000791342089 1077379879 /nfs/dbraw/zinc/37/98/79/1077379879.db2.gz WOCRLRVPBRFPLW-UHFFFAOYSA-N 0 0 409.377 2.893 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000791347776 1077381651 /nfs/dbraw/zinc/38/16/51/1077381651.db2.gz OFHSHCBFJKYCHU-GOSISDBHSA-N 0 0 422.844 2.773 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000791347777 1077381698 /nfs/dbraw/zinc/38/16/98/1077381698.db2.gz OFHSHCBFJKYCHU-SFHVURJKSA-N 0 0 422.844 2.773 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000791386951 1077388329 /nfs/dbraw/zinc/38/83/29/1077388329.db2.gz UTBFZUHZFHGMCJ-GFCCVEGCSA-N 0 0 421.450 2.975 20 5 HFBDRN COC(=O)c1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)c1 ZINC000791385968 1077389529 /nfs/dbraw/zinc/38/95/29/1077389529.db2.gz BSZCXICTGPTOOD-UHFFFAOYSA-N 0 0 416.409 2.819 20 5 HFBDRN Cc1cc(F)cc(-n2cc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nn2)c1 ZINC000789045760 1077393629 /nfs/dbraw/zinc/39/36/29/1077393629.db2.gz BTUFIHJRPCOIGM-LBPRGKRZSA-N 0 0 413.365 2.807 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000791362197 1077393972 /nfs/dbraw/zinc/39/39/72/1077393972.db2.gz WVIQWPLZMOXQGJ-INIZCTEOSA-N 0 0 418.400 2.817 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1[N+](=O)[O-] ZINC000791389455 1077396696 /nfs/dbraw/zinc/39/66/96/1077396696.db2.gz OLENWRXPEWKLEM-AWEZNQCLSA-N 0 0 422.363 2.613 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)N2CCN(Cc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000747010158 1077399198 /nfs/dbraw/zinc/39/91/98/1077399198.db2.gz FSLOWNPUKHWRHP-UHFFFAOYSA-N 0 0 417.487 2.720 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000747010642 1077399619 /nfs/dbraw/zinc/39/96/19/1077399619.db2.gz KYNPWDJCIHAFEY-UHFFFAOYSA-N 0 0 402.403 2.648 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000747010596 1077400001 /nfs/dbraw/zinc/40/00/01/1077400001.db2.gz JIFQYLNDNAUUFS-UHFFFAOYSA-N 0 0 411.458 2.658 20 5 HFBDRN C[C@H](O)[C@@](C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000791414123 1077403045 /nfs/dbraw/zinc/40/30/45/1077403045.db2.gz BSKHPSQSMOGAGH-HXPMCKFVSA-N 0 0 400.460 2.959 20 5 HFBDRN CN(c1ccccc1C(N)=O)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791431777 1077405769 /nfs/dbraw/zinc/40/57/69/1077405769.db2.gz LYWRQGQSHCPXRC-UHFFFAOYSA-N 0 0 404.231 2.826 20 5 HFBDRN O=C(COc1ccc2ccc(=O)oc2c1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791450068 1077410835 /nfs/dbraw/zinc/41/08/35/1077410835.db2.gz RWWHQQZQKRGBBZ-UHFFFAOYSA-N 0 0 400.299 2.732 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OC[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000791456196 1077413074 /nfs/dbraw/zinc/41/30/74/1077413074.db2.gz RECHZMNUYROMLQ-OAHLLOKOSA-N 0 0 410.492 2.813 20 5 HFBDRN CCOC(=O)CCC(=O)COC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000791426095 1077416178 /nfs/dbraw/zinc/41/61/78/1077416178.db2.gz ODALSPXTDCYVGC-UHFFFAOYSA-N 0 0 402.197 2.735 20 5 HFBDRN O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791480434 1077421400 /nfs/dbraw/zinc/42/14/00/1077421400.db2.gz ANKAJIBCZSFBTK-UHFFFAOYSA-N 0 0 413.342 2.623 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000789119651 1077422720 /nfs/dbraw/zinc/42/27/20/1077422720.db2.gz YGPWEMOKSYGPBF-QGZVFWFLSA-N 0 0 407.444 2.865 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1Br ZINC000789139785 1077429662 /nfs/dbraw/zinc/42/96/62/1077429662.db2.gz INKFHRKLACQUPL-GFCCVEGCSA-N 0 0 423.223 2.605 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1Br ZINC000789140432 1077430582 /nfs/dbraw/zinc/43/05/82/1077430582.db2.gz NRFDZBBDBNSEDR-UHFFFAOYSA-N 0 0 411.212 2.747 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000791492419 1077432035 /nfs/dbraw/zinc/43/20/35/1077432035.db2.gz AKWPIEWYPWWNHI-GFCCVEGCSA-N 0 0 418.450 2.575 20 5 HFBDRN CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000791466003 1077438580 /nfs/dbraw/zinc/43/85/80/1077438580.db2.gz WKONWRNFJNOJPV-WTKPLQERSA-N 0 0 421.387 2.631 20 5 HFBDRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791518665 1077453245 /nfs/dbraw/zinc/45/32/45/1077453245.db2.gz BEVNMCNFAFBKGO-RQZCQDPDSA-N 0 0 410.346 2.539 20 5 HFBDRN COc1ccc([C@@H](CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(C)=O)cc1 ZINC000791539226 1077458141 /nfs/dbraw/zinc/45/81/41/1077458141.db2.gz XVUYCTZVXMWTLN-QGZVFWFLSA-N 0 0 417.374 2.822 20 5 HFBDRN C[C@@H](OC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000789284120 1077496018 /nfs/dbraw/zinc/49/60/18/1077496018.db2.gz HHLXSCMVFAPMIU-IUODEOHRSA-N 0 0 419.434 2.722 20 5 HFBDRN CCOc1nc(C)ccc1C(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000791647034 1077510096 /nfs/dbraw/zinc/51/00/96/1077510096.db2.gz CTYOKZTXXQBSTH-UHFFFAOYSA-N 0 0 401.375 2.852 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(C(=S)NC[C@H]1CCCO1)CC2 ZINC000789350604 1077512478 /nfs/dbraw/zinc/51/24/78/1077512478.db2.gz YJXNVLOCJBSYTJ-SNVBAGLBSA-N 0 0 400.298 2.769 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)c2ccc(C)nc2OCC)c([N+](=O)[O-])c1 ZINC000791652857 1077512981 /nfs/dbraw/zinc/51/29/81/1077512981.db2.gz BRIFLCHSRHJTLU-UHFFFAOYSA-N 0 0 403.391 2.891 20 5 HFBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC[C@H]1CCCS(=O)(=O)C1 ZINC000791631044 1077519841 /nfs/dbraw/zinc/51/98/41/1077519841.db2.gz XOPSWUROQYNNQE-LLVKDONJSA-N 0 0 424.397 2.784 20 5 HFBDRN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=S)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000789339852 1077527601 /nfs/dbraw/zinc/52/76/01/1077527601.db2.gz ODOPRKFSJLPYQX-UHFFFAOYSA-N 0 0 420.516 2.600 20 5 HFBDRN COc1cc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2)cc([N+](=O)[O-])c1C ZINC000791689697 1077529735 /nfs/dbraw/zinc/52/97/35/1077529735.db2.gz WVVJZOYCYGRWSF-GFCCVEGCSA-N 0 0 407.423 2.616 20 5 HFBDRN COc1cc(C(=O)O[C@H](C)C(=O)NC(=O)Nc2ccccc2)cc([N+](=O)[O-])c1C ZINC000791692922 1077530438 /nfs/dbraw/zinc/53/04/38/1077530438.db2.gz QMIIGAMIIBOAMO-GFCCVEGCSA-N 0 0 401.375 2.805 20 5 HFBDRN COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1C ZINC000791692498 1077530692 /nfs/dbraw/zinc/53/06/92/1077530692.db2.gz MWHVWHVOLCMULQ-GFCCVEGCSA-N 0 0 416.386 2.867 20 5 HFBDRN COc1cc(C(=O)OCC(=O)c2ccc(CNC(C)=O)cc2)cc([N+](=O)[O-])c1C ZINC000791692512 1077530705 /nfs/dbraw/zinc/53/07/05/1077530705.db2.gz NDGDIBUSVJORTJ-UHFFFAOYSA-N 0 0 400.387 2.588 20 5 HFBDRN COc1cccc(CNC(=O)[C@H](C)OC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000791693585 1077531136 /nfs/dbraw/zinc/53/11/36/1077531136.db2.gz NKAKFEBMXIWNNU-ZDUSSCGKSA-N 0 0 402.403 2.782 20 5 HFBDRN O=C(NCCOC(=O)c1n[nH]c2c1CCCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000789359772 1077537084 /nfs/dbraw/zinc/53/70/84/1077537084.db2.gz ZRNLXDLOWNROAU-UHFFFAOYSA-N 0 0 406.826 2.827 20 5 HFBDRN CCS(=O)(=O)Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791797318 1077560539 /nfs/dbraw/zinc/56/05/39/1077560539.db2.gz ZUYFCIXRMKABDI-UHFFFAOYSA-N 0 0 409.376 2.622 20 5 HFBDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1cccnc1NC(=O)OC(C)(C)C ZINC000791783246 1077568648 /nfs/dbraw/zinc/56/86/48/1077568648.db2.gz JTHPADAKXPFVJW-UHFFFAOYSA-N 0 0 405.411 2.628 20 5 HFBDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000789438618 1077573059 /nfs/dbraw/zinc/57/30/59/1077573059.db2.gz RYKMHHGQHPUTLV-SFHVURJKSA-N 0 0 410.430 2.879 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCO[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000791827075 1077575879 /nfs/dbraw/zinc/57/58/79/1077575879.db2.gz WAIFACURJUHIAI-QZTJIDSGSA-N 0 0 406.435 2.594 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000789445898 1077577342 /nfs/dbraw/zinc/57/73/42/1077577342.db2.gz XTSZILKHVWXVQT-LJQANCHMSA-N 0 0 403.410 2.862 20 5 HFBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000791880568 1077584691 /nfs/dbraw/zinc/58/46/91/1077584691.db2.gz PHZMYKMDDDPZSI-CKYFFXLPSA-N 0 0 403.332 2.886 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000791889309 1077587117 /nfs/dbraw/zinc/58/71/17/1077587117.db2.gz OTDMVCSGFFVSEP-AWEZNQCLSA-N 0 0 404.442 2.957 20 5 HFBDRN CCS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000791899176 1077590240 /nfs/dbraw/zinc/59/02/40/1077590240.db2.gz QXGILNQIJMSXDD-UHFFFAOYSA-N 0 0 412.351 2.793 20 5 HFBDRN O=C(CN1CCc2ccccc2C1=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000789487092 1077590464 /nfs/dbraw/zinc/59/04/64/1077590464.db2.gz RQTDAKAVCYQLMR-INIZCTEOSA-N 0 0 413.405 2.554 20 5 HFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1Cc1ccccc1 ZINC000789486845 1077590525 /nfs/dbraw/zinc/59/05/25/1077590525.db2.gz PWCINTGJWLKXNY-SFHVURJKSA-N 0 0 417.487 2.763 20 5 HFBDRN Cc1cccc2c1OCC[C@@H]2OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000789500504 1077597117 /nfs/dbraw/zinc/59/71/17/1077597117.db2.gz UNMWMXFKBKCTFC-KRWDZBQOSA-N 0 0 420.443 2.591 20 5 HFBDRN COC(=O)COc1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)cc1[N+](=O)[O-] ZINC000789514204 1077605968 /nfs/dbraw/zinc/60/59/68/1077605968.db2.gz PZWAUIYBSKQMNY-UHFFFAOYSA-N 0 0 401.375 2.613 20 5 HFBDRN CC(C)Cc1ncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cn1 ZINC000791986823 1077624585 /nfs/dbraw/zinc/62/45/85/1077624585.db2.gz VNODUVQQXIMUSR-GFCCVEGCSA-N 0 0 401.398 2.714 20 5 HFBDRN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1CCCO ZINC000789593892 1077701188 /nfs/dbraw/zinc/70/11/88/1077701188.db2.gz YHLLTGKBSGTDKI-UHFFFAOYSA-N 0 0 416.415 2.888 20 5 HFBDRN COc1ccc(OC(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000792114467 1077702650 /nfs/dbraw/zinc/70/26/50/1077702650.db2.gz WQTPUPJTKJVQHL-UHFFFAOYSA-N 0 0 410.423 2.925 20 5 HFBDRN COc1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)cc1[N+](=O)[O-] ZINC000792117699 1077703480 /nfs/dbraw/zinc/70/34/80/1077703480.db2.gz IVTKVVYIOBGSPH-ZDUSSCGKSA-N 0 0 400.387 2.879 20 5 HFBDRN O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000789664211 1077709226 /nfs/dbraw/zinc/70/92/26/1077709226.db2.gz YNLMYRUMTCPUKH-IINYFYTJSA-N 0 0 400.313 2.690 20 5 HFBDRN CC(C)(C)OC(=O)NC(C)(C)C(N)=NO[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000789633056 1077712042 /nfs/dbraw/zinc/71/20/42/1077712042.db2.gz OFPVHXPVPWWECT-AWEZNQCLSA-N 0 0 421.454 2.502 20 5 HFBDRN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000792137251 1077719233 /nfs/dbraw/zinc/71/92/33/1077719233.db2.gz ZKBXZFRUBIEVQF-RAXLEYEMSA-N 0 0 403.412 2.828 20 5 HFBDRN O=C(Oc1ccc([C@H]2CCOC2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000792155319 1077725431 /nfs/dbraw/zinc/72/54/31/1077725431.db2.gz PLKWFEOQYPCDDD-HOCLYGCPSA-N 0 0 400.387 2.902 20 5 HFBDRN CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000792119917 1077727989 /nfs/dbraw/zinc/72/79/89/1077727989.db2.gz WQUBBCZSQGTPSK-ZDUSSCGKSA-N 0 0 400.387 2.961 20 5 HFBDRN COc1ccc(OC(=O)CN2CCc3cc(OC)c(OC)cc3C2)cc1[N+](=O)[O-] ZINC000792123606 1077729172 /nfs/dbraw/zinc/72/91/72/1077729172.db2.gz GEMZHYXOYUCERG-UHFFFAOYSA-N 0 0 402.403 2.584 20 5 HFBDRN CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000792125849 1077730233 /nfs/dbraw/zinc/73/02/33/1077730233.db2.gz YMGDCSAMFBGFLK-CYBMUJFWSA-N 0 0 400.387 2.961 20 5 HFBDRN O=C(c1ccccc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@@H]1CO ZINC000789670674 1077735993 /nfs/dbraw/zinc/73/59/93/1077735993.db2.gz CRESLKBNLKVONT-OAHLLOKOSA-N 0 0 400.391 2.712 20 5 HFBDRN COc1cc(C(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)cc([N+](=O)[O-])c1C ZINC000792221374 1077748095 /nfs/dbraw/zinc/74/80/95/1077748095.db2.gz JWWWMITXRMLBON-UHFFFAOYSA-N 0 0 420.476 2.629 20 5 HFBDRN Cn1c(COC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)nnc1-c1ccc(F)cc1 ZINC000789712885 1077752586 /nfs/dbraw/zinc/75/25/86/1077752586.db2.gz PFEJLUPNZNTEJE-UHFFFAOYSA-N 0 0 414.349 2.658 20 5 HFBDRN CN(c1ccc(-c2ccccc2)nn1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789739890 1077774331 /nfs/dbraw/zinc/77/43/31/1077774331.db2.gz OOCQZEJCBSEWFN-UHFFFAOYSA-N 0 0 415.387 2.785 20 5 HFBDRN CCn1cc([C@@H](O)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])Cc2ccccc2)cn1 ZINC000792366131 1077817007 /nfs/dbraw/zinc/81/70/07/1077817007.db2.gz RKKQMBLRXZVVGX-NRFANRHFSA-N 0 0 423.473 2.986 20 5 HFBDRN Cc1cccc(CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)n1 ZINC000792367538 1077818303 /nfs/dbraw/zinc/81/83/03/1077818303.db2.gz VBRDYUKNWGFMLS-UHFFFAOYSA-N 0 0 421.251 2.667 20 5 HFBDRN CCO[C@H]1C[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1(C)C ZINC000789880310 1077833726 /nfs/dbraw/zinc/83/37/26/1077833726.db2.gz AYEUQOMQHGFTQC-LRDDRELGSA-N 0 0 419.247 2.792 20 5 HFBDRN CC(C)OC(=O)C[C@@H](NC(=O)c1ccn(CC(F)F)n1)c1ccccc1[N+](=O)[O-] ZINC000789882062 1077834454 /nfs/dbraw/zinc/83/44/54/1077834454.db2.gz XSSPRIPRUCGZJR-CQSZACIVSA-N 0 0 410.377 2.869 20 5 HFBDRN COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000789865527 1077843161 /nfs/dbraw/zinc/84/31/61/1077843161.db2.gz PMXKXOZJPXLBSK-UHFFFAOYSA-N 0 0 422.235 2.755 20 5 HFBDRN C[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)C1CCN(CC(F)(F)F)CC1 ZINC000792443540 1077852020 /nfs/dbraw/zinc/85/20/20/1077852020.db2.gz FJXKAZCEPNEBIZ-VIFPVBQESA-N 0 0 417.413 2.992 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000792451583 1077855332 /nfs/dbraw/zinc/85/53/32/1077855332.db2.gz ONBHSDQZGFAQIO-UHFFFAOYSA-N 0 0 421.362 2.544 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000792473144 1077872467 /nfs/dbraw/zinc/87/24/67/1077872467.db2.gz ORDAJJLGJLJLEP-PWSUYJOCSA-N 0 0 415.240 2.506 20 5 HFBDRN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000792516704 1077883034 /nfs/dbraw/zinc/88/30/34/1077883034.db2.gz NGCHMLYXFHJQMN-MRXNPFEDSA-N 0 0 412.402 2.651 20 5 HFBDRN CCOc1cc(NC(=O)[C@@H]2CC(c3cccnc3)=NO2)c([N+](=O)[O-])cc1OCC ZINC000792526166 1077887261 /nfs/dbraw/zinc/88/72/61/1077887261.db2.gz YJEXIVOLCBGEJQ-SFHVURJKSA-N 0 0 400.391 2.919 20 5 HFBDRN O=[N+]([O-])c1cccc([C@H](O)CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000792567974 1077906796 /nfs/dbraw/zinc/90/67/96/1077906796.db2.gz RDZCQECXCCTVFN-GOSISDBHSA-N 0 0 423.397 2.707 20 5 HFBDRN O=[N+]([O-])c1ccc([C@H](O)CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000792569809 1077909527 /nfs/dbraw/zinc/90/95/27/1077909527.db2.gz YDFACDMICBPTAB-GOSISDBHSA-N 0 0 423.397 2.707 20 5 HFBDRN O=C(Oc1cnn(Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000792560707 1077911476 /nfs/dbraw/zinc/91/14/76/1077911476.db2.gz VORCDDCPRBSQCP-UHFFFAOYSA-N 0 0 408.414 2.895 20 5 HFBDRN CS(=O)(=O)c1ccccc1CC(=O)OCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000792583849 1077917564 /nfs/dbraw/zinc/91/75/64/1077917564.db2.gz PVIMFJSHPBSVOH-UHFFFAOYSA-N 0 0 416.411 2.939 20 5 HFBDRN O=C(NCC1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1)c1ccccn1 ZINC000772804634 1077925807 /nfs/dbraw/zinc/92/58/07/1077925807.db2.gz HTDGADKYTPYHTQ-UHFFFAOYSA-N 0 0 402.838 2.925 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)c1OC ZINC000790112966 1077941487 /nfs/dbraw/zinc/94/14/87/1077941487.db2.gz FBTUADYXFJWIDG-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN COC(=O)c1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(C)c([N+](=O)[O-])c1 ZINC000792632441 1077943604 /nfs/dbraw/zinc/94/36/04/1077943604.db2.gz ZHHAZWVPTWUSSI-UHFFFAOYSA-N 0 0 413.346 2.586 20 5 HFBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746877980 1077944028 /nfs/dbraw/zinc/94/40/28/1077944028.db2.gz QZARFPNNJVWYAC-QYSRSOONSA-N 0 0 400.460 2.902 20 5 HFBDRN COC(=O)c1cc(NC(=O)c2cc(S(C)(=O)=O)cc(C)c2C)c(C)c([N+](=O)[O-])c1 ZINC000792627048 1077946728 /nfs/dbraw/zinc/94/67/28/1077946728.db2.gz HHSZRJPRVDXRQI-UHFFFAOYSA-N 0 0 420.443 2.962 20 5 HFBDRN COc1ccc(C[C@H](C)N2CC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340517 1077952812 /nfs/dbraw/zinc/95/28/12/1077952812.db2.gz MTFUOTXWHZJXKS-BTYIYWSLSA-N 0 0 418.494 2.622 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000746883126 1077956597 /nfs/dbraw/zinc/95/65/97/1077956597.db2.gz PIZFSIDTFJMCGH-NSHDSACASA-N 0 0 404.427 2.821 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000790195544 1077967766 /nfs/dbraw/zinc/96/77/66/1077967766.db2.gz OFQXARNIJLBJEQ-ZDUSSCGKSA-N 0 0 401.423 2.666 20 5 HFBDRN Cc1cc(F)ccc1CN(C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000792708078 1077979597 /nfs/dbraw/zinc/97/95/97/1077979597.db2.gz UUWOEGNMXPNMID-FQEVSTJZSA-N 0 0 400.410 2.899 20 5 HFBDRN Cc1cc(F)ccc1CN(C)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000792708079 1077979631 /nfs/dbraw/zinc/97/96/31/1077979631.db2.gz UUWOEGNMXPNMID-HXUWFJFHSA-N 0 0 400.410 2.899 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000790349174 1078001355 /nfs/dbraw/zinc/00/13/55/1078001355.db2.gz XBAWGDPGWJIQJV-UHFFFAOYSA-N 0 0 409.395 2.664 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000790351268 1078002077 /nfs/dbraw/zinc/00/20/77/1078002077.db2.gz ODJFTHRVQXWJKZ-UHFFFAOYSA-N 0 0 423.422 2.972 20 5 HFBDRN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C(N)=O)c1cccc(Br)c1 ZINC000792871643 1078011936 /nfs/dbraw/zinc/01/19/36/1078011936.db2.gz NJFAMQKQOCWTAZ-HNNXBMFYSA-N 0 0 423.223 2.924 20 5 HFBDRN COc1ccc2c(c1)CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790392243 1078013904 /nfs/dbraw/zinc/01/39/04/1078013904.db2.gz QQUGWILOJNRJJR-UHFFFAOYSA-N 0 0 407.404 2.880 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-n3nccn3)cc2)c(C)c1[N+](=O)[O-] ZINC000790393583 1078013940 /nfs/dbraw/zinc/01/39/40/1078013940.db2.gz JJDSWZSETVHICV-UHFFFAOYSA-N 0 0 418.391 2.501 20 5 HFBDRN C[C@@H](Cn1ncc2ccccc21)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792851732 1078014627 /nfs/dbraw/zinc/01/46/27/1078014627.db2.gz JOJHANUYLVRXCY-LBPRGKRZSA-N 0 0 400.366 2.902 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)C[C@H]1CCCCO1)CC2 ZINC000790366882 1078015241 /nfs/dbraw/zinc/01/52/41/1078015241.db2.gz GYEHNLTWKSBQOB-LLVKDONJSA-N 0 0 419.297 2.614 20 5 HFBDRN CC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000792876155 1078015635 /nfs/dbraw/zinc/01/56/35/1078015635.db2.gz MAITVKAWLXNUBV-INIZCTEOSA-N 0 0 402.407 2.869 20 5 HFBDRN C[C@H](C1CC1)N(C)S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790370525 1078016625 /nfs/dbraw/zinc/01/66/25/1078016625.db2.gz OXIRVTMJRRZJAM-SNVBAGLBSA-N 0 0 418.313 2.691 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(CC[C@H]1CCS(=O)(=O)C1)CC2 ZINC000792892163 1078018101 /nfs/dbraw/zinc/01/81/01/1078018101.db2.gz KOXCKPJZJXDHHI-NSHDSACASA-N 0 0 403.298 2.540 20 5 HFBDRN O=C1[C@@H](N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCN1CC(F)(F)F ZINC000792896345 1078018736 /nfs/dbraw/zinc/01/87/36/1078018736.db2.gz FXUNFVOFMULTJU-ZDUSSCGKSA-N 0 0 422.201 2.879 20 5 HFBDRN C[C@@H](C(=O)Nc1ncccn1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792900512 1078019421 /nfs/dbraw/zinc/01/94/21/1078019421.db2.gz XBVKZPKWHLAIID-JTQLQIEISA-N 0 0 406.240 2.533 20 5 HFBDRN CC(C)(C)OC(=O)NC/C=C\CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000790436582 1078030411 /nfs/dbraw/zinc/03/04/11/1078030411.db2.gz MQZLNTPOJMHEBO-PLNGDYQASA-N 0 0 405.860 2.607 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC3(CCOCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000790445613 1078034090 /nfs/dbraw/zinc/03/40/90/1078034090.db2.gz MHWCUDZFTBRNTJ-UHFFFAOYSA-N 0 0 413.452 2.701 20 5 HFBDRN CO[C@]1(C)C[C@@H](OC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1(C)C ZINC000747327884 1079663152 /nfs/dbraw/zinc/66/31/52/1079663152.db2.gz FLHUZZJRQHVNDW-AEDCBLDQSA-N 0 0 414.480 2.786 20 5 HFBDRN CCOC(=O)C[C@@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC001130629583 1079708526 /nfs/dbraw/zinc/70/85/26/1079708526.db2.gz MFDGCLOHMNMTBJ-GFCCVEGCSA-N 0 0 410.370 2.939 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOc2c(F)cc(F)cc21 ZINC001130639065 1079737337 /nfs/dbraw/zinc/73/73/37/1079737337.db2.gz VHUGHRPSWXHHLO-UHFFFAOYSA-N 0 0 405.357 2.749 20 5 HFBDRN C[C@@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC001130752442 1080023077 /nfs/dbraw/zinc/02/30/77/1080023077.db2.gz SUMXFJDWTKDYDJ-SNVBAGLBSA-N 0 0 416.215 2.983 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOc2c(F)ccc(F)c21 ZINC001130765812 1080061811 /nfs/dbraw/zinc/06/18/11/1080061811.db2.gz IMHFQMOIKFJBEM-UHFFFAOYSA-N 0 0 405.357 2.749 20 5 HFBDRN O=C(Nc1cc2c([nH]c1=O)CCCC2)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001130795013 1080131193 /nfs/dbraw/zinc/13/11/93/1080131193.db2.gz FKVVUBWSTFVAQY-CQSZACIVSA-N 0 0 416.459 2.879 20 5 HFBDRN CCOc1cc(NC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)ccc1[N+](=O)[O-] ZINC001130799160 1080186007 /nfs/dbraw/zinc/18/60/07/1080186007.db2.gz 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CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000807333997 1080533220 /nfs/dbraw/zinc/53/32/20/1080533220.db2.gz YXHOICIANQBXIM-DUNVMPOJSA-N 0 0 409.508 2.589 20 5 HFBDRN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[S@]1=O ZINC000807333996 1080533299 /nfs/dbraw/zinc/53/32/99/1080533299.db2.gz YXHOICIANQBXIM-BTLMQPNFSA-N 0 0 409.508 2.589 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000807364568 1080564720 /nfs/dbraw/zinc/56/47/20/1080564720.db2.gz SGMWMMCHDAHFDU-UHFFFAOYSA-N 0 0 400.391 2.645 20 5 HFBDRN Cc1noc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000807420116 1080619496 /nfs/dbraw/zinc/61/94/96/1080619496.db2.gz GULLUFQVFJZECQ-AWEZNQCLSA-N 0 0 401.423 2.886 20 5 HFBDRN CON(C)S(=O)(=O)c1cccc(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001130954508 1080664726 /nfs/dbraw/zinc/66/47/26/1080664726.db2.gz AAIXIBPQCSFNJZ-UHFFFAOYSA-N 0 0 416.415 2.577 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000807521534 1080775205 /nfs/dbraw/zinc/77/52/05/1080775205.db2.gz HBSQQSVCZOEDJY-LBPRGKRZSA-N 0 0 409.801 2.527 20 5 HFBDRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164431931 718971774 /nfs/dbraw/zinc/97/17/74/718971774.db2.gz CTWJOAXOTYCHBL-SWLSCSKDSA-N 0 0 405.785 2.737 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCCO[C@@H]12 ZINC001164803370 721588464 /nfs/dbraw/zinc/58/84/64/721588464.db2.gz HUHKZGFWMNHQMR-SFHLNBCPSA-N 0 0 420.473 2.801 20 5 HFBDRN CC1(C)C(=O)NCCN1C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl ZINC001165051026 721995415 /nfs/dbraw/zinc/99/54/15/721995415.db2.gz CJBCLCGQKQEHDL-UHFFFAOYSA-N 0 0 411.796 2.965 20 5 HFBDRN CC1(C)C(=O)NCCN1C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl ZINC001165051369 721995492 /nfs/dbraw/zinc/99/54/92/721995492.db2.gz GEOBCWZBXWZUPQ-UHFFFAOYSA-N 0 0 411.796 2.965 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164989646 722175205 /nfs/dbraw/zinc/17/52/05/722175205.db2.gz UUJOGCBTNJMIGD-AEFFLSMTSA-N 0 0 403.508 2.933 20 5 HFBDRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001164994763 722214419 /nfs/dbraw/zinc/21/44/19/722214419.db2.gz DCBQZDVPWWJAQG-UHTWSYAYSA-N 0 0 418.828 2.697 20 5 HFBDRN CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)[C@H]2C1 ZINC001164994762 722214475 /nfs/dbraw/zinc/21/44/75/722214475.db2.gz DCBQZDVPWWJAQG-DRZSPHRISA-N 0 0 418.828 2.697 20 5 HFBDRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001164998105 722214715 /nfs/dbraw/zinc/21/47/15/722214715.db2.gz UAXMADZKCZQEBL-GDLCADMTSA-N 0 0 418.828 2.697 20 5 HFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165008832 722265225 /nfs/dbraw/zinc/26/52/25/722265225.db2.gz ZPPDOFFTOLXEQQ-NRFANRHFSA-N 0 0 413.453 2.673 20 5 HFBDRN CC1(C)NC(=O)N(CCCOc2cc(F)c(Br)cc2[N+](=O)[O-])C1=O ZINC000790519872 1078049704 /nfs/dbraw/zinc/04/97/04/1078049704.db2.gz NSHULQPKBITQSS-UHFFFAOYSA-N 0 0 404.192 2.596 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000793016110 1078050147 /nfs/dbraw/zinc/05/01/47/1078050147.db2.gz STPVKSQGTXTPPN-OAQYLSRUSA-N 0 0 417.437 2.994 20 5 HFBDRN Cc1c(CNC(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cccc1[N+](=O)[O-] ZINC000790561253 1078056319 /nfs/dbraw/zinc/05/63/19/1078056319.db2.gz ZUXKJRRTYGDFFH-UHFFFAOYSA-N 0 0 403.870 2.979 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H](O)COc1cccc(F)c1 ZINC000790543041 1078059270 /nfs/dbraw/zinc/05/92/70/1078059270.db2.gz OQIHCMCRZOGLNZ-LBPRGKRZSA-N 0 0 400.765 2.625 20 5 HFBDRN COc1ccc(NC(=O)C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1[N+](=O)[O-] ZINC000793093404 1078067504 /nfs/dbraw/zinc/06/75/04/1078067504.db2.gz VBNZLKZOTLKPBF-DOMZBBRYSA-N 0 0 402.234 2.584 20 5 HFBDRN C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793060672 1078069458 /nfs/dbraw/zinc/06/94/58/1078069458.db2.gz XNONCVGMUALBLU-LBPRGKRZSA-N 0 0 406.483 2.592 20 5 HFBDRN CN(C)S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)ccc1Cl ZINC000746933405 1078070964 /nfs/dbraw/zinc/07/09/64/1078070964.db2.gz AONMEWMVYHXNRS-UHFFFAOYSA-N 0 0 416.814 2.995 20 5 HFBDRN COC(=O)[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000790642287 1078073824 /nfs/dbraw/zinc/07/38/24/1078073824.db2.gz PXROLWVFQFBSIB-ZDUSSCGKSA-N 0 0 424.812 2.784 20 5 HFBDRN O=[N+]([O-])c1cc(I)ccc1OS(=O)(=O)CCCCF ZINC000805068589 1078083288 /nfs/dbraw/zinc/08/32/88/1078083288.db2.gz KAMAQURJUUFNCF-UHFFFAOYSA-N 0 0 403.169 2.658 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)OCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000746937514 1078083411 /nfs/dbraw/zinc/08/34/11/1078083411.db2.gz YLSWXDGEDDIMOT-UHFFFAOYSA-N 0 0 410.423 2.763 20 5 HFBDRN O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(-c2nc[nH]n2)c1 ZINC000793137733 1078088198 /nfs/dbraw/zinc/08/81/98/1078088198.db2.gz OMALQJWKMIHYCX-UHFFFAOYSA-N 0 0 408.418 2.848 20 5 HFBDRN C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000746938650 1078088750 /nfs/dbraw/zinc/08/87/50/1078088750.db2.gz IJXLOACJHNZRBD-FKIZINRSSA-N 0 0 421.425 2.914 20 5 HFBDRN CNc1c(C(=O)OCc2cn(-c3ccc(C(F)(F)F)cn3)nn2)cccc1[N+](=O)[O-] ZINC000793142260 1078089492 /nfs/dbraw/zinc/08/94/92/1078089492.db2.gz ZTJVIAWTXDUEIZ-UHFFFAOYSA-N 0 0 422.323 2.988 20 5 HFBDRN O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2nc[nH]n2)cc1 ZINC000793148233 1078090623 /nfs/dbraw/zinc/09/06/23/1078090623.db2.gz UAOLNVCGALULBV-INIZCTEOSA-N 0 0 421.413 2.842 20 5 HFBDRN COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc(Cl)c1OCC(N)=O ZINC000746940612 1078092220 /nfs/dbraw/zinc/09/22/20/1078092220.db2.gz FADUJXGYCGVGDD-UHFFFAOYSA-N 0 0 412.757 2.617 20 5 HFBDRN COCCNC(=O)c1ccccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790705701 1078101822 /nfs/dbraw/zinc/10/18/22/1078101822.db2.gz QJODBHBOCLIYLY-UHFFFAOYSA-N 0 0 409.801 2.945 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)ccc1F ZINC000793277147 1078117156 /nfs/dbraw/zinc/11/71/56/1078117156.db2.gz HSSYLDKSUUYRPM-HNNXBMFYSA-N 0 0 408.407 2.573 20 5 HFBDRN C[C@H](NC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1cnn(C)c1 ZINC000790732593 1078119195 /nfs/dbraw/zinc/11/91/95/1078119195.db2.gz RWYITNUIMCWCKB-JTQLQIEISA-N 0 0 408.256 2.920 20 5 HFBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790814740 1078128097 /nfs/dbraw/zinc/12/80/97/1078128097.db2.gz USDHVWVVWGOILF-KRWDZBQOSA-N 0 0 414.393 2.904 20 5 HFBDRN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC2 ZINC000790771296 1078128685 /nfs/dbraw/zinc/12/86/85/1078128685.db2.gz AXKHPPBOOBOHFJ-JKSUJKDBSA-N 0 0 400.834 2.708 20 5 HFBDRN COc1cc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000790778526 1078131146 /nfs/dbraw/zinc/13/11/46/1078131146.db2.gz AMQMINAXQGYVGD-PKOBYXMFSA-N 0 0 400.431 2.877 20 5 HFBDRN C[C@H](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[S@@](C)=O ZINC000790781506 1078132622 /nfs/dbraw/zinc/13/26/22/1078132622.db2.gz XWSYOALEQRIIRG-VKTRGTBVSA-N 0 0 418.313 2.582 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCCOC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000790837696 1078141055 /nfs/dbraw/zinc/14/10/55/1078141055.db2.gz GNQLVFFILUVNAF-UHFFFAOYSA-N 0 0 401.441 2.747 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)c1[N+](=O)[O-] ZINC000790839236 1078142111 /nfs/dbraw/zinc/14/21/11/1078142111.db2.gz NKWQFQWTZTWHQT-ZDUSSCGKSA-N 0 0 403.460 2.770 20 5 HFBDRN COc1nc(C)cc(C)c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790840848 1078143457 /nfs/dbraw/zinc/14/34/57/1078143457.db2.gz ZSVVRLHOUYXSLG-UHFFFAOYSA-N 0 0 424.435 2.619 20 5 HFBDRN COc1cccc(OCCN2CCN(C(=O)c3cc([N+](=O)[O-])cc(C)c3F)CC2)c1 ZINC000790848584 1078147163 /nfs/dbraw/zinc/14/71/63/1078147163.db2.gz BYTIIZHTYXRMEE-UHFFFAOYSA-N 0 0 417.437 2.888 20 5 HFBDRN CCCC(O)(CCC)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790847712 1078147422 /nfs/dbraw/zinc/14/74/22/1078147422.db2.gz CRTFVMQCRBHPCJ-UHFFFAOYSA-N 0 0 403.457 2.729 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CCO)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790850973 1078149498 /nfs/dbraw/zinc/14/94/98/1078149498.db2.gz ADSAPFQITCKWLW-CQSZACIVSA-N 0 0 409.420 2.522 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC(OCC3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000790852546 1078149544 /nfs/dbraw/zinc/14/95/44/1078149544.db2.gz YIXANEFDFMNNKF-UHFFFAOYSA-N 0 0 413.452 2.700 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CCO)c2cccs2)c(C)c1[N+](=O)[O-] ZINC000790853370 1078150313 /nfs/dbraw/zinc/15/03/13/1078150313.db2.gz OALHJRDQBAODNC-LLVKDONJSA-N 0 0 415.449 2.583 20 5 HFBDRN Cc1nc(C)c(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790854118 1078151193 /nfs/dbraw/zinc/15/11/93/1078151193.db2.gz UPZALAGQJVAFPD-UHFFFAOYSA-N 0 0 400.438 2.672 20 5 HFBDRN CCOC(=O)C1(CNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CCCC1 ZINC000790819481 1078154549 /nfs/dbraw/zinc/15/45/49/1078154549.db2.gz UVNXGSSGVGHFFK-UHFFFAOYSA-N 0 0 405.451 2.603 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-] ZINC000790867567 1078164105 /nfs/dbraw/zinc/16/41/05/1078164105.db2.gz UXNRPJRNDMPFPJ-UHFFFAOYSA-N 0 0 400.800 2.647 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000790867295 1078164327 /nfs/dbraw/zinc/16/43/27/1078164327.db2.gz RJPUTSKXPCBVNU-TZMCWYRMSA-N 0 0 415.468 2.537 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790836537 1078162115 /nfs/dbraw/zinc/16/21/15/1078162115.db2.gz UBKLSRMCXZAAQS-CQSZACIVSA-N 0 0 413.496 2.889 20 5 HFBDRN CCNC(=O)c1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790837589 1078162583 /nfs/dbraw/zinc/16/25/83/1078162583.db2.gz FKFYPJXSGXAHCI-UHFFFAOYSA-N 0 0 423.403 2.637 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCO[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790868032 1078165366 /nfs/dbraw/zinc/16/53/66/1078165366.db2.gz VSXRBYBRLHIOAJ-JSGCOSHPSA-N 0 0 401.441 2.602 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](OC(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000790869451 1078165671 /nfs/dbraw/zinc/16/56/71/1078165671.db2.gz FYGZSHVNNAWMIO-SNVBAGLBSA-N 0 0 409.367 2.512 20 5 HFBDRN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000772833257 1078166421 /nfs/dbraw/zinc/16/64/21/1078166421.db2.gz NWDJBAVEMQPIKR-JTQLQIEISA-N 0 0 411.827 2.671 20 5 HFBDRN COc1ccc(F)cc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790874121 1078167945 /nfs/dbraw/zinc/16/79/45/1078167945.db2.gz MVITYKQUHBYCCJ-UHFFFAOYSA-N 0 0 413.383 2.746 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000790874070 1078167952 /nfs/dbraw/zinc/16/79/52/1078167952.db2.gz KVAYSZHMNKGJCS-UKRRQHHQSA-N 0 0 415.468 2.992 20 5 HFBDRN CCn1ccc(CN(C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000790884239 1078170301 /nfs/dbraw/zinc/17/03/01/1078170301.db2.gz ILLCALMADBKGQV-UHFFFAOYSA-N 0 0 402.270 2.999 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)NC(=O)NC(C)(C)C ZINC000747120125 1078175533 /nfs/dbraw/zinc/17/55/33/1078175533.db2.gz XVOOAKGAXZOMAT-MRVPVSSYSA-N 0 0 405.329 2.783 20 5 HFBDRN COc1ccc(OS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1[N+](=O)[O-] ZINC000790896635 1078175535 /nfs/dbraw/zinc/17/55/35/1078175535.db2.gz SVQGQIKTAUNHBV-UHFFFAOYSA-N 0 0 408.310 2.707 20 5 HFBDRN COc1ccc(OS(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000790899549 1078177000 /nfs/dbraw/zinc/17/70/00/1078177000.db2.gz YDMRJCYJEWLBRZ-INIZCTEOSA-N 0 0 420.443 2.617 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)c(C)c1[N+](=O)[O-] ZINC000790859032 1078177947 /nfs/dbraw/zinc/17/79/47/1078177947.db2.gz IPJALRSANNTPQG-SUMWQHHRSA-N 0 0 415.468 2.849 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[C@@H]2CCCC[C@H]2O)c(C)c1[N+](=O)[O-] ZINC000790860313 1078178313 /nfs/dbraw/zinc/17/83/13/1078178313.db2.gz AEPMABUSDWUNSX-DZGCQCFKSA-N 0 0 415.468 2.729 20 5 HFBDRN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)CO2 ZINC000790861367 1078178524 /nfs/dbraw/zinc/17/85/24/1078178524.db2.gz DUSMGZMZLZZQGN-CYBMUJFWSA-N 0 0 407.404 2.840 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCOC3(CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000790862768 1078180836 /nfs/dbraw/zinc/18/08/36/1078180836.db2.gz UDWKTVKGLVUQFD-CYBMUJFWSA-N 0 0 413.452 2.890 20 5 HFBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)OC(C)(C)C ZINC000790864296 1078181473 /nfs/dbraw/zinc/18/14/73/1078181473.db2.gz XVLUASXQTGZSOF-LLVKDONJSA-N 0 0 417.440 2.518 20 5 HFBDRN CCOc1cc(N2CCC(OC(=O)[C@@]3(C)CCN(C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000747124329 1078186784 /nfs/dbraw/zinc/18/67/84/1078186784.db2.gz PWPXBZHICHVAQX-NRFANRHFSA-N 0 0 419.478 2.764 20 5 HFBDRN Cc1ccccc1-c1nc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)no1 ZINC000793689539 1078269024 /nfs/dbraw/zinc/26/90/24/1078269024.db2.gz GYEZELHWKXBYRN-UHFFFAOYSA-N 0 0 423.429 2.720 20 5 HFBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OCC1CCSCC1 ZINC000747142897 1078276256 /nfs/dbraw/zinc/27/62/56/1078276256.db2.gz FEZFVTCUXUREDD-GFCCVEGCSA-N 0 0 402.494 2.726 20 5 HFBDRN Cc1ccc(OC[C@H](C)NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000793781905 1078292981 /nfs/dbraw/zinc/29/29/81/1078292981.db2.gz QDYOMQHAYSHFMM-INIZCTEOSA-N 0 0 411.458 2.978 20 5 HFBDRN COc1ccc(C[C@@](C)(O)CNC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])cc1OC ZINC000793905819 1078334341 /nfs/dbraw/zinc/33/43/41/1078334341.db2.gz GDHXSMBXMWYHSD-HXUWFJFHSA-N 0 0 406.410 2.783 20 5 HFBDRN CN(CCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)OCc1ccccc1 ZINC000793973180 1078349899 /nfs/dbraw/zinc/34/98/99/1078349899.db2.gz UCFJIQMTDTZMOP-UHFFFAOYSA-N 0 0 411.418 2.746 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C[C@](C)(O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000794039118 1078363985 /nfs/dbraw/zinc/36/39/85/1078363985.db2.gz AJLHBPHHDDMDNN-QFIPXVFZSA-N 0 0 413.474 2.940 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000794040738 1078364042 /nfs/dbraw/zinc/36/40/42/1078364042.db2.gz WHDZFXYGZPCKAT-MRXNPFEDSA-N 0 0 412.446 2.956 20 5 HFBDRN CC(=O)N1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000794024017 1078363257 /nfs/dbraw/zinc/36/32/57/1078363257.db2.gz XYWXHBDLOUFFFN-JTQLQIEISA-N 0 0 418.675 2.999 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)CCCc3nc(CC)no3)CC2)ccc1[N+](=O)[O-] ZINC000794046843 1078365680 /nfs/dbraw/zinc/36/56/80/1078365680.db2.gz FGSZUVZTBHDTHM-UHFFFAOYSA-N 0 0 417.466 2.610 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@]2(CCOC2)O1 ZINC000794308538 1078407565 /nfs/dbraw/zinc/40/75/65/1078407565.db2.gz YDULQKZYGLFGPF-BDJLRTHQSA-N 0 0 417.231 2.907 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000794311541 1078408361 /nfs/dbraw/zinc/40/83/61/1078408361.db2.gz CRSWAIZQTHCFIT-IERDGZPVSA-N 0 0 403.479 2.851 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N(CCO)Cc1cccnc1Cl ZINC000794336822 1078418827 /nfs/dbraw/zinc/41/88/27/1078418827.db2.gz JJRKFWPWUMBEBK-UHFFFAOYSA-N 0 0 402.209 2.999 20 5 HFBDRN CCOC(=O)c1cc(C(=O)OC2CCN(CC(F)(F)F)CC2)cc([N+](=O)[O-])c1 ZINC000747185725 1078419519 /nfs/dbraw/zinc/41/95/19/1078419519.db2.gz PRGDXOKQYPCSCF-UHFFFAOYSA-N 0 0 404.341 2.955 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804376987 1078453715 /nfs/dbraw/zinc/45/37/15/1078453715.db2.gz ONDGAJCIIFMWCY-CYBMUJFWSA-N 0 0 408.455 2.826 20 5 HFBDRN COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC001129404516 1078455381 /nfs/dbraw/zinc/45/53/81/1078455381.db2.gz KTJFMWZPJIOFJA-UHFFFAOYSA-N 0 0 403.778 2.942 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000804427440 1078473733 /nfs/dbraw/zinc/47/37/33/1078473733.db2.gz VWJIKZGUXRXTIF-VAMGGRTRSA-N 0 0 406.442 2.976 20 5 HFBDRN O=C(c1ccc(F)c2ccncc12)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129439520 1078466181 /nfs/dbraw/zinc/46/61/81/1078466181.db2.gz BZCUBOOBVSOCLQ-UHFFFAOYSA-N 0 0 408.389 2.880 20 5 HFBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC001129500315 1078489999 /nfs/dbraw/zinc/48/99/99/1078489999.db2.gz ZMNCXPPRQFPBSU-GOEBONIOSA-N 0 0 416.503 2.993 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000804440317 1078504395 /nfs/dbraw/zinc/50/43/95/1078504395.db2.gz DYHVUZXYTMLOPX-LBPRGKRZSA-N 0 0 408.455 2.906 20 5 HFBDRN Cc1ccc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)c([N+](=O)[O-])c1Br ZINC000804673563 1078509133 /nfs/dbraw/zinc/50/91/33/1078509133.db2.gz HAIMIAVZKAUUMR-GFCCVEGCSA-N 0 0 418.313 2.670 20 5 HFBDRN O=C(c1ccc(OC2CCOCC2)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129496270 1078516427 /nfs/dbraw/zinc/51/64/27/1078516427.db2.gz ZZHQARKHLFYSQL-UHFFFAOYSA-N 0 0 412.446 2.510 20 5 HFBDRN C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1Cc1ccccc1 ZINC001129829427 1078523001 /nfs/dbraw/zinc/52/30/01/1078523001.db2.gz YIDOVAQMMFFFEY-HRAATJIYSA-N 0 0 408.458 2.821 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)C1 ZINC000804696848 1078538876 /nfs/dbraw/zinc/53/88/76/1078538876.db2.gz RTARTEMGBPBASF-FQEVSTJZSA-N 0 0 406.483 2.897 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000804701596 1078542688 /nfs/dbraw/zinc/54/26/88/1078542688.db2.gz HZKPVKICSVJAOQ-UHFFFAOYSA-N 0 0 405.476 2.554 20 5 HFBDRN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804526839 1078565907 /nfs/dbraw/zinc/56/59/07/1078565907.db2.gz LTVIUOWDQQULBH-JSGCOSHPSA-N 0 0 419.869 2.838 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)cc1 ZINC001129575409 1078566782 /nfs/dbraw/zinc/56/67/82/1078566782.db2.gz UYYCTIIHABTYHN-UHFFFAOYSA-N 0 0 407.400 2.517 20 5 HFBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)C1=O ZINC000804703238 1078567603 /nfs/dbraw/zinc/56/76/03/1078567603.db2.gz WCUZQEFRISAQEA-OAQYLSRUSA-N 0 0 423.429 2.531 20 5 HFBDRN CCc1c(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1Cc1ccccc1 ZINC001129609994 1078580374 /nfs/dbraw/zinc/58/03/74/1078580374.db2.gz HKHQAGQZHNBLLD-UHFFFAOYSA-N 0 0 420.473 2.759 20 5 HFBDRN COC(=O)c1ccc(CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])s1 ZINC001129893463 1078587093 /nfs/dbraw/zinc/58/70/93/1078587093.db2.gz RAUCVRYKIIVZHB-UHFFFAOYSA-N 0 0 416.358 2.983 20 5 HFBDRN Cc1ccc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)c([N+](=O)[O-])c1Br ZINC000804776762 1078601392 /nfs/dbraw/zinc/60/13/92/1078601392.db2.gz GWLLWSUVNVYFQL-GFCCVEGCSA-N 0 0 420.329 2.774 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)CCc1ccccc1[N+](=O)[O-] ZINC000804778356 1078603359 /nfs/dbraw/zinc/60/33/59/1078603359.db2.gz VRQKPDWGGLIYHS-UHFFFAOYSA-N 0 0 404.335 2.877 20 5 HFBDRN CCc1ccc(N2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)CC2)cc1Cl ZINC000804777954 1078603421 /nfs/dbraw/zinc/60/34/21/1078603421.db2.gz JHZBAYJUCHDFIT-UHFFFAOYSA-N 0 0 424.910 2.785 20 5 HFBDRN Cc1ccc(N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000747212243 1078603567 /nfs/dbraw/zinc/60/35/67/1078603567.db2.gz ZPENTTBYYFOBJO-HNNXBMFYSA-N 0 0 406.483 2.761 20 5 HFBDRN CCc1ccc(N2CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)CC2)cc1Cl ZINC000804779143 1078604496 /nfs/dbraw/zinc/60/44/96/1078604496.db2.gz SPPANAUSDSGVBS-UHFFFAOYSA-N 0 0 424.910 2.785 20 5 HFBDRN CN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)(C)CN1CCOCC1 ZINC001129659224 1078620502 /nfs/dbraw/zinc/62/05/02/1078620502.db2.gz XLPPBEVTELBFRG-UHFFFAOYSA-N 0 0 407.514 2.724 20 5 HFBDRN CC[C@H](CNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)CC(F)(F)F ZINC001129927912 1078622510 /nfs/dbraw/zinc/62/25/10/1078622510.db2.gz HZMBIZHQKPWVLG-JTQLQIEISA-N 0 0 401.341 2.957 20 5 HFBDRN CO[C@H]1C[C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCC2 ZINC001129666603 1078626826 /nfs/dbraw/zinc/62/68/26/1078626826.db2.gz DWAQBOHAXIJBJX-CABCVRRESA-N 0 0 403.464 2.562 20 5 HFBDRN C[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C(=O)OC(C)(C)C ZINC001129951626 1078627506 /nfs/dbraw/zinc/62/75/06/1078627506.db2.gz RLEKPLNKIWYMDI-DYVFJYSZSA-N 0 0 415.450 2.758 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000804801231 1078632386 /nfs/dbraw/zinc/63/23/86/1078632386.db2.gz ZACLBMQUWULZBO-WPRPVWTQSA-N 0 0 418.340 2.588 20 5 HFBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804809110 1078638492 /nfs/dbraw/zinc/63/84/92/1078638492.db2.gz OQWLZRLLIICHRF-PWSUYJOCSA-N 0 0 404.345 2.821 20 5 HFBDRN COc1c(Br)c([N+](=O)[O-])c(NCCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000804780992 1078639592 /nfs/dbraw/zinc/63/95/92/1078639592.db2.gz ARHJNVYCDKGMOM-UHFFFAOYSA-N 0 0 420.216 2.618 20 5 HFBDRN Cc1cc(=O)c(C(=O)Nc2ccc(F)c([C@@H](C)O)c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000804790519 1078645883 /nfs/dbraw/zinc/64/58/83/1078645883.db2.gz DIJLQDFPZUONRM-GFCCVEGCSA-N 0 0 412.377 2.894 20 5 HFBDRN CNS(=O)(=O)c1ccc(N2CCC([C@H](O)c3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000804811069 1078656642 /nfs/dbraw/zinc/65/66/42/1078656642.db2.gz OBURTQFASCQGOA-FQEVSTJZSA-N 0 0 419.503 2.761 20 5 HFBDRN Nc1ccc(N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000804613402 1078661071 /nfs/dbraw/zinc/66/10/71/1078661071.db2.gz RRSIJCXWRUWJGO-MRXNPFEDSA-N 0 0 402.476 2.538 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000804833573 1078673994 /nfs/dbraw/zinc/67/39/94/1078673994.db2.gz APPDACKQHAOBCE-OAHLLOKOSA-N 0 0 416.482 2.603 20 5 HFBDRN COc1cccc(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000804835442 1078677712 /nfs/dbraw/zinc/67/77/12/1078677712.db2.gz UYNFUFUDZQMGET-OAHLLOKOSA-N 0 0 406.483 2.735 20 5 HFBDRN CCS(=O)(=O)CCCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001129729301 1078679191 /nfs/dbraw/zinc/67/91/91/1078679191.db2.gz ZYGDDFYQDXEEGJ-AWEZNQCLSA-N 0 0 420.491 2.718 20 5 HFBDRN CCOc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804631172 1078686403 /nfs/dbraw/zinc/68/64/03/1078686403.db2.gz OMTZWPQLHNDTSJ-JKSUJKDBSA-N 0 0 421.450 2.503 20 5 HFBDRN NC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC001129741417 1078712699 /nfs/dbraw/zinc/71/26/99/1078712699.db2.gz RNSOGECLRWQPPF-GOSISDBHSA-N 0 0 418.247 2.627 20 5 HFBDRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000804661097 1078730257 /nfs/dbraw/zinc/73/02/57/1078730257.db2.gz QAKROFLOFGGGSV-LBPRGKRZSA-N 0 0 401.366 2.889 20 5 HFBDRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000804908443 1078730828 /nfs/dbraw/zinc/73/08/28/1078730828.db2.gz HSTCSPVVSDHOOR-VHSXEESVSA-N 0 0 409.443 2.849 20 5 HFBDRN 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Cc1ccc(Sc2ccc(CNC[C@@H]3CC(C(N)=O)=NO3)cc2[N+](=O)[O-])cc1 ZINC000789559921 1077678683 /nfs/dbraw/zinc/67/86/83/1077678683.db2.gz DJJAAAJNQPFRCW-AWEZNQCLSA-N 0 0 400.460 2.774 20 5 HFBDRN NC(=O)C1=NO[C@H](CNCc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1 ZINC000789561742 1077680980 /nfs/dbraw/zinc/68/09/80/1077680980.db2.gz TYLSVJJFOLIJEZ-LBPRGKRZSA-N 0 0 404.810 2.760 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2=O)c(C)c1 ZINC000789624108 1077694467 /nfs/dbraw/zinc/69/44/67/1077694467.db2.gz DNTBNAODGPQBJA-QGZVFWFLSA-N 0 0 424.457 2.689 20 5 HFBDRN CC(=O)N1CCc2ccccc2[C@H]1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000792101342 1077696388 /nfs/dbraw/zinc/69/63/88/1077696388.db2.gz MERZJYKWTXWWKR-LJQANCHMSA-N 0 0 411.414 2.613 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F ZINC000746834512 1077699932 /nfs/dbraw/zinc/69/99/32/1077699932.db2.gz OGOHGFIQELCAJO-HNNXBMFYSA-N 0 0 419.381 2.825 20 5 HFBDRN COc1ccc(OC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)cc1[N+](=O)[O-] ZINC000792113875 1077701917 /nfs/dbraw/zinc/70/19/17/1077701917.db2.gz PCRWKBFBWCPJTC-LBPRGKRZSA-N 0 0 423.447 2.502 20 5 HFBDRN COc1ccc(OC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1[N+](=O)[O-] ZINC000792120732 1077702860 /nfs/dbraw/zinc/70/28/60/1077702860.db2.gz TZFYDAJENVVKRH-ODXCJYRJSA-N 0 0 419.434 2.646 20 5 HFBDRN COc1cc(OC)cc(N2C[C@@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000792116282 1077703189 /nfs/dbraw/zinc/70/31/89/1077703189.db2.gz HRXNXMCCTDHZCO-LBPRGKRZSA-N 0 0 416.386 2.579 20 5 HFBDRN COc1ccc(OC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1[N+](=O)[O-] ZINC000792117667 1077703530 /nfs/dbraw/zinc/70/35/30/1077703530.db2.gz HMNZXQZIGMVETJ-UHFFFAOYSA-N 0 0 414.395 2.871 20 5 HFBDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000792118506 1077703727 /nfs/dbraw/zinc/70/37/27/1077703727.db2.gz OZMAWWRRWCIDSB-UHFFFAOYSA-N 0 0 408.432 2.853 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792118282 1077703847 /nfs/dbraw/zinc/70/38/47/1077703847.db2.gz CNLQMMGDCHFPMQ-UHFFFAOYSA-N 0 0 408.388 2.583 20 5 HFBDRN COc1ccc([C@H]2[C@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 ZINC000792118642 1077703898 /nfs/dbraw/zinc/70/38/98/1077703898.db2.gz GEHNPQKTCSDOBT-BEFAXECRSA-N 0 0 400.387 2.737 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2=O)c(C)c1 ZINC000789630413 1077709612 /nfs/dbraw/zinc/70/96/12/1077709612.db2.gz KETIDMJCOLUBTJ-QGZVFWFLSA-N 0 0 424.457 2.689 20 5 HFBDRN NC(=O)c1ccc(SCC(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000789655256 1077721292 /nfs/dbraw/zinc/72/12/92/1077721292.db2.gz ZQRRQQAEDYFWLH-QMTHXVAHSA-N 0 0 422.381 2.687 20 5 HFBDRN COc1cccc(/C=C(\C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)n2nnnc2C)c1 ZINC000792123270 1077729546 /nfs/dbraw/zinc/72/95/46/1077729546.db2.gz FFUWLKHRUKZYRL-LICLKQGHSA-N 0 0 411.374 2.511 20 5 HFBDRN COc1ccc(-n2cnnc2SCC(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000792125234 1077731084 /nfs/dbraw/zinc/73/10/84/1077731084.db2.gz UUFPYVGYODMHCM-UHFFFAOYSA-N 0 0 416.415 2.890 20 5 HFBDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792170902 1077733447 /nfs/dbraw/zinc/73/34/47/1077733447.db2.gz SERKNJXEXHGBQM-ZDUSSCGKSA-N 0 0 407.379 2.803 20 5 HFBDRN O=[N+]([O-])c1ccc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000789669481 1077734965 /nfs/dbraw/zinc/73/49/65/1077734965.db2.gz YCGDZPIRXJWRCD-UHFFFAOYSA-N 0 0 406.420 2.900 20 5 HFBDRN Cc1cnc(COC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000789671224 1077735564 /nfs/dbraw/zinc/73/55/64/1077735564.db2.gz LMJCKYJYIBXLKC-UHFFFAOYSA-N 0 0 419.337 2.652 20 5 HFBDRN CC(=O)N1CCN(Cc2ccccc2NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000789672922 1077736231 /nfs/dbraw/zinc/73/62/31/1077736231.db2.gz QCVDEHPGAFRBEN-UHFFFAOYSA-N 0 0 413.434 2.779 20 5 HFBDRN CCNc1ccc(C(=O)OCc2cc(S(C)(=O)=O)ccc2OC)cc1[N+](=O)[O-] ZINC000789684428 1077741131 /nfs/dbraw/zinc/74/11/31/1077741131.db2.gz AUXKSUGGDOQDDA-UHFFFAOYSA-N 0 0 408.432 2.796 20 5 HFBDRN COC(=O)C[C@](C)(NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000789716795 1077754843 /nfs/dbraw/zinc/75/48/43/1077754843.db2.gz NFMAAEBWJCBBKS-FQEVSTJZSA-N 0 0 414.393 2.678 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3c(C)c([N+](=O)[O-])ccc3F)cc2CC1 ZINC000789737137 1077771716 /nfs/dbraw/zinc/77/17/16/1077771716.db2.gz CAJXFBVWBWGRPJ-UHFFFAOYSA-N 0 0 421.450 2.790 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000792219727 1077772062 /nfs/dbraw/zinc/77/20/62/1077772062.db2.gz JKIUIXZDCQLPRH-UHFFFAOYSA-N 0 0 416.411 2.669 20 5 HFBDRN C[C@@H](c1nnnn1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000792219802 1077772295 /nfs/dbraw/zinc/77/22/95/1077772295.db2.gz LCEZQEYQIBFSAM-NSHDSACASA-N 0 0 411.388 2.818 20 5 HFBDRN CNc1c(C(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1[N+](=O)[O-] ZINC000789803409 1077805517 /nfs/dbraw/zinc/80/55/17/1077805517.db2.gz UYVKNHAVUNXKJZ-UHFFFAOYSA-N 0 0 422.781 2.785 20 5 HFBDRN CC(=O)OC(C)(C)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000792353657 1077812465 /nfs/dbraw/zinc/81/24/65/1077812465.db2.gz YGGKFOJPQDYIKY-MRVPVSSYSA-N 0 0 406.313 2.826 20 5 HFBDRN C[C@H]1CN(c2ccccc2F)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000789870571 1077844753 /nfs/dbraw/zinc/84/47/53/1077844753.db2.gz SBLJUJUOEGRZHZ-AWEZNQCLSA-N 0 0 401.394 2.663 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)CCc2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000747071601 1077858038 /nfs/dbraw/zinc/85/80/38/1077858038.db2.gz VCLJHSIRIFQYIU-LLVKDONJSA-N 0 0 406.395 2.613 20 5 HFBDRN CCOC(=O)[C@H]1CCCCN1C(=O)COc1cc([N+](=O)[O-])ccc1Br ZINC000789968969 1077875948 /nfs/dbraw/zinc/87/59/48/1077875948.db2.gz BBNJHTVWRSCAAA-CYBMUJFWSA-N 0 0 415.240 2.680 20 5 HFBDRN Cn1ncc([N+](=O)[O-])c1NC(=O)c1nc(Br)ccc1Br ZINC000792546996 1077898866 /nfs/dbraw/zinc/89/88/66/1077898866.db2.gz KGVNHOXIXCJMKH-UHFFFAOYSA-N 0 0 405.006 2.501 20 5 HFBDRN Cc1ccc([C@@H](O)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)o1 ZINC000790027453 1077918885 /nfs/dbraw/zinc/91/88/85/1077918885.db2.gz VATCCSZNPOULGJ-LBPRGKRZSA-N 0 0 419.253 2.579 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000790073461 1077922451 /nfs/dbraw/zinc/92/24/51/1077922451.db2.gz LNIMPNDFPOJGEG-LURJTMIESA-N 0 0 402.194 2.766 20 5 HFBDRN O=C(COC(=O)[C@H]1CCCCN1Cc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000790075960 1077924139 /nfs/dbraw/zinc/92/41/39/1077924139.db2.gz MRPYAMKGZHBGII-QGZVFWFLSA-N 0 0 416.409 2.665 20 5 HFBDRN O=C(Nc1nc(Br)ccc1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000790046983 1077928168 /nfs/dbraw/zinc/92/81/68/1077928168.db2.gz UAJIKZJWTRYYIS-UHFFFAOYSA-N 0 0 423.223 2.547 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000790051776 1077930857 /nfs/dbraw/zinc/93/08/57/1077930857.db2.gz SJQLLNTXICQSGO-SNVBAGLBSA-N 0 0 407.286 2.902 20 5 HFBDRN COCCN(C(=O)CC1OCCCO1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000790114981 1077943291 /nfs/dbraw/zinc/94/32/91/1077943291.db2.gz BGBOOIKRYOXOKA-UHFFFAOYSA-N 0 0 407.448 2.851 20 5 HFBDRN COC(=O)c1cc(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000792625396 1077945470 /nfs/dbraw/zinc/94/54/70/1077945470.db2.gz DEKJBAQNTUFFFP-UHFFFAOYSA-N 0 0 402.363 2.673 20 5 HFBDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000792626320 1077945831 /nfs/dbraw/zinc/94/58/31/1077945831.db2.gz NBDPNRXYNYCNIR-UHFFFAOYSA-N 0 0 420.443 2.908 20 5 HFBDRN COC(=O)c1cc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c([N+](=O)[O-])c1 ZINC000792627119 1077946717 /nfs/dbraw/zinc/94/67/17/1077946717.db2.gz ICKVOYXVYKQCJZ-UHFFFAOYSA-N 0 0 406.416 2.654 20 5 HFBDRN COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c(C)c([N+](=O)[O-])c1 ZINC000792626451 1077947441 /nfs/dbraw/zinc/94/74/41/1077947441.db2.gz PXZXMIIDWHWQKP-CYBMUJFWSA-N 0 0 415.377 2.821 20 5 HFBDRN COC(=O)[C@H](CCC(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170307193 1077947869 /nfs/dbraw/zinc/94/78/69/1077947869.db2.gz FCQCBZMPOJKQKU-CJNGLKHVSA-N 0 0 410.467 2.788 20 5 HFBDRN CCOC(=O)c1cnc2n1CCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@@H]2C ZINC001170354891 1077948894 /nfs/dbraw/zinc/94/88/94/1077948894.db2.gz RKVJHIIQYRSVSN-UONOGXRCSA-N 0 0 402.451 2.984 20 5 HFBDRN COc1cccc(C2=NO[C@@H](C(=O)Nc3n[nH]c(-c4cccc([N+](=O)[O-])c4)n3)C2)c1 ZINC000792642224 1077951329 /nfs/dbraw/zinc/95/13/29/1077951329.db2.gz PYLURPCEHBFVIE-MRXNPFEDSA-N 0 0 408.374 2.520 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339404 1077952345 /nfs/dbraw/zinc/95/23/45/1077952345.db2.gz AZZVBYNBHHLPDZ-VGSWGCGISA-N 0 0 419.522 2.884 20 5 HFBDRN COc1cc(COC(=O)C(C)(C)S(=O)(=O)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000792633839 1077954540 /nfs/dbraw/zinc/95/45/40/1077954540.db2.gz FFUHWSNYMHSOPO-UHFFFAOYSA-N 0 0 423.390 2.604 20 5 HFBDRN CN(CCN1CCOC(C)(C)C1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000790122964 1077958617 /nfs/dbraw/zinc/95/86/17/1077958617.db2.gz WWIUUNNBBCTBDM-UHFFFAOYSA-N 0 0 404.511 2.768 20 5 HFBDRN Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1NCC(=O)NCc1ccco1 ZINC001170380097 1077963383 /nfs/dbraw/zinc/96/33/83/1077963383.db2.gz IXKWMQRTAKYHIL-UHFFFAOYSA-N 0 0 401.810 2.757 20 5 HFBDRN COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000790171596 1077964755 /nfs/dbraw/zinc/96/47/55/1077964755.db2.gz WKEKPZAZIWQWIL-UHFFFAOYSA-N 0 0 403.366 2.588 20 5 HFBDRN CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412478 1077966835 /nfs/dbraw/zinc/96/68/35/1077966835.db2.gz SGWMCFGKZLZQJL-YLJYHZDGSA-N 0 0 404.488 2.911 20 5 HFBDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000792711549 1077972113 /nfs/dbraw/zinc/97/21/13/1077972113.db2.gz AOSYCLKRZARGML-JMGYQRAPSA-N 0 0 421.504 2.851 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)c1F ZINC000790247945 1077976026 /nfs/dbraw/zinc/97/60/26/1077976026.db2.gz CGNQJCUMTMUQDL-KBPBESRZSA-N 0 0 402.426 2.981 20 5 HFBDRN COC(=O)c1cc(N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c(C)c([N+](=O)[O-])c1 ZINC000792737245 1077980482 /nfs/dbraw/zinc/98/04/82/1077980482.db2.gz XZAKGNVJESJDGA-HNNXBMFYSA-N 0 0 414.374 2.815 20 5 HFBDRN O=[N+]([O-])c1ccc(OCCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000790267343 1077990876 /nfs/dbraw/zinc/99/08/76/1077990876.db2.gz WOHCVBUPAQLIPO-UHFFFAOYSA-N 0 0 402.407 2.826 20 5 HFBDRN CC(C)(C)C(=O)NCc1ccc(Cl)c(C(=O)OCCn2ccc([N+](=O)[O-])n2)c1 ZINC000792798227 1077994628 /nfs/dbraw/zinc/99/46/28/1077994628.db2.gz GCBOZSHEJLPQRE-UHFFFAOYSA-N 0 0 408.842 2.964 20 5 HFBDRN C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000790344659 1078000318 /nfs/dbraw/zinc/00/03/18/1078000318.db2.gz SUVCOXARQOVCKK-KBPBESRZSA-N 0 0 414.418 2.708 20 5 HFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC(OC(=O)Nc2cccc(F)c2)C1 ZINC000790350977 1078001722 /nfs/dbraw/zinc/00/17/22/1078001722.db2.gz KKVLFRAUYKJWCG-UHFFFAOYSA-N 0 0 423.422 2.918 20 5 HFBDRN COc1cc(COC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)c([N+](=O)[O-])cc1F ZINC000792813757 1078002309 /nfs/dbraw/zinc/00/23/09/1078002309.db2.gz BPTKUCKDJIHXDS-ZDUSSCGKSA-N 0 0 409.391 2.747 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCCOc2ccc(S(C)(=O)=O)cc2)c1F ZINC000790332279 1078005638 /nfs/dbraw/zinc/00/56/38/1078005638.db2.gz NRBPHNNQYGAWEX-UHFFFAOYSA-N 0 0 424.450 2.987 20 5 HFBDRN COc1cc(Cl)c(S(=O)(=O)Oc2ccc(C=O)cc2[N+](=O)[O-])cc1OC ZINC000790340519 1078007177 /nfs/dbraw/zinc/00/71/77/1078007177.db2.gz QOTBSWOFOPWAMX-UHFFFAOYSA-N 0 0 401.780 2.846 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)c1F ZINC000790380966 1078009083 /nfs/dbraw/zinc/00/90/83/1078009083.db2.gz ZQLOIZHTZFKLBC-AWEZNQCLSA-N 0 0 410.199 2.761 20 5 HFBDRN C[C@@]12CCN(S(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]1C2(Cl)Cl ZINC000790381104 1078009109 /nfs/dbraw/zinc/00/91/09/1078009109.db2.gz SJSFMSHESKUMSI-UONOGXRCSA-N 0 0 423.274 2.570 20 5 HFBDRN CN(C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000790385298 1078011225 /nfs/dbraw/zinc/01/12/25/1078011225.db2.gz RRWOSTDKNCKVJP-STQMWFEESA-N 0 0 417.459 2.563 20 5 HFBDRN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000792871647 1078011949 /nfs/dbraw/zinc/01/19/49/1078011949.db2.gz NJFAMQKQOCWTAZ-OAHLLOKOSA-N 0 0 423.223 2.924 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2ccc3c[nH]nc3c2)c(C)c1[N+](=O)[O-] ZINC000790387542 1078012096 /nfs/dbraw/zinc/01/20/96/1078012096.db2.gz RPSSETBTYFZEPC-UHFFFAOYSA-N 0 0 419.419 2.517 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccnc1OC(C)C ZINC000792839003 1078012500 /nfs/dbraw/zinc/01/25/00/1078012500.db2.gz RWWDSIVUPDDNCN-LBPRGKRZSA-N 0 0 403.391 2.970 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOc3cc(F)ccc32)c(C)c1[N+](=O)[O-] ZINC000790390301 1078012780 /nfs/dbraw/zinc/01/27/80/1078012780.db2.gz OAVYFWODAQMGHR-UHFFFAOYSA-N 0 0 411.367 2.847 20 5 HFBDRN Cc1ccc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cn1 ZINC000790368960 1078016126 /nfs/dbraw/zinc/01/61/26/1078016126.db2.gz MKXCIIYZUQYPON-UHFFFAOYSA-N 0 0 412.265 2.808 20 5 HFBDRN COc1cc(CCNC(=O)c2cccc([N+](=O)[O-])c2OC)c([N+](=O)[O-])cc1OC ZINC000792887022 1078017212 /nfs/dbraw/zinc/01/72/12/1078017212.db2.gz NJXSCDUSPDZWFL-UHFFFAOYSA-N 0 0 405.363 2.501 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)cc1Br ZINC000790404553 1078019144 /nfs/dbraw/zinc/01/91/44/1078019144.db2.gz RXEPZNBUJOSRKI-KGLIPLIRSA-N 0 0 405.270 2.689 20 5 HFBDRN CN(C)c1cc(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])ccn1 ZINC000796945154 1078020784 /nfs/dbraw/zinc/02/07/84/1078020784.db2.gz MTDCCCYSVYTPCQ-UHFFFAOYSA-N 0 0 408.256 2.893 20 5 HFBDRN C[C@H](C(=O)NCC(F)(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792916659 1078025104 /nfs/dbraw/zinc/02/51/04/1078025104.db2.gz ZOKUGTMMUHFCAG-MRVPVSSYSA-N 0 0 410.190 2.782 20 5 HFBDRN O=C(CN1CCC(CC(F)(F)F)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792934468 1078028621 /nfs/dbraw/zinc/02/86/21/1078028621.db2.gz VZAMGSVFYHMRSV-UHFFFAOYSA-N 0 0 414.428 2.908 20 5 HFBDRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000790433027 1078029020 /nfs/dbraw/zinc/02/90/20/1078029020.db2.gz GUQDHDWYDAQDKZ-XJKSGUPXSA-N 0 0 424.450 2.741 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000790436893 1078030346 /nfs/dbraw/zinc/03/03/46/1078030346.db2.gz BAIKZDSSROGTFO-UHFFFAOYSA-N 0 0 406.851 2.972 20 5 HFBDRN COc1ccc([C@H](O)CNC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 ZINC000792954609 1078034320 /nfs/dbraw/zinc/03/43/20/1078034320.db2.gz PQSMHMDUNZDURY-GOSISDBHSA-N 0 0 415.446 2.689 20 5 HFBDRN CCn1c(-c2ccc([N+](=O)[O-])cc2)nn(CN2CC[C@@H](N3CCCC3=O)C2)c1=S ZINC000790450700 1078035595 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Cc1c(CNC(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000790564990 1078056897 /nfs/dbraw/zinc/05/68/97/1078056897.db2.gz SBTWQKUCPSYLNM-INIZCTEOSA-N 0 0 421.837 2.861 20 5 HFBDRN CON(Cc1ccccc1)C(=O)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000793056496 1078057921 /nfs/dbraw/zinc/05/79/21/1078057921.db2.gz ZNWAXWISKZVKOG-UHFFFAOYSA-N 0 0 408.208 2.886 20 5 HFBDRN Cc1ccc(OCc2nc(CS(=O)(=O)CCn3cc([N+](=O)[O-])cn3)cs2)cc1 ZINC000772826438 1078058413 /nfs/dbraw/zinc/05/84/13/1078058413.db2.gz FGDUBESNDSOTIE-UHFFFAOYSA-N 0 0 422.488 2.750 20 5 HFBDRN CC(C)N1C(=S)N=NC1CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793022134 1078058458 /nfs/dbraw/zinc/05/84/58/1078058458.db2.gz YWICHCANILGXFR-UHFFFAOYSA-N 0 0 420.495 2.608 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000790571906 1078058455 /nfs/dbraw/zinc/05/84/55/1078058455.db2.gz HJDJEXPOJCXNBC-UHFFFAOYSA-N 0 0 411.777 2.898 20 5 HFBDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000793065843 1078060629 /nfs/dbraw/zinc/06/06/29/1078060629.db2.gz CMXFLRSCHCJJJL-CQSZACIVSA-N 0 0 419.478 2.627 20 5 HFBDRN CC(C)n1ncc2c1C[C@H](NC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC000790580992 1078060859 /nfs/dbraw/zinc/06/08/59/1078060859.db2.gz XVFLNROZVUEAKP-QGZVFWFLSA-N 0 0 412.494 2.761 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)N(C)CC3)c(C)c1[N+](=O)[O-] ZINC000790635926 1078070728 /nfs/dbraw/zinc/07/07/28/1078070728.db2.gz LCALSDAFGVUGKO-UHFFFAOYSA-N 0 0 406.420 2.913 20 5 HFBDRN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)OCc1ccc([N+](=O)[O-])cc1F ZINC000746933675 1078071000 /nfs/dbraw/zinc/07/10/00/1078071000.db2.gz CXEZYFIXCGDFSJ-LUAWRHEFSA-N 0 0 408.407 2.758 20 5 HFBDRN CCOC1(C(=O)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CCCC1 ZINC000793126276 1078072075 /nfs/dbraw/zinc/07/20/75/1078072075.db2.gz SBOCSNHCAWCDEQ-UHFFFAOYSA-N 0 0 414.480 2.880 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793097119 1078074677 /nfs/dbraw/zinc/07/46/77/1078074677.db2.gz NNNBFZJTYGKHRE-CJNGLKHVSA-N 0 0 416.261 2.974 20 5 HFBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCCC3CS(=O)(=O)C3)cc2[N+](=O)[O-])C1 ZINC000790628976 1078082206 /nfs/dbraw/zinc/08/22/06/1078082206.db2.gz AWTQOQCIDJWTNA-OKILXGFUSA-N 0 0 410.492 2.669 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000790682037 1078089735 /nfs/dbraw/zinc/08/97/35/1078089735.db2.gz HSQUSODURBPJBE-HNNXBMFYSA-N 0 0 409.801 2.830 20 5 HFBDRN COCCN(CC(=O)OC(C)(C)C)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790649193 1078093234 /nfs/dbraw/zinc/09/32/34/1078093234.db2.gz SGBZISNADNGKBA-UHFFFAOYSA-N 0 0 404.822 2.747 20 5 HFBDRN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000793173579 1078094369 /nfs/dbraw/zinc/09/43/69/1078094369.db2.gz RPMQXJBYZCLNPW-OWCLPIDISA-N 0 0 419.459 2.779 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)O[C@H]3CCN(C(C)C)C3=O)cc2)c(C)c1[N+](=O)[O-] ZINC000746939916 1078095464 /nfs/dbraw/zinc/09/54/64/1078095464.db2.gz YBFYWZGVLOTOCK-KRWDZBQOSA-N 0 0 400.435 2.623 20 5 HFBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793238695 1078103789 /nfs/dbraw/zinc/10/37/89/1078103789.db2.gz JKTDFUAJTBOVKR-KDURUIRLSA-N 0 0 420.425 2.803 20 5 HFBDRN COC(=O)c1cnc(N2CCC([C@H](C)NC(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000790769064 1078114896 /nfs/dbraw/zinc/11/48/96/1078114896.db2.gz XCKBDIBLEKOYQO-LBPRGKRZSA-N 0 0 408.455 2.906 20 5 HFBDRN COc1cc(C(=O)O[C@H]2C(=O)OCC2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000793293730 1078120510 /nfs/dbraw/zinc/12/05/10/1078120510.db2.gz HNFRMYMLRNARQZ-HNNXBMFYSA-N 0 0 422.415 2.747 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC(=O)Nc1ccccc1 ZINC000790744883 1078122947 /nfs/dbraw/zinc/12/29/47/1078122947.db2.gz DOVXEDQCUFPBGS-UHFFFAOYSA-N 0 0 409.757 2.821 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC(=O)c1cccs1 ZINC000790747233 1078123918 /nfs/dbraw/zinc/12/39/18/1078123918.db2.gz WMSZGHMNYRKQMM-UHFFFAOYSA-N 0 0 414.798 2.534 20 5 HFBDRN COC(=O)c1cnc(N2CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC000790770522 1078124376 /nfs/dbraw/zinc/12/43/76/1078124376.db2.gz GOUUFATZCOTXEO-LJQANCHMSA-N 0 0 406.439 2.614 20 5 HFBDRN CC[C@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790771133 1078128648 /nfs/dbraw/zinc/12/86/48/1078128648.db2.gz BYGVDYQELJOFFO-JSGCOSHPSA-N 0 0 408.455 2.906 20 5 HFBDRN COc1cc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000790778523 1078131185 /nfs/dbraw/zinc/13/11/85/1078131185.db2.gz AMQMINAXQGYVGD-MJGOQNOKSA-N 0 0 400.431 2.877 20 5 HFBDRN CC(C)c1nnc(CCC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000747112389 1078139440 /nfs/dbraw/zinc/13/94/40/1078139440.db2.gz DEHINXIJYHLQTP-UHFFFAOYSA-N 0 0 410.814 2.660 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccccc2N(C)C)c(C)c1[N+](=O)[O-] ZINC000790838156 1078141466 /nfs/dbraw/zinc/14/14/66/1078141466.db2.gz NADCZRUENMRZFA-UHFFFAOYSA-N 0 0 408.436 2.664 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2cccc(N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000790838100 1078141501 /nfs/dbraw/zinc/14/15/01/1078141501.db2.gz KPQHIZYHWVHMSJ-UHFFFAOYSA-N 0 0 408.436 2.664 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000790843703 1078145712 /nfs/dbraw/zinc/14/57/12/1078145712.db2.gz QWEZNCIYAANBAS-UHFFFAOYSA-N 0 0 412.851 2.887 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790844722 1078146278 /nfs/dbraw/zinc/14/62/78/1078146278.db2.gz ZQMSLSVGITVXAS-CQSZACIVSA-N 0 0 413.496 2.889 20 5 HFBDRN COC(=O)Cc1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790848077 1078147457 /nfs/dbraw/zinc/14/74/57/1078147457.db2.gz GQBVIVPKUPQQKH-UHFFFAOYSA-N 0 0 424.387 2.603 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCc3ccc(O)cc3CC2)c(C)c1[N+](=O)[O-] ZINC000790850795 1078149502 /nfs/dbraw/zinc/14/95/02/1078149502.db2.gz BZRCLMBCSYOQCC-UHFFFAOYSA-N 0 0 421.431 2.615 20 5 HFBDRN Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790850856 1078149528 /nfs/dbraw/zinc/14/95/28/1078149528.db2.gz CVHKOANJAISRLK-QMMMGPOBSA-N 0 0 412.424 2.634 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790851669 1078150020 /nfs/dbraw/zinc/15/00/20/1078150020.db2.gz MMLAJEOOBNUOPV-OAHLLOKOSA-N 0 0 409.420 2.522 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790856263 1078151934 /nfs/dbraw/zinc/15/19/34/1078151934.db2.gz IMCBGISPKOSOJT-BDJLRTHQSA-N 0 0 423.447 2.910 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000790855814 1078152174 /nfs/dbraw/zinc/15/21/74/1078152174.db2.gz DBVYWBQXSFKCGW-NHYWBVRUSA-N 0 0 423.451 2.588 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] ZINC000790823812 1078157525 /nfs/dbraw/zinc/15/75/25/1078157525.db2.gz OAEZTUVKQVXGHT-NSHDSACASA-N 0 0 423.403 2.888 20 5 HFBDRN CCOC(=O)N[C@H](CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])CC(C)C ZINC000790826213 1078158076 /nfs/dbraw/zinc/15/80/76/1078158076.db2.gz KGCQHDBQULFWIO-AWEZNQCLSA-N 0 0 401.485 2.651 20 5 HFBDRN COCCN(Cc1ccco1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790827190 1078158363 /nfs/dbraw/zinc/15/83/63/1078158363.db2.gz GXAVTZBSOFDCGV-UHFFFAOYSA-N 0 0 413.408 2.550 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)C2Cc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000790835718 1078162575 /nfs/dbraw/zinc/16/25/75/1078162575.db2.gz JVWXAPBTOPSKBS-UHFFFAOYSA-N 0 0 405.432 2.908 20 5 HFBDRN C[C@H](c1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000772833259 1078166443 /nfs/dbraw/zinc/16/64/43/1078166443.db2.gz NWDJBAVEMQPIKR-SNVBAGLBSA-N 0 0 411.827 2.671 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1[N+](=O)[O-] ZINC000790884559 1078170072 /nfs/dbraw/zinc/17/00/72/1078170072.db2.gz YSHPXKDWUAERIE-UHFFFAOYSA-N 0 0 407.404 2.572 20 5 HFBDRN COc1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c(C(N)=O)cc1OC ZINC000790894105 1078174875 /nfs/dbraw/zinc/17/48/75/1078174875.db2.gz CJIHBCSGQDOBRF-UHFFFAOYSA-N 0 0 411.773 2.685 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000790895526 1078175150 /nfs/dbraw/zinc/17/51/50/1078175150.db2.gz GNOGJFHSCXBGRE-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 ZINC000790897834 1078176988 /nfs/dbraw/zinc/17/69/88/1078176988.db2.gz IBINTRPKFMWGQA-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccn(C3CCCC3)n2)c(C)c1[N+](=O)[O-] ZINC000790861456 1078178530 /nfs/dbraw/zinc/17/85/30/1078178530.db2.gz KPVVJNXDARDKRL-UHFFFAOYSA-N 0 0 423.451 2.910 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000790864348 1078181488 /nfs/dbraw/zinc/18/14/88/1078181488.db2.gz YPPRMKVBEBWTBE-ZWKOTPCHSA-N 0 0 420.487 2.725 20 5 HFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)OCCNc1ncc(C(F)(F)F)cc1Cl ZINC000747125202 1078191109 /nfs/dbraw/zinc/19/11/09/1078191109.db2.gz WHNXIHDOAICKKN-UHFFFAOYSA-N 0 0 407.736 2.904 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCC(Oc3ccc(F)nc3)CC2)c1[N+](=O)[O-] ZINC000790918853 1078183444 /nfs/dbraw/zinc/18/34/44/1078183444.db2.gz YMVBFKBQOPBRLR-UHFFFAOYSA-N 0 0 409.439 2.978 20 5 HFBDRN CCc1nnc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3C)CC2)[nH]1 ZINC000790920039 1078184066 /nfs/dbraw/zinc/18/40/66/1078184066.db2.gz RJQHTISUIMNXPV-UHFFFAOYSA-N 0 0 413.887 2.805 20 5 HFBDRN CN(C[C@@H]1C[C@H](F)CN1C(=O)CN(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000793474796 1078185608 /nfs/dbraw/zinc/18/56/08/1078185608.db2.gz PLUJBEFWGLRBOJ-GJZGRUSLSA-N 0 0 424.473 2.837 20 5 HFBDRN CC1(C)CN(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)[C@@H]1c1cccnc1 ZINC000793570700 1078224553 /nfs/dbraw/zinc/22/45/53/1078224553.db2.gz HAXIVMSYSMQCPI-UTKZUKDTSA-N 0 0 409.446 2.797 20 5 HFBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ncc2Br)cccc1N1CN=NC1=O ZINC000793644324 1078239586 /nfs/dbraw/zinc/23/95/86/1078239586.db2.gz DOELBFMTMPIQMQ-UHFFFAOYSA-N 0 0 419.195 2.599 20 5 HFBDRN O=C(CN1CC[C@H](c2ccccc2)S1(=O)=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000793855585 1078324431 /nfs/dbraw/zinc/32/44/31/1078324431.db2.gz GILTWZYWFQMSIH-MRXNPFEDSA-N 0 0 409.851 2.964 20 5 HFBDRN CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000793945033 1078354224 /nfs/dbraw/zinc/35/42/24/1078354224.db2.gz BPBFIBMFVNRREH-RDJZCZTQSA-N 0 0 419.526 2.924 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000794040736 1078364011 /nfs/dbraw/zinc/36/40/11/1078364011.db2.gz WHDZFXYGZPCKAT-INIZCTEOSA-N 0 0 412.446 2.956 20 5 HFBDRN CCc1[nH]nc(C(=O)Nc2cc(C)c(F)cc2C(=O)NCC(F)(F)F)c1[N+](=O)[O-] ZINC000794000232 1078359345 /nfs/dbraw/zinc/35/93/45/1078359345.db2.gz DVRMIKUSWKLZON-UHFFFAOYSA-N 0 0 417.319 2.872 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000794042705 1078364482 /nfs/dbraw/zinc/36/44/82/1078364482.db2.gz LPDIUVKFUGOGBW-UHFFFAOYSA-N 0 0 414.418 2.793 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3c(CC)nn(C)c3Cl)CC2)ccc1[N+](=O)[O-] ZINC000794041221 1078364396 /nfs/dbraw/zinc/36/43/96/1078364396.db2.gz GGWFADLJSKQQOT-UHFFFAOYSA-N 0 0 421.885 2.905 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000794050124 1078365991 /nfs/dbraw/zinc/36/59/91/1078365991.db2.gz XMLSAEJHHBLEGU-LJQANCHMSA-N 0 0 417.437 2.905 20 5 HFBDRN CC(C)OCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ncc2Br)no1 ZINC000794170602 1078380174 /nfs/dbraw/zinc/38/01/74/1078380174.db2.gz MZEDQWJCEGTPPK-QMMMGPOBSA-N 0 0 414.216 2.551 20 5 HFBDRN C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000794174912 1078380737 /nfs/dbraw/zinc/38/07/37/1078380737.db2.gz XIGDRXXGPUDSCD-SNVBAGLBSA-N 0 0 408.208 2.821 20 5 HFBDRN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000794204676 1078384430 /nfs/dbraw/zinc/38/44/30/1078384430.db2.gz DIOLTSYFMWGBQP-YJBOKZPZSA-N 0 0 401.394 2.933 20 5 HFBDRN Cc1c(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)cccc1N1C(=O)CNC1=O ZINC000794281820 1078400587 /nfs/dbraw/zinc/40/05/87/1078400587.db2.gz WJPJNNFBASLUHF-UHFFFAOYSA-N 0 0 404.329 2.690 20 5 HFBDRN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@]2(CCOC2)O1 ZINC000794318424 1078412079 /nfs/dbraw/zinc/41/20/79/1078412079.db2.gz ODPAQFBBQOVTRP-VFZGTOFNSA-N 0 0 403.204 2.516 20 5 HFBDRN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCO)Cc1cccnc1Cl ZINC000794334057 1078417518 /nfs/dbraw/zinc/41/75/18/1078417518.db2.gz BARKQLSIVGGEID-UHFFFAOYSA-N 0 0 404.854 2.878 20 5 HFBDRN Cc1c(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000804387410 1078446855 /nfs/dbraw/zinc/44/68/55/1078446855.db2.gz YWIRJWFXRKMQRF-AWEZNQCLSA-N 0 0 419.438 2.530 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000804390882 1078449220 /nfs/dbraw/zinc/44/92/20/1078449220.db2.gz HDGDUKPMAAJZJR-WFASDCNBSA-N 0 0 401.385 2.828 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804405213 1078456004 /nfs/dbraw/zinc/45/60/04/1078456004.db2.gz JBBYPXLNLVRYPQ-ZDUSSCGKSA-N 0 0 408.455 2.921 20 5 HFBDRN Cn1c2cc(NC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804404658 1078456225 /nfs/dbraw/zinc/45/62/25/1078456225.db2.gz VCZYPLABVNAIQO-ZDUSSCGKSA-N 0 0 419.482 2.844 20 5 HFBDRN Cc1csc([C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(F)(F)F)n1 ZINC001129452825 1078459202 /nfs/dbraw/zinc/45/92/02/1078459202.db2.gz TZBGJLNWEPROCI-LLVKDONJSA-N 0 0 423.394 2.797 20 5 HFBDRN CCCCCCNC(=O)[C@H]1CCCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000804398588 1078463268 /nfs/dbraw/zinc/46/32/68/1078463268.db2.gz LTTMNJZBKCBMNA-HNNXBMFYSA-N 0 0 406.483 2.998 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000804431800 1078476927 /nfs/dbraw/zinc/47/69/27/1078476927.db2.gz JSAKAIXAXGESGR-ZDUSSCGKSA-N 0 0 424.410 2.589 20 5 HFBDRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2cc(OC)ccc2[N+](=O)[O-])c1 ZINC001129768307 1078477165 /nfs/dbraw/zinc/47/71/65/1078477165.db2.gz QZVXEHYOURASEM-UHFFFAOYSA-N 0 0 412.851 2.980 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCc2c(F)c(F)cc(F)c21 ZINC001129776100 1078485205 /nfs/dbraw/zinc/48/52/05/1078485205.db2.gz WRNKXLSGRMIHMW-UHFFFAOYSA-N 0 0 407.304 2.899 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804454610 1078494246 /nfs/dbraw/zinc/49/42/46/1078494246.db2.gz SGVDSGUOBVFYJP-BETUJISGSA-N 0 0 408.455 2.919 20 5 HFBDRN COC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC001129503902 1078496017 /nfs/dbraw/zinc/49/60/17/1078496017.db2.gz PLAMIORQXOMUKB-ZDUSSCGKSA-N 0 0 403.460 2.895 20 5 HFBDRN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440382 1078504491 /nfs/dbraw/zinc/50/44/91/1078504491.db2.gz XHLCEIYPKREASH-WMZOPIPTSA-N 0 0 402.495 2.520 20 5 HFBDRN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000804441114 1078505322 /nfs/dbraw/zinc/50/53/22/1078505322.db2.gz BVJPJDSYRKKAOV-GFCCVEGCSA-N 0 0 404.442 2.943 20 5 HFBDRN Cn1c2cc(NCC[C@H]3CCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804441998 1078507021 /nfs/dbraw/zinc/50/70/21/1078507021.db2.gz YDQNWKRJJOXCJY-ZDUSSCGKSA-N 0 0 419.482 2.844 20 5 HFBDRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000804675501 1078511374 /nfs/dbraw/zinc/51/13/74/1078511374.db2.gz OJVBAMYSMKBCJZ-MRXNPFEDSA-N 0 0 421.450 2.646 20 5 HFBDRN COC(=O)[C@H](C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC001129815822 1078512794 /nfs/dbraw/zinc/51/27/94/1078512794.db2.gz IDQBRFYAJRJESQ-LLVKDONJSA-N 0 0 406.416 2.527 20 5 HFBDRN COC(=O)[C@@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC001129817279 1078514070 /nfs/dbraw/zinc/51/40/70/1078514070.db2.gz NZKMSWXDPMXLLR-AWEZNQCLSA-N 0 0 413.430 2.960 20 5 HFBDRN COc1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1OC(F)F ZINC001129496216 1078515951 /nfs/dbraw/zinc/51/59/51/1078515951.db2.gz XVUFBTAPCNZKDM-UHFFFAOYSA-N 0 0 408.361 2.562 20 5 HFBDRN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001129830590 1078524222 /nfs/dbraw/zinc/52/42/22/1078524222.db2.gz QQGQLVIDZJHZDO-GFCCVEGCSA-N 0 0 410.268 2.974 20 5 HFBDRN Cc1ccc([C@@H](O)[C@@H](C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000804481161 1078520561 /nfs/dbraw/zinc/52/05/61/1078520561.db2.gz VHBJPPJGEYWDQY-XIKOKIGWSA-N 0 0 405.838 2.525 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1Cl ZINC001129531445 1078523164 /nfs/dbraw/zinc/52/31/64/1078523164.db2.gz GHKYHDLLTUTALU-LBPRGKRZSA-N 0 0 413.858 2.922 20 5 HFBDRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804466199 1078528979 /nfs/dbraw/zinc/52/89/79/1078528979.db2.gz OPWDLDOQTPKICZ-HNNXBMFYSA-N 0 0 414.418 2.928 20 5 HFBDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804467030 1078529539 /nfs/dbraw/zinc/52/95/39/1078529539.db2.gz VXEXYSKWVMQSLX-GOSISDBHSA-N 0 0 421.413 2.839 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2COCc3ccccc32)ccc1[N+](=O)[O-] ZINC001129852859 1078534668 /nfs/dbraw/zinc/53/46/68/1078534668.db2.gz BAPIVGKNNNBRKL-QUCCMNQESA-N 0 0 409.442 2.896 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@](C)(CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804694981 1078536747 /nfs/dbraw/zinc/53/67/47/1078536747.db2.gz XZZKYOLGBFYPMJ-LJQANCHMSA-N 0 0 408.455 2.826 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CC[C@@](C)(CNC(=O)OC(C)(C)C)C3)cc2n(C)c1=O ZINC000804694986 1078536770 /nfs/dbraw/zinc/53/67/70/1078536770.db2.gz YCMNYXQSRSDHGL-FQEVSTJZSA-N 0 0 419.482 2.526 20 5 HFBDRN NC(=O)c1cnc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c(Cl)c1 ZINC001129879671 1078552194 /nfs/dbraw/zinc/55/21/94/1078552194.db2.gz OCWTYHVJLIDMKL-LBPRGKRZSA-N 0 0 420.706 2.915 20 5 HFBDRN O=C(Cn1ncc2ccccc2c1=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001129879668 1078552202 /nfs/dbraw/zinc/55/22/02/1078552202.db2.gz OCSFGFWDPPCFKE-INIZCTEOSA-N 0 0 424.310 2.864 20 5 HFBDRN Cc1n[nH]cc1C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 ZINC000804709684 1078549542 /nfs/dbraw/zinc/54/95/42/1078549542.db2.gz QDWGHRBOXLSQCG-UHFFFAOYSA-N 0 0 419.507 2.795 20 5 HFBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC001129882517 1078554306 /nfs/dbraw/zinc/55/43/06/1078554306.db2.gz KSUPRSJRWLPTJA-CYBMUJFWSA-N 0 0 405.264 2.567 20 5 HFBDRN O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCN(c2ccccc2F)CC1 ZINC000804719228 1078558961 /nfs/dbraw/zinc/55/89/61/1078558961.db2.gz LKDYQACSNQQLSX-HXUWFJFHSA-N 0 0 412.421 2.966 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000804523077 1078562142 /nfs/dbraw/zinc/56/21/42/1078562142.db2.gz KESLGEJMTJFCKK-CYBMUJFWSA-N 0 0 408.455 2.921 20 5 HFBDRN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804725017 1078563104 /nfs/dbraw/zinc/56/31/04/1078563104.db2.gz PTMJUFDSHMVFCR-UHFFFAOYSA-N 0 0 421.385 2.967 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(c1cc(-n3ccnc3)ncn1)CC2 ZINC000804702665 1078565374 /nfs/dbraw/zinc/56/53/74/1078565374.db2.gz CUEPZKDLXNHXAC-UHFFFAOYSA-N 0 0 401.224 2.896 20 5 HFBDRN CCc1nnc2ccc(N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)nn21 ZINC000804703507 1078567641 /nfs/dbraw/zinc/56/76/41/1078567641.db2.gz NYMJVKIZOYKOGW-UHFFFAOYSA-N 0 0 403.240 2.920 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000804552377 1078577657 /nfs/dbraw/zinc/57/76/57/1078577657.db2.gz MSSMACWJAYBEPK-OAHLLOKOSA-N 0 0 405.329 2.742 20 5 HFBDRN CC(=O)c1cc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1OC(C)C ZINC001129610405 1078580738 /nfs/dbraw/zinc/58/07/38/1078580738.db2.gz NWYRBQRWADQXDA-UHFFFAOYSA-N 0 0 412.446 2.942 20 5 HFBDRN CCN1CCN(C(=O)Cc2ccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2)CC1 ZINC000804537647 1078585348 /nfs/dbraw/zinc/58/53/48/1078585348.db2.gz AHCGNKJIRGBHKL-UHFFFAOYSA-N 0 0 413.434 2.953 20 5 HFBDRN COCCOc1cc(C)ccc1CNc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804543605 1078590930 /nfs/dbraw/zinc/59/09/30/1078590930.db2.gz XXOBBSOEUJAAGP-UHFFFAOYSA-N 0 0 400.435 2.731 20 5 HFBDRN CN(CC(=O)Nc1cccc(Cl)c1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804563481 1078597070 /nfs/dbraw/zinc/59/70/70/1078597070.db2.gz ZRGBBMOOMCIVRM-UHFFFAOYSA-N 0 0 403.826 2.514 20 5 HFBDRN COC(=O)c1cnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C(F)(F)F ZINC000804566772 1078603056 /nfs/dbraw/zinc/60/30/56/1078603056.db2.gz YNLACUGLNJXQPH-SNVBAGLBSA-N 0 0 411.340 2.881 20 5 HFBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000804792606 1078624555 /nfs/dbraw/zinc/62/45/55/1078624555.db2.gz XMVBJDRVVRKLNR-HNNXBMFYSA-N 0 0 408.304 2.842 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC2(CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000804590193 1078624975 /nfs/dbraw/zinc/62/49/75/1078624975.db2.gz PIGYQXJCOQEIRR-UHFFFAOYSA-N 0 0 406.483 2.897 20 5 HFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(c4ccc(S(=O)(=O)C(F)(F)F)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000804797652 1078630023 /nfs/dbraw/zinc/63/00/23/1078630023.db2.gz MUMSPTUWWFMONJ-NOORDTQPSA-N 0 0 406.382 2.748 20 5 HFBDRN Cc1ccccc1[C@@H](O)C1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000804809778 1078638009 /nfs/dbraw/zinc/63/80/09/1078638009.db2.gz AHPAYMAHLFZZQZ-IBGZPJMESA-N 0 0 405.476 2.501 20 5 HFBDRN C[C@H]1C[C@H](N2CCOCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804809109 1078638481 /nfs/dbraw/zinc/63/84/81/1078638481.db2.gz OQWLZRLLIICHRF-JQWIXIFHSA-N 0 0 404.345 2.821 20 5 HFBDRN 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CNC(=O)CC(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000789094337 1077409826 /nfs/dbraw/zinc/40/98/26/1077409826.db2.gz ASAJBQMSTAJSCR-KRWDZBQOSA-N 0 0 405.794 2.607 20 5 HFBDRN Cc1c(NC(=O)[C@@H](C)OC(=O)c2cnnn2-c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000789099842 1077410533 /nfs/dbraw/zinc/41/05/33/1077410533.db2.gz NPIILIZATYFRQU-GFCCVEGCSA-N 0 0 413.365 2.807 20 5 HFBDRN CCc1ccc(C(=O)O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000747013265 1077412106 /nfs/dbraw/zinc/41/21/06/1077412106.db2.gz ZLVLYAAQOBKHCN-CJNGLKHVSA-N 0 0 414.414 2.659 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] ZINC000747013207 1077413534 /nfs/dbraw/zinc/41/35/34/1077413534.db2.gz VUQDVEMRUHEZJL-UHFFFAOYSA-N 0 0 415.421 2.802 20 5 HFBDRN C[C@H](O)[C@](C)(CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)Cc1ccccc1 ZINC000791422459 1077415074 /nfs/dbraw/zinc/41/50/74/1077415074.db2.gz PAGUZOHZFKDVBX-GNSUPJDDSA-N 0 0 411.458 2.834 20 5 HFBDRN 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/nfs/dbraw/zinc/58/77/14/1077587714.db2.gz ZGTXMBFABOFHJC-AWEZNQCLSA-N 0 0 410.423 2.705 20 5 HFBDRN Cc1nn(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000789485300 1077590148 /nfs/dbraw/zinc/59/01/48/1077590148.db2.gz IJZSYWAWIUROIQ-ZFWWWQNUSA-N 0 0 422.461 2.885 20 5 HFBDRN COC(=O)COc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000789513083 1077605330 /nfs/dbraw/zinc/60/53/30/1077605330.db2.gz DZPOWAZMJYHDSQ-AWEZNQCLSA-N 0 0 423.466 2.588 20 5 HFBDRN COc1ccc(S(C)(=O)=O)cc1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000789515599 1077608319 /nfs/dbraw/zinc/60/83/19/1077608319.db2.gz FPRGUHMQWADNDV-UHFFFAOYSA-N 0 0 404.400 2.845 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000746821272 1077609112 /nfs/dbraw/zinc/60/91/12/1077609112.db2.gz GYOIOPDYZPMVCK-OAHLLOKOSA-N 0 0 406.483 2.746 20 5 HFBDRN C[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1ccnn1C ZINC000791920624 1077611641 /nfs/dbraw/zinc/61/16/41/1077611641.db2.gz BTPHZSYUGNHSOR-QMMMGPOBSA-N 0 0 401.160 2.851 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nnn(C2CC2)c1C(F)(F)F ZINC000791979707 1077620037 /nfs/dbraw/zinc/62/00/37/1077620037.db2.gz STXNKQLYMBBJEK-UHFFFAOYSA-N 0 0 401.257 2.805 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000789558363 1077677378 /nfs/dbraw/zinc/67/73/78/1077677378.db2.gz OARPGBNPTLZVSD-SECBINFHSA-N 0 0 423.223 2.577 20 5 HFBDRN COc1ccc([C@@H]2[C@@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC(=O)N2C)cc1 ZINC000792118648 1077703892 /nfs/dbraw/zinc/70/38/92/1077703892.db2.gz GEHNPQKTCSDOBT-HNAYVOBHSA-N 0 0 400.387 2.737 20 5 HFBDRN COc1ccc(OC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000792120323 1077727895 /nfs/dbraw/zinc/72/78/95/1077727895.db2.gz FLCZPQBRBVXCGB-AWEZNQCLSA-N 0 0 420.443 2.610 20 5 HFBDRN CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)CC1=O ZINC000792119916 1077727917 /nfs/dbraw/zinc/72/79/17/1077727917.db2.gz WQUBBCZSQGTPSK-CYBMUJFWSA-N 0 0 400.387 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CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001130613661 1079640939 /nfs/dbraw/zinc/64/09/39/1079640939.db2.gz HGPKPSAKRDORHM-CYBMUJFWSA-N 0 0 415.512 2.555 20 5 HFBDRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC001130624874 1079669923 /nfs/dbraw/zinc/66/99/23/1079669923.db2.gz QAJLZCNSVBWAFT-CYBMUJFWSA-N 0 0 406.236 2.863 20 5 HFBDRN CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000806610101 1079853111 /nfs/dbraw/zinc/85/31/11/1079853111.db2.gz URCCQKLRTMKQIH-CYBMUJFWSA-N 0 0 414.553 2.674 20 5 HFBDRN CNC(=O)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)(F)F)cc1 ZINC001130703050 1079865632 /nfs/dbraw/zinc/86/56/32/1079865632.db2.gz BEKLRROHGKMXLQ-HNNXBMFYSA-N 0 0 423.391 2.877 20 5 HFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001130746199 1080012547 /nfs/dbraw/zinc/01/25/47/1080012547.db2.gz DCTZFBCHMHWKMH-OCCSQVGLSA-N 0 0 416.400 2.729 20 5 HFBDRN CO[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130776278 1080100777 /nfs/dbraw/zinc/10/07/77/1080100777.db2.gz RMYOFQDGDXRBJG-CHWSQXEVSA-N 0 0 404.204 2.887 20 5 HFBDRN CC(=O)NCc1ccc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])cc1 ZINC001130822394 1080202107 /nfs/dbraw/zinc/20/21/07/1080202107.db2.gz HGOQKESSDUOYJW-UHFFFAOYSA-N 0 0 406.236 2.923 20 5 HFBDRN CC(=O)NCc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001130822733 1080203365 /nfs/dbraw/zinc/20/33/65/1080203365.db2.gz KWGLHFMUECNJOA-GFCCVEGCSA-N 0 0 405.838 2.968 20 5 HFBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CCc2ccccc21 ZINC001130854156 1080301417 /nfs/dbraw/zinc/30/14/17/1080301417.db2.gz GIOVIABJMDQELQ-UHFFFAOYSA-N 0 0 402.472 2.974 20 5 HFBDRN COC[C@H](NC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC001130887683 1080405946 /nfs/dbraw/zinc/40/59/46/1080405946.db2.gz SZDGMYUUMFQSCP-AWEZNQCLSA-N 0 0 401.257 2.837 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000807288730 1080454100 /nfs/dbraw/zinc/45/41/00/1080454100.db2.gz VMXBLJWHTXBLIC-UHFFFAOYSA-N 0 0 419.394 2.751 20 5 HFBDRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001130916855 1080540323 /nfs/dbraw/zinc/54/03/23/1080540323.db2.gz OONZBHRSCJDUIE-CYBMUJFWSA-N 0 0 413.356 2.795 20 5 HFBDRN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130959751 1080637412 /nfs/dbraw/zinc/63/74/12/1080637412.db2.gz LVECCKLKICUISB-INIZCTEOSA-N 0 0 406.464 2.676 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCCc3cc[nH]c(=O)c32)ccc1[N+](=O)[O-] ZINC001130973973 1080724075 /nfs/dbraw/zinc/72/40/75/1080724075.db2.gz QZAKJBAMCAQDKX-KRWDZBQOSA-N 0 0 410.430 2.588 20 5 HFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001130986777 1080815531 /nfs/dbraw/zinc/81/55/31/1080815531.db2.gz LLKHOUCROVDTJX-FQEVSTJZSA-N 0 0 419.441 2.695 20 5 HFBDRN COc1cc2c(cc1C[NH2+][C@@H](Cc1c[nH]c3ccc([N+](=O)[O-])cc13)C(=O)[O-])OCO2 ZINC000426721855 1126082473 /nfs/dbraw/zinc/08/24/73/1126082473.db2.gz DLJJTDZNDGGLJW-INIZCTEOSA-N 0 0 413.386 2.599 20 5 HFBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000426778209 1126090087 /nfs/dbraw/zinc/09/00/87/1126090087.db2.gz VOSQUPHQWRJUPP-AWEZNQCLSA-N 0 0 423.219 2.872 20 5 HFBDRN COc1ccc(-c2ccc(C[NH2+][C@H](Cn3cc(Cl)cn3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001321114528 1126171520 /nfs/dbraw/zinc/17/15/20/1126171520.db2.gz VGHLZHHNHNUVDB-OAHLLOKOSA-N 0 0 420.809 2.956 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2CN1Cc1ccncc1 ZINC001164855636 720810111 /nfs/dbraw/zinc/81/01/11/720810111.db2.gz XNJQTDQMCBUXCC-STQMWFEESA-N 0 0 423.807 2.678 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@H]2CCCO[C@H]12 ZINC001164811130 721537725 /nfs/dbraw/zinc/53/77/25/721537725.db2.gz YUICUMVZXKRXPH-VWPQPMDRSA-N 0 0 420.473 2.801 20 5 HFBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)C2 ZINC001165008186 721716515 /nfs/dbraw/zinc/71/65/15/721716515.db2.gz CFGJHZYIVNYVHT-UHFFFAOYSA-N 0 0 422.493 2.894 20 5 HFBDRN Cc1cnc2n1CCN(C)C21CCN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)CC1 ZINC001164919843 721820404 /nfs/dbraw/zinc/82/04/04/721820404.db2.gz XDKHKPDEDFIVRW-UHFFFAOYSA-N 0 0 419.489 2.998 20 5 HFBDRN Cn1ccc(CN2CCOCC23CCN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)n1 ZINC001164933006 721904723 /nfs/dbraw/zinc/90/47/23/721904723.db2.gz FPSFKDYNJUIWLY-UHFFFAOYSA-N 0 0 422.489 2.748 20 5 HFBDRN Cn1ccc(CN2CCOCC23CCN(c2nc4ccccc4cc2[N+](=O)[O-])CC3)n1 ZINC001164936857 721906603 /nfs/dbraw/zinc/90/66/03/721906603.db2.gz ZWCYRYLDOWSGGW-UHFFFAOYSA-N 0 0 422.489 2.748 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164940570 721941886 /nfs/dbraw/zinc/94/18/86/721941886.db2.gz BQJZALIJBGKXDA-JKSUJKDBSA-N 0 0 407.858 2.646 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165005052 722261926 /nfs/dbraw/zinc/26/19/26/722261926.db2.gz ULKNTLRAENGODQ-LJQANCHMSA-N 0 0 419.844 2.710 20 5 HFBDRN O=C1N(CN2CCC(Oc3ccc(F)nc3)CC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000790466612 1078044947 /nfs/dbraw/zinc/04/49/47/1078044947.db2.gz WPUAAYOIWIJYHA-UHFFFAOYSA-N 0 0 415.425 2.872 20 5 HFBDRN Cc1noc(C2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)CC2)n1 ZINC000793001254 1078045205 /nfs/dbraw/zinc/04/52/05/1078045205.db2.gz IIVPNIUUHMQKAY-UHFFFAOYSA-N 0 0 415.450 2.928 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000790548028 1078053742 /nfs/dbraw/zinc/05/37/42/1078053742.db2.gz UABREZWNWHYZGT-MRXNPFEDSA-N 0 0 405.813 2.847 20 5 HFBDRN CN(C)C(=O)c1cccc(CCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790556610 1078055377 /nfs/dbraw/zinc/05/53/77/1078055377.db2.gz UOKMDXLWIVHZDT-UHFFFAOYSA-N 0 0 407.829 2.991 20 5 HFBDRN Cc1cc2ncc(C(=O)O[C@H](C)C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(C)n2n1 ZINC000746926377 1078062598 /nfs/dbraw/zinc/06/25/98/1078062598.db2.gz YDMIRRIHWLJQPF-LLVKDONJSA-N 0 0 401.354 2.577 20 5 HFBDRN Cc1c(CNC(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000790558373 1078055917 /nfs/dbraw/zinc/05/59/17/1078055917.db2.gz IUIURENOFAIIEN-RDJZCZTQSA-N 0 0 405.476 2.999 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCN1C(=O)COc2ccccc21 ZINC000790562880 1078056723 /nfs/dbraw/zinc/05/67/23/1078056723.db2.gz YOHLVBLZYBGVOS-UHFFFAOYSA-N 0 0 421.812 2.862 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790569754 1078057819 /nfs/dbraw/zinc/05/78/19/1078057819.db2.gz GCHQQWIXPYOUQN-INIZCTEOSA-N 0 0 423.803 2.986 20 5 HFBDRN CC(C)(C(=O)OCc1ccc([N+](=O)[O-])cc1Br)S(=O)(=O)C1CC1 ZINC000790545598 1078060409 /nfs/dbraw/zinc/06/04/09/1078060409.db2.gz AIMNQZSWTJGSBV-UHFFFAOYSA-N 0 0 406.254 2.756 20 5 HFBDRN O=C(Nc1ccccc1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000793088586 1078065626 /nfs/dbraw/zinc/06/56/26/1078065626.db2.gz FUPFKJRDSGVDNY-UHFFFAOYSA-N 0 0 404.220 2.881 20 5 HFBDRN O=C(NCCCn1ccnc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790609823 1078074988 /nfs/dbraw/zinc/07/49/88/1078074988.db2.gz PTTUSDUNKRUZNT-UHFFFAOYSA-N 0 0 408.256 2.712 20 5 HFBDRN CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H](COCc1ccccc1)C(=O)OC ZINC001170142185 1078090588 /nfs/dbraw/zinc/09/05/88/1078090588.db2.gz RHAMZFNXHACUGE-INIZCTEOSA-N 0 0 402.403 2.942 20 5 HFBDRN COc1cc(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc([N+](=O)[O-])c1C ZINC000790654749 1078094715 /nfs/dbraw/zinc/09/47/15/1078094715.db2.gz BIRLJTHOKXMKTF-CYBMUJFWSA-N 0 0 401.379 2.542 20 5 HFBDRN COc1cc(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000793183565 1078096114 /nfs/dbraw/zinc/09/61/14/1078096114.db2.gz UXHUZYWAJCJXIT-MRXNPFEDSA-N 0 0 412.393 2.874 20 5 HFBDRN Cc1ccc(S(=O)(=O)N(C)CC(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000746944729 1078110889 /nfs/dbraw/zinc/11/08/89/1078110889.db2.gz QMDJILHNMNINEC-UHFFFAOYSA-N 0 0 410.423 2.715 20 5 HFBDRN O=C(O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cnc(OCC2CC2)cn1 ZINC000793277614 1078117093 /nfs/dbraw/zinc/11/70/93/1078117093.db2.gz PNDRNMQAGWARDX-CQSZACIVSA-N 0 0 402.382 2.748 20 5 HFBDRN COC(=O)c1cnc(N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000790770681 1078129231 /nfs/dbraw/zinc/12/92/31/1078129231.db2.gz IELNVOZXNLHVGU-QEJZJMRPSA-N 0 0 420.466 2.906 20 5 HFBDRN COC(=O)COc1ccc(CNc2ccc(F)c(N3CCOC3=O)c2)cc1[N+](=O)[O-] ZINC000793318825 1078135567 /nfs/dbraw/zinc/13/55/67/1078135567.db2.gz IXEQGCUXTRBZIJ-UHFFFAOYSA-N 0 0 419.365 2.854 20 5 HFBDRN CCn1cc([C@H](O)CN(Cc2ccccc2)c2ccc(C(=O)NC)cc2[N+](=O)[O-])cn1 ZINC000790792144 1078135890 /nfs/dbraw/zinc/13/58/90/1078135890.db2.gz VATGQSOXNKKSMO-OAQYLSRUSA-N 0 0 423.473 2.911 20 5 HFBDRN COc1c(Br)c([N+](=O)[O-])c(NC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000790798273 1078138037 /nfs/dbraw/zinc/13/80/37/1078138037.db2.gz CUIGDHMELXLCCJ-ZCFIWIBFSA-N 0 0 404.095 2.609 20 5 HFBDRN CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@H](C)S(=O)[C@@H](C)C2)cc1Br ZINC000790801101 1078139458 /nfs/dbraw/zinc/13/94/58/1078139458.db2.gz VXWAEDYQNDKOOE-UWVGGRQHSA-N 0 0 419.297 2.880 20 5 HFBDRN Cc1cccc2nc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cn21 ZINC000790842798 1078145182 /nfs/dbraw/zinc/14/51/82/1078145182.db2.gz HSKIEOZNYFCENP-UHFFFAOYSA-N 0 0 419.419 2.554 20 5 HFBDRN COC(=O)c1sccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790845341 1078145984 /nfs/dbraw/zinc/14/59/84/1078145984.db2.gz BQUWEQRHAKFSEJ-UHFFFAOYSA-N 0 0 416.389 2.736 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC000790847754 1078147361 /nfs/dbraw/zinc/14/73/61/1078147361.db2.gz DMALIFIYKANDQK-MRXNPFEDSA-N 0 0 418.393 2.940 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCC3(CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000790852125 1078149791 /nfs/dbraw/zinc/14/97/91/1078149791.db2.gz ISNBCRDVXBSZGI-UHFFFAOYSA-N 0 0 413.452 2.701 20 5 HFBDRN COC(=O)Nc1ccc(CCNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000790851721 1078150022 /nfs/dbraw/zinc/15/00/22/1078150022.db2.gz IFAYDRMCWXXDRL-UHFFFAOYSA-N 0 0 407.448 2.911 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)Cc2cccc(O)c2)c(C)c1[N+](=O)[O-] ZINC000790853864 1078151165 /nfs/dbraw/zinc/15/11/65/1078151165.db2.gz WQTZYDKUFXVQQB-SNVBAGLBSA-N 0 0 409.420 2.735 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000790855807 1078152172 /nfs/dbraw/zinc/15/21/72/1078152172.db2.gz DBVYWBQXSFKCGW-ABAIWWIYSA-N 0 0 423.451 2.588 20 5 HFBDRN Cc1nn(C)cc1[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790857268 1078152602 /nfs/dbraw/zinc/15/26/02/1078152602.db2.gz NEDKLSUVVLNLDO-CQSZACIVSA-N 0 0 423.451 2.688 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc3ccc(=O)oc3c2)c(C)c1[N+](=O)[O-] ZINC000790820301 1078154521 /nfs/dbraw/zinc/15/45/21/1078154521.db2.gz YSRSVRUMBJEREW-UHFFFAOYSA-N 0 0 420.355 2.994 20 5 HFBDRN CC(C)c1nnc(CCC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)o1 ZINC000747113278 1078156978 /nfs/dbraw/zinc/15/69/78/1078156978.db2.gz TUWIURJOZNIRCU-UHFFFAOYSA-N 0 0 403.439 2.889 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2COc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000790824941 1078157797 /nfs/dbraw/zinc/15/77/97/1078157797.db2.gz ZCRKNXQLWZRYGA-CYBMUJFWSA-N 0 0 421.431 2.649 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCc2cccc(N3CCOC3=O)c2)c1[N+](=O)[O-] ZINC000790830586 1078159480 /nfs/dbraw/zinc/15/94/80/1078159480.db2.gz RTDOFFRBMJWKHC-UHFFFAOYSA-N 0 0 405.432 2.647 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000790867294 1078164368 /nfs/dbraw/zinc/16/43/68/1078164368.db2.gz QOPAYWNEJQPBFB-QGZVFWFLSA-N 0 0 417.487 2.681 20 5 HFBDRN Cc1cnc([C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790871087 1078167211 /nfs/dbraw/zinc/16/72/11/1078167211.db2.gz MMCMZZDWKPJYMH-QMMMGPOBSA-N 0 0 414.465 2.967 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCC[C@H]2CCCCO2)c(C)c1[N+](=O)[O-] ZINC000790870721 1078167529 /nfs/dbraw/zinc/16/75/29/1078167529.db2.gz GQKLKHOBZXEYSV-CYBMUJFWSA-N 0 0 401.441 2.747 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](OCC3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000790873623 1078167563 /nfs/dbraw/zinc/16/75/63/1078167563.db2.gz GMKXUEZBJAHWGA-CQSZACIVSA-N 0 0 413.452 2.700 20 5 HFBDRN CCOC(=O)N1CCC([C@@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000790876473 1078168497 /nfs/dbraw/zinc/16/84/97/1078168497.db2.gz ZQOKTDAULWUOER-CQSZACIVSA-N 0 0 413.496 2.747 20 5 HFBDRN COc1ccc(OS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1[N+](=O)[O-] ZINC000790895643 1078175154 /nfs/dbraw/zinc/17/51/54/1078175154.db2.gz JJBQVFIVGBBGEY-UHFFFAOYSA-N 0 0 406.416 2.670 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000790896080 1078176088 /nfs/dbraw/zinc/17/60/88/1078176088.db2.gz YPHBMNGWESVPCD-BLLLJJGKSA-N 0 0 412.801 2.874 20 5 HFBDRN CCN(CC)C(=O)c1ccc(S(=O)(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000790897687 1078176114 /nfs/dbraw/zinc/17/61/14/1078176114.db2.gz CMRSGWHUFSWVGB-UHFFFAOYSA-N 0 0 408.432 2.853 20 5 HFBDRN COC(=O)c1ccc(S(=O)(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000790898367 1078177036 /nfs/dbraw/zinc/17/70/36/1078177036.db2.gz LVLFGYFUQZRATP-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN COCCOc1ccc(F)cc1S(=O)(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 ZINC000790898072 1078177082 /nfs/dbraw/zinc/17/70/82/1078177082.db2.gz JOIXCIOMYNACMM-UHFFFAOYSA-N 0 0 401.368 2.535 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790858876 1078177984 /nfs/dbraw/zinc/17/79/84/1078177984.db2.gz ZQFUYCGDVCKNPS-CYBMUJFWSA-N 0 0 401.441 2.555 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000790864346 1078181501 /nfs/dbraw/zinc/18/15/01/1078181501.db2.gz YPPRMKVBEBWTBE-ROUUACIJSA-N 0 0 420.487 2.725 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NCC(=O)c1ccccc1 ZINC000747124402 1078186231 /nfs/dbraw/zinc/18/62/31/1078186231.db2.gz AXMQLTFFDZISAI-UHFFFAOYSA-N 0 0 410.304 2.770 20 5 HFBDRN CCOc1cc(N2CCC(OC(=O)[C@]3(C)CCN(C(C)=O)C3)CC2)ccc1[N+](=O)[O-] ZINC000747124330 1078186788 /nfs/dbraw/zinc/18/67/88/1078186788.db2.gz PWPXBZHICHVAQX-OAQYLSRUSA-N 0 0 419.478 2.764 20 5 HFBDRN O=[N+]([O-])c1cnn(CCS(=O)(=O)Cc2csc(CCc3ccccc3)n2)c1 ZINC000772833665 1078202823 /nfs/dbraw/zinc/20/28/23/1078202823.db2.gz PZYLIBGLAGJGHZ-UHFFFAOYSA-N 0 0 406.489 2.648 20 5 HFBDRN CC1(C)CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@@H](C(F)(F)F)O1 ZINC000793673638 1078249791 /nfs/dbraw/zinc/24/97/91/1078249791.db2.gz FQDPRZMTQATIFO-AWEZNQCLSA-N 0 0 402.373 2.836 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cn3c(=O)oc4cccc([N+](=O)[O-])c43)CC[C@@H]21 ZINC000793708366 1078276940 /nfs/dbraw/zinc/27/69/40/1078276940.db2.gz OXULXXKCNYWURA-KBPBESRZSA-N 0 0 418.450 2.792 20 5 HFBDRN Cc1ccc(OC[C@H](C)NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000793790151 1078297391 /nfs/dbraw/zinc/29/73/91/1078297391.db2.gz MDCPQQOUASPUIV-AWEZNQCLSA-N 0 0 419.865 2.799 20 5 HFBDRN COc1ccc(C[C@](C)(O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000793903930 1078333758 /nfs/dbraw/zinc/33/37/58/1078333758.db2.gz AHNLCPGGTWSUGE-AKERNLMBSA-N 0 0 400.431 2.735 20 5 HFBDRN CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ncc2Br)no1 ZINC000794170595 1078380166 /nfs/dbraw/zinc/38/01/66/1078380166.db2.gz MZEDQWJCEGTPPK-MRVPVSSYSA-N 0 0 414.216 2.551 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H](CO)c1ccccc1OC(F)(F)F ZINC000794263302 1078395430 /nfs/dbraw/zinc/39/54/30/1078395430.db2.gz JDZDNAARBXTZQD-AWEZNQCLSA-N 0 0 424.335 2.693 20 5 HFBDRN Cc1ccn2cnnc2c1NC(=O)c1ccc(I)c([N+](=O)[O-])c1 ZINC001129428851 1078442509 /nfs/dbraw/zinc/44/25/09/1078442509.db2.gz RBZZRZQLNLRSRZ-UHFFFAOYSA-N 0 0 423.170 2.803 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CCC[C@H](CNC(=O)OC(C)(C)C)C3)cc2n(C)c1=O ZINC000804377351 1078453394 /nfs/dbraw/zinc/45/33/94/1078453394.db2.gz WSAKQFAPAQRPCS-CYBMUJFWSA-N 0 0 419.482 2.526 20 5 HFBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC(=O)Nc2cc(C(=O)OC)ccc21 ZINC001129403994 1078454908 /nfs/dbraw/zinc/45/49/08/1078454908.db2.gz HCYOJAGSXGPIML-CQSZACIVSA-N 0 0 411.414 2.935 20 5 HFBDRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804378589 1078455320 /nfs/dbraw/zinc/45/53/20/1078455320.db2.gz XHZBXXXROIZTKC-UHFFFAOYSA-N 0 0 409.420 2.812 20 5 HFBDRN Cc1csc([C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C(F)(F)F)n1 ZINC001129452214 1078458677 /nfs/dbraw/zinc/45/86/77/1078458677.db2.gz JGLQOOALXGGNMA-LBPRGKRZSA-N 0 0 412.353 2.974 20 5 HFBDRN Cc1nc2ccc(N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)nn2n1 ZINC000804424484 1078472006 /nfs/dbraw/zinc/47/20/06/1078472006.db2.gz GGFSZHKHAPLZHL-UHFFFAOYSA-N 0 0 407.356 2.686 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000804430252 1078474993 /nfs/dbraw/zinc/47/49/93/1078474993.db2.gz ZPBJMCKMTVTCEV-UHFFFAOYSA-N 0 0 402.495 2.614 20 5 HFBDRN COCc1nc(CNC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)cs1 ZINC001129478851 1078476923 /nfs/dbraw/zinc/47/69/23/1078476923.db2.gz YXXNQTQGMXKDSS-UHFFFAOYSA-N 0 0 401.448 2.681 20 5 HFBDRN O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000804416108 1078485195 /nfs/dbraw/zinc/48/51/95/1078485195.db2.gz QIAIJLTVTWCFJC-OAQYLSRUSA-N 0 0 407.426 2.519 20 5 HFBDRN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804657481 1078488677 /nfs/dbraw/zinc/48/86/77/1078488677.db2.gz QKVCJWAKWWOYEQ-OAHLLOKOSA-N 0 0 408.411 2.515 20 5 HFBDRN Cn1c2cc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804458442 1078497799 /nfs/dbraw/zinc/49/77/99/1078497799.db2.gz ITQGNPQGRSBTNW-GFCCVEGCSA-N 0 0 405.455 2.597 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)n1 ZINC000804668372 1078499063 /nfs/dbraw/zinc/49/90/63/1078499063.db2.gz PRVNJQRJICLLGP-LSDHHAIUSA-N 0 0 407.471 2.674 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)c1 ZINC000804461934 1078502990 /nfs/dbraw/zinc/50/29/90/1078502990.db2.gz YQTMZMWZPOWRDM-UHFFFAOYSA-N 0 0 423.878 2.614 20 5 HFBDRN Cc1ccc(Oc2cccc(C(=O)NCC(N)=O)c2)c([N+](=O)[O-])c1Br ZINC000804461773 1078503378 /nfs/dbraw/zinc/50/33/78/1078503378.db2.gz SCZSCBKPXMXSTI-UHFFFAOYSA-N 0 0 408.208 2.673 20 5 HFBDRN Nc1cc(N2CCC(CNC(=O)OCc3ccccc3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000804671203 1078505160 /nfs/dbraw/zinc/50/51/60/1078505160.db2.gz GODKMYNQESDZQN-UHFFFAOYSA-N 0 0 414.462 2.812 20 5 HFBDRN CC[C@H](C)c1nc(C)c(CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(C)n1 ZINC001129495904 1078515507 /nfs/dbraw/zinc/51/55/07/1078515507.db2.gz QLUHHTFJQFLKAC-AWEZNQCLSA-N 0 0 412.494 2.801 20 5 HFBDRN CC1(C)CCc2nc(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)sc2C1 ZINC001129821204 1078516246 /nfs/dbraw/zinc/51/62/46/1078516246.db2.gz NADVNRYTJZPIJA-UHFFFAOYSA-N 0 0 416.459 2.930 20 5 HFBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001129830525 1078524217 /nfs/dbraw/zinc/52/42/17/1078524217.db2.gz PESNVVPVDQDWEW-CQSZACIVSA-N 0 0 415.425 2.537 20 5 HFBDRN C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001129828430 1078522630 /nfs/dbraw/zinc/52/26/30/1078522630.db2.gz JMCCFYWPMGRGAN-MRXNPFEDSA-N 0 0 406.446 2.522 20 5 HFBDRN Nc1ccc([N+](=O)[O-])c(NCC(=O)Nc2ccc(I)cc2)c1 ZINC000804701007 1078527486 /nfs/dbraw/zinc/52/74/86/1078527486.db2.gz BFPFGUIWYCKLKB-UHFFFAOYSA-N 0 0 412.187 2.832 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)n1 ZINC000804693426 1078532400 /nfs/dbraw/zinc/53/24/00/1078532400.db2.gz GCPALXYLWOPKIL-NSHDSACASA-N 0 0 404.354 2.529 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@H]2CC(c3ccc(OC)cc3)=NO2)c1[N+](=O)[O-] ZINC000804693993 1078534258 /nfs/dbraw/zinc/53/42/58/1078534258.db2.gz KUQQPSUQGOODAC-CQSZACIVSA-N 0 0 400.391 2.699 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1ccc(CSC)cc1 ZINC000804701261 1078543526 /nfs/dbraw/zinc/54/35/26/1078543526.db2.gz DPLVERRWHLJDIU-UHFFFAOYSA-N 0 0 404.444 2.974 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000804695256 1078536429 /nfs/dbraw/zinc/53/64/29/1078536429.db2.gz FNEVSNLNICVWOP-UHFFFAOYSA-N 0 0 418.790 2.686 20 5 HFBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129567517 1078561263 /nfs/dbraw/zinc/56/12/63/1078561263.db2.gz RTQGMBOXNOBXHB-VLIAUNLRSA-N 0 0 412.421 2.964 20 5 HFBDRN Nc1ccc(NCC(=O)Nc2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000804703137 1078568508 /nfs/dbraw/zinc/56/85/08/1078568508.db2.gz STCLHWZJWPDGEV-UHFFFAOYSA-N 0 0 412.187 2.832 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(c1nnnn1-c1ccccc1)CC2 ZINC000804703731 1078570939 /nfs/dbraw/zinc/57/09/39/1078570939.db2.gz WYIXCDUACKRDFR-UHFFFAOYSA-N 0 0 401.224 2.896 20 5 HFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000804705459 1078571379 /nfs/dbraw/zinc/57/13/79/1078571379.db2.gz LYQYPCKVVFHIBG-KGLIPLIRSA-N 0 0 424.306 2.797 20 5 HFBDRN Cc1ncccc1NC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001129609742 1078580056 /nfs/dbraw/zinc/58/00/56/1078580056.db2.gz AAYYXUZEWSLGAR-NWDGAFQWSA-N 0 0 406.826 2.862 20 5 HFBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)C1(S(C)(=O)=O)CC1 ZINC000804543732 1078590859 /nfs/dbraw/zinc/59/08/59/1078590859.db2.gz XAMPSKUOYJMFQS-CQSZACIVSA-N 0 0 409.508 2.527 20 5 HFBDRN CCc1ccc([C@H](O)CNc2ccc(C(=O)N[C@@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000804775120 1078601354 /nfs/dbraw/zinc/60/13/54/1078601354.db2.gz CAZCYTQGBMPGOT-ORAYPTAESA-N 0 0 415.446 2.594 20 5 HFBDRN C[C@@H](NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC001129619232 1078595847 /nfs/dbraw/zinc/59/58/47/1078595847.db2.gz XLRTVQCBXNDMRY-CABCVRRESA-N 0 0 401.488 2.939 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)NC[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC001129623239 1078598023 /nfs/dbraw/zinc/59/80/23/1078598023.db2.gz PICYYRZAORXDLC-LBPRGKRZSA-N 0 0 405.480 2.810 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000804567433 1078601833 /nfs/dbraw/zinc/60/18/33/1078601833.db2.gz NAXNWGCVUROCGU-OLZOCXBDSA-N 0 0 408.455 2.824 20 5 HFBDRN O=C1c2ccccc2C(=O)N1CCOCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804771914 1078600350 /nfs/dbraw/zinc/60/03/50/1078600350.db2.gz SPOJYUKOVPXXQZ-UHFFFAOYSA-N 0 0 417.399 2.908 20 5 HFBDRN O=C1c2ccccc2C(=O)N1CCOCCSc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804771846 1078600358 /nfs/dbraw/zinc/60/03/58/1078600358.db2.gz QJGGCTMQISINKE-UHFFFAOYSA-N 0 0 417.399 2.908 20 5 HFBDRN CN(Cc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000804777815 1078603343 /nfs/dbraw/zinc/60/33/43/1078603343.db2.gz LGCVSHIZWAMOCX-UHFFFAOYSA-N 0 0 419.381 2.820 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000804590423 1078624999 /nfs/dbraw/zinc/62/49/99/1078624999.db2.gz HESGQQWUIRDHTD-CHWSQXEVSA-N 0 0 408.455 2.919 20 5 HFBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC001129648715 1078638138 /nfs/dbraw/zinc/63/81/38/1078638138.db2.gz XNVCMBXBTUDRML-QZTJIDSGSA-N 0 0 424.461 2.532 20 5 HFBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001129644934 1078634782 /nfs/dbraw/zinc/63/47/82/1078634782.db2.gz NCHXFGNTDYBCSE-ZDUSSCGKSA-N 0 0 411.480 2.682 20 5 HFBDRN Cn1c2cc(NC[C@@H](NC(=O)OC(C)(C)C)C3CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804585946 1078642193 /nfs/dbraw/zinc/64/21/93/1078642193.db2.gz KGJFATYLXBAAQK-CYBMUJFWSA-N 0 0 405.455 2.500 20 5 HFBDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000804600226 1078642772 /nfs/dbraw/zinc/64/27/72/1078642772.db2.gz YDHPTDRUTDJFJA-NWDGAFQWSA-N 0 0 403.439 2.983 20 5 HFBDRN O=C1OCCN1c1cc([N+](=O)[O-])ccc1NCCCN1C(=O)c2ccccc2C1=O ZINC000804816641 1078658596 /nfs/dbraw/zinc/65/85/96/1078658596.db2.gz LDPRXCVNIPQTKR-UHFFFAOYSA-N 0 0 410.386 2.650 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)n1 ZINC000804617719 1078668063 /nfs/dbraw/zinc/66/80/63/1078668063.db2.gz YDCBDMUJRGIFSQ-IBGZPJMESA-N 0 0 406.439 2.614 20 5 HFBDRN COc1cc(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000804834365 1078675455 /nfs/dbraw/zinc/67/54/55/1078675455.db2.gz HNAJKCSYQSKGKQ-CQSZACIVSA-N 0 0 424.473 2.874 20 5 HFBDRN CSc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804632446 1078675875 /nfs/dbraw/zinc/67/58/75/1078675875.db2.gz BCQWAXJRTDHDSY-HUUCEWRRSA-N 0 0 423.491 2.827 20 5 HFBDRN COC[C@@]1(CNc2ccc([N+](=O)[O-])c3nonc32)CCCN1C(=O)OC(C)(C)C ZINC000804838267 1078679425 /nfs/dbraw/zinc/67/94/25/1078679425.db2.gz VKAAMBFZSFYYAH-SFHVURJKSA-N 0 0 407.427 2.959 20 5 HFBDRN CCc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804643313 1078695099 /nfs/dbraw/zinc/69/50/99/1078695099.db2.gz YLOVNNQVLZIZMR-IRXDYDNUSA-N 0 0 405.451 2.667 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000804884992 1078713918 /nfs/dbraw/zinc/71/39/18/1078713918.db2.gz ZONDGZDKIGNJKL-INIZCTEOSA-N 0 0 421.450 2.528 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000804885203 1078713964 /nfs/dbraw/zinc/71/39/64/1078713964.db2.gz MAJZVWDHYLEDLQ-INIZCTEOSA-N 0 0 421.450 2.528 20 5 HFBDRN COC(=O)c1ccc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1C ZINC001129748137 1078725344 /nfs/dbraw/zinc/72/53/44/1078725344.db2.gz ZRONWPSIYJYNEE-CYBMUJFWSA-N 0 0 403.288 2.892 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000804641570 1078728468 /nfs/dbraw/zinc/72/84/68/1078728468.db2.gz CKMYDMQYYJHSLQ-KBPBESRZSA-N 0 0 416.434 2.586 20 5 HFBDRN CCOc1cc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC001129750117 1078729728 /nfs/dbraw/zinc/72/97/28/1078729728.db2.gz FNCKCDOAYWUWMD-HNNXBMFYSA-N 0 0 417.393 2.677 20 5 HFBDRN CCOc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OC ZINC001129750118 1078729897 /nfs/dbraw/zinc/72/98/97/1078729897.db2.gz FNCKCDOAYWUWMD-OAHLLOKOSA-N 0 0 417.393 2.677 20 5 HFBDRN COC[C@]1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804921718 1078742742 /nfs/dbraw/zinc/74/27/42/1078742742.db2.gz FDWBIPKKYRGDNP-HXUWFJFHSA-N 0 0 422.482 2.810 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000804926488 1078783016 /nfs/dbraw/zinc/78/30/16/1078783016.db2.gz HTUZUMSZLORGCL-QGZVFWFLSA-N 0 0 415.450 2.910 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000804931822 1078787145 /nfs/dbraw/zinc/78/71/45/1078787145.db2.gz SZCMPRMVEOQADF-ZDUSSCGKSA-N 0 0 410.446 2.929 20 5 HFBDRN CCOC(=O)c1c(NC(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)ccn1C ZINC001130031639 1078807597 /nfs/dbraw/zinc/80/75/97/1078807597.db2.gz BTEMPDAPRALHAL-UHFFFAOYSA-N 0 0 411.418 2.916 20 5 HFBDRN Cc1c(CNC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000805031246 1078843844 /nfs/dbraw/zinc/84/38/44/1078843844.db2.gz YKKNECNRDVUDQC-UHFFFAOYSA-N 0 0 414.418 2.567 20 5 HFBDRN Cc1c(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001130070751 1078877317 /nfs/dbraw/zinc/87/73/17/1078877317.db2.gz URESYRWFJSHAKO-OAHLLOKOSA-N 0 0 412.402 2.590 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000805106955 1078889752 /nfs/dbraw/zinc/88/97/52/1078889752.db2.gz MHTSEEOVYOSOCL-GFCCVEGCSA-N 0 0 419.887 2.880 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000805117375 1078902352 /nfs/dbraw/zinc/90/23/52/1078902352.db2.gz MNKFEXBXHPWUSL-ZDUSSCGKSA-N 0 0 417.459 2.722 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000805129008 1078927688 /nfs/dbraw/zinc/92/76/88/1078927688.db2.gz GXQCBOCGWHMFCM-KBPBESRZSA-N 0 0 413.496 2.888 20 5 HFBDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000805132449 1078930880 /nfs/dbraw/zinc/93/08/80/1078930880.db2.gz FOPNOGUMQDGEMG-JQWIXIFHSA-N 0 0 419.887 2.924 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](CO)c1ccc(Cl)cc1 ZINC000805140965 1078936987 /nfs/dbraw/zinc/93/69/87/1078936987.db2.gz XJIGWKRWVUKXAT-GFCCVEGCSA-N 0 0 402.831 2.750 20 5 HFBDRN Cc1cc(S(=O)(=O)NC[C@@H](CO)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1F ZINC000805141884 1078939443 /nfs/dbraw/zinc/93/94/43/1078939443.db2.gz MOJKZYDEWUWTKU-LBPRGKRZSA-N 0 0 402.831 2.750 20 5 HFBDRN C[C@@H]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001130098124 1078948452 /nfs/dbraw/zinc/94/84/52/1078948452.db2.gz KWNWHETVVFDVPW-QLFBSQMISA-N 0 0 409.487 2.579 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000805282132 1079007305 /nfs/dbraw/zinc/00/73/05/1079007305.db2.gz KGSHAMUYJFVDRN-KRWDZBQOSA-N 0 0 415.450 2.864 20 5 HFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000805321659 1079018523 /nfs/dbraw/zinc/01/85/23/1079018523.db2.gz YGSWLOURQVVDCO-REZBVGGZSA-N 0 0 415.471 2.578 20 5 HFBDRN O=C(CCCc1ccccc1)NCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001130148692 1079031632 /nfs/dbraw/zinc/03/16/32/1079031632.db2.gz JFBOKBLLJOKXKJ-UHFFFAOYSA-N 0 0 421.457 2.649 20 5 HFBDRN C[C@@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nccn1-c1ccccc1 ZINC000805368549 1079050603 /nfs/dbraw/zinc/05/06/03/1079050603.db2.gz OGOKBONQBGNKEA-CYBMUJFWSA-N 0 0 408.370 2.993 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805427194 1079058276 /nfs/dbraw/zinc/05/82/76/1079058276.db2.gz QPPRVOZNOZELOE-UWVGGRQHSA-N 0 0 401.799 2.716 20 5 HFBDRN O=C(COc1cccc([N+](=O)[O-])c1)N1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC001130191653 1079059701 /nfs/dbraw/zinc/05/97/01/1079059701.db2.gz HQJQCNFXUWBQAD-HXUWFJFHSA-N 0 0 409.442 2.550 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000805417740 1079078206 /nfs/dbraw/zinc/07/82/06/1079078206.db2.gz KQTXOAOAKCIOLL-CQSZACIVSA-N 0 0 416.434 2.980 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)Nc1cnn(C)c1-c1ccccc1 ZINC000805460962 1079084016 /nfs/dbraw/zinc/08/40/16/1079084016.db2.gz UDKGSOMLFMSXSC-UHFFFAOYSA-N 0 0 410.386 2.834 20 5 HFBDRN C[C@H](Cc1ccccn1)NC(=O)c1cc([N+](=O)[O-])ccc1I ZINC001130239113 1079102398 /nfs/dbraw/zinc/10/23/98/1079102398.db2.gz LAJXBUWJCCWNKZ-SNVBAGLBSA-N 0 0 411.199 2.955 20 5 HFBDRN O=C(COC(=O)c1cc(I)cc([N+](=O)[O-])c1)c1cscn1 ZINC000805521053 1079116342 /nfs/dbraw/zinc/11/63/42/1079116342.db2.gz VGTAZPJAYDTMGQ-UHFFFAOYSA-N 0 0 418.168 2.696 20 5 HFBDRN COC(=O)c1ccc(NC(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(S(C)(=O)=O)c1 ZINC001130249927 1079137895 /nfs/dbraw/zinc/13/78/95/1079137895.db2.gz CJHKRTTVYYQSKB-UHFFFAOYSA-N 0 0 406.416 2.654 20 5 HFBDRN C[C@H](OC(=O)c1ccc(C(N)=O)c(Cl)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000805572616 1079155057 /nfs/dbraw/zinc/15/50/57/1079155057.db2.gz HVTIMFSGLRJYMH-QMMMGPOBSA-N 0 0 417.765 2.710 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)n1ccc2ccccc2c1=O ZINC000805628461 1079182836 /nfs/dbraw/zinc/18/28/36/1079182836.db2.gz IIPBXMKFWDZNKI-AWEZNQCLSA-N 0 0 409.398 2.961 20 5 HFBDRN COC(=O)[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccnn1C ZINC001130306537 1079201341 /nfs/dbraw/zinc/20/13/41/1079201341.db2.gz JZBQAXVSBKBBAE-GOSISDBHSA-N 0 0 409.402 2.716 20 5 HFBDRN COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000747265811 1079221270 /nfs/dbraw/zinc/22/12/70/1079221270.db2.gz FURLOXCYLJKJNV-IZZDOVSWSA-N 0 0 402.428 2.923 20 5 HFBDRN CNC(=O)[C@@H](CNC(=O)CCc1cc(F)ccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001130339868 1079227084 /nfs/dbraw/zinc/22/70/84/1079227084.db2.gz PYQATTABKZVWEG-MRXNPFEDSA-N 0 0 419.428 2.835 20 5 HFBDRN C[C@H](OC(=O)c1ncsc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000805708203 1079228298 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Cc1cnc(COC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000789487375 1077591346 /nfs/dbraw/zinc/59/13/46/1077591346.db2.gz JGQQNBGHKWAWAZ-INIZCTEOSA-N 0 0 406.460 2.868 20 5 HFBDRN CCc1cccc(OC)c1COC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000791916662 1077609405 /nfs/dbraw/zinc/60/94/05/1077609405.db2.gz OSPMCEKHEJBCOP-UHFFFAOYSA-N 0 0 401.419 2.708 20 5 HFBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-n2cc(Br)cn2)nn1 ZINC000749319304 1077618991 /nfs/dbraw/zinc/61/89/91/1077618991.db2.gz YBAOBHKVSWKDLM-UHFFFAOYSA-N 0 0 407.159 2.724 20 5 HFBDRN Cc1c(NC(=O)[C@@H](C)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000789532147 1077626370 /nfs/dbraw/zinc/62/63/70/1077626370.db2.gz YMCBAFINLOSITB-UZLBHIALSA-N 0 0 410.474 2.963 20 5 HFBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789531611 1077627189 /nfs/dbraw/zinc/62/71/89/1077627189.db2.gz VSUMUQVBLLAYRG-SFHVURJKSA-N 0 0 407.430 2.878 20 5 HFBDRN 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COC[C@@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000789604050 1077705920 /nfs/dbraw/zinc/70/59/20/1077705920.db2.gz LGLMDCPSQIRZBN-OAHLLOKOSA-N 0 0 405.838 2.903 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000792091132 1077712524 /nfs/dbraw/zinc/71/25/24/1077712524.db2.gz RUVKIFUPEMSKMR-NSHDSACASA-N 0 0 421.312 2.878 20 5 HFBDRN O=C(NCC(F)(F)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000789685715 1077726499 /nfs/dbraw/zinc/72/64/99/1077726499.db2.gz FZVUGVIFLNSAKD-GFCCVEGCSA-N 0 0 407.348 2.995 20 5 HFBDRN CCOc1ccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000789667533 1077734526 /nfs/dbraw/zinc/73/45/26/1077734526.db2.gz IXEOMGUSPUKHQW-UHFFFAOYSA-N 0 0 424.435 2.764 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C)c1[N+](=O)[O-] ZINC000789670407 1077734987 /nfs/dbraw/zinc/73/49/87/1077734987.db2.gz BIVUKWRTOMUXKA-INIZCTEOSA-N 0 0 400.347 2.751 20 5 HFBDRN CCOc1ccc(NC(=O)CNc2ccc(F)cc2C(=O)N(C)OC)c([N+](=O)[O-])c1 ZINC000789682279 1077740419 /nfs/dbraw/zinc/74/04/19/1077740419.db2.gz MEABMVHUKSWCAT-UHFFFAOYSA-N 0 0 420.397 2.817 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nn(-c2ccc(F)cc2)cc1O ZINC000792203051 1077744799 /nfs/dbraw/zinc/74/47/99/1077744799.db2.gz HAKSBVQOTIBOTR-UHFFFAOYSA-N 0 0 402.294 2.890 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747064709 1077786643 /nfs/dbraw/zinc/78/66/43/1077786643.db2.gz DRZKLTPGJFUEIK-ZDUSSCGKSA-N 0 0 409.439 2.888 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746859574 1077792814 /nfs/dbraw/zinc/79/28/14/1077792814.db2.gz MOUPBGGYMGBCBF-KGLIPLIRSA-N 0 0 407.471 2.506 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747065154 1077808228 /nfs/dbraw/zinc/80/82/28/1077808228.db2.gz HJYHAWJJQSSLEY-ZDUSSCGKSA-N 0 0 409.439 2.888 20 5 HFBDRN CC(=O)OC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000792353658 1077812663 /nfs/dbraw/zinc/81/26/63/1077812663.db2.gz YGGKFOJPQDYIKY-QMMMGPOBSA-N 0 0 406.313 2.826 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1nc2cccnc2s1 ZINC000792392442 1077832239 /nfs/dbraw/zinc/83/22/39/1077832239.db2.gz ATWGBQWZLRKWEL-VIFPVBQESA-N 0 0 402.388 2.792 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000789877483 1077832545 /nfs/dbraw/zinc/83/25/45/1077832545.db2.gz JKPMRSHAXMHSFK-UHFFFAOYSA-N 0 0 410.180 2.591 20 5 HFBDRN CCO[C@@H]1C[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C1(C)C ZINC000789880487 1077833742 /nfs/dbraw/zinc/83/37/42/1077833742.db2.gz CDRSEGKEEYKEPM-NQIIRXRSSA-N 0 0 405.495 2.881 20 5 HFBDRN CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789883587 1077834991 /nfs/dbraw/zinc/83/49/91/1077834991.db2.gz IFRRBDAFXYVHRO-LJQANCHMSA-N 0 0 420.425 2.722 20 5 HFBDRN C[C@@H](O)[C@@](C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000792400029 1077835367 /nfs/dbraw/zinc/83/53/67/1077835367.db2.gz RWXYDTOMOIFALI-ZUOKHONESA-N 0 0 419.865 2.933 20 5 HFBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000789849051 1077838559 /nfs/dbraw/zinc/83/85/59/1077838559.db2.gz DIHORERRVFZXHZ-MRXNPFEDSA-N 0 0 403.347 2.546 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000747073123 1077853627 /nfs/dbraw/zinc/85/36/27/1077853627.db2.gz YVFNRDVUGXHMSS-CYBMUJFWSA-N 0 0 409.439 2.604 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)ccc1F ZINC000792461910 1077858560 /nfs/dbraw/zinc/85/85/60/1077858560.db2.gz RMHPEPNTFLHIDY-UHFFFAOYSA-N 0 0 421.362 2.544 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nsc(N(C)C)n1 ZINC000792471964 1077872127 /nfs/dbraw/zinc/87/21/27/1077872127.db2.gz FDKSLGSXIHFCAK-UHFFFAOYSA-N 0 0 401.242 2.940 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C(=O)OCC(C)C ZINC000790044123 1077909914 /nfs/dbraw/zinc/90/99/14/1077909914.db2.gz PUOXWXZSCADZEK-JTQLQIEISA-N 0 0 423.285 2.532 20 5 HFBDRN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001170237327 1077914310 /nfs/dbraw/zinc/91/43/10/1077914310.db2.gz ACEBHYIOZRUVLG-XCRHUMRWSA-N 0 0 411.499 2.891 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@@H](C(=O)N2CCc3sccc3C2)C(C)C)c1[N+](=O)[O-] ZINC000790077260 1077924143 /nfs/dbraw/zinc/92/41/43/1077924143.db2.gz KGIQLYSPKNPGJE-MRXNPFEDSA-N 0 0 406.464 2.708 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000792591138 1077925042 /nfs/dbraw/zinc/92/50/42/1077925042.db2.gz YWSSFTDQOMKCCZ-UHFFFAOYSA-N 0 0 408.432 2.899 20 5 HFBDRN CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000790080711 1077925040 /nfs/dbraw/zinc/92/50/40/1077925040.db2.gz VNKCJYNOMDAGPX-GOSISDBHSA-N 0 0 418.494 2.719 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000790047830 1077927722 /nfs/dbraw/zinc/92/77/22/1077927722.db2.gz IUGJTLWDPBTSJB-BXUZGUMPSA-N 0 0 419.297 2.902 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCCC[C@@H]1O ZINC000790049234 1077928928 /nfs/dbraw/zinc/92/89/28/1077928928.db2.gz MLZKTLXTOLFNCY-FZMZJTMJSA-N 0 0 421.313 2.837 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CCO)c1ccco1 ZINC000790051152 1077931547 /nfs/dbraw/zinc/93/15/47/1077931547.db2.gz LAJBYQFMRJJJDA-LLVKDONJSA-N 0 0 419.253 2.661 20 5 HFBDRN CCCn1c(=O)cc(N[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n(CCC)c1=O ZINC001170313812 1077940857 /nfs/dbraw/zinc/94/08/57/1077940857.db2.gz RORQEAUMNBUNAX-CQSZACIVSA-N 0 0 404.467 2.790 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c1OC ZINC000790114620 1077942276 /nfs/dbraw/zinc/94/22/76/1077942276.db2.gz OWUNVOXJPZNDLB-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 ZINC001170333526 1077945872 /nfs/dbraw/zinc/94/58/72/1077945872.db2.gz NVWCMOWXVOFABD-HNNXBMFYSA-N 0 0 403.298 2.758 20 5 HFBDRN COc1ccc(C[C@H](C)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170335918 1077947161 /nfs/dbraw/zinc/94/71/61/1077947161.db2.gz QZEFRDVALXZIHO-JCGIZDLHSA-N 0 0 421.494 2.855 20 5 HFBDRN COC[C@@H]1c2nnn(CC3CC3)c2CCN1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170336408 1077947457 /nfs/dbraw/zinc/94/74/57/1077947457.db2.gz XMRFLGVUARWCFF-VBKZILBWSA-N 0 0 415.494 2.782 20 5 HFBDRN COC(=O)[C@@](C)(NC(=O)CCc1cc2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001170356515 1077949228 /nfs/dbraw/zinc/94/92/28/1077949228.db2.gz BQCGFHKSYAUBKV-QFIPXVFZSA-N 0 0 423.425 2.986 20 5 HFBDRN COc1ccc(C[C@H](C)N2Cc3nccn3C[C@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343560 1077953924 /nfs/dbraw/zinc/95/39/24/1077953924.db2.gz QOIOXJXJEUXMTF-IRXDYDNUSA-N 0 0 410.478 2.760 20 5 HFBDRN C[C@@H]1CN(CCN(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000790121341 1077957696 /nfs/dbraw/zinc/95/76/96/1077957696.db2.gz FWOBXOVXNGVBIL-PHIMTYICSA-N 0 0 418.263 2.678 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3C)cc2CC1 ZINC000790163708 1077963585 /nfs/dbraw/zinc/96/35/85/1077963585.db2.gz WASSRTROKPUUIT-UHFFFAOYSA-N 0 0 404.444 2.618 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cc1 ZINC000792662621 1077964116 /nfs/dbraw/zinc/96/41/16/1077964116.db2.gz WKCFBFVPVZQSHQ-UHFFFAOYSA-N 0 0 423.403 2.669 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1I)N1C[C@@H](O)Cc2ccccc21 ZINC000790151873 1077965429 /nfs/dbraw/zinc/96/54/29/1077965429.db2.gz MVDBMKFWKUHAAW-LBPRGKRZSA-N 0 0 424.194 2.763 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000790219428 1077972907 /nfs/dbraw/zinc/97/29/07/1077972907.db2.gz CCWQHDAITOOJGU-UHFFFAOYSA-N 0 0 410.455 2.990 20 5 HFBDRN Cc1ccc(-n2cnc3c2CCN(CN2C(=O)c4ccc([N+](=O)[O-])cc4C2=O)C3)cc1 ZINC000792707509 1077979623 /nfs/dbraw/zinc/97/96/23/1077979623.db2.gz ODSJVYUGWNWNDV-UHFFFAOYSA-N 0 0 417.425 2.701 20 5 HFBDRN O=C(COc1cc(F)c(Br)cc1[N+](=O)[O-])N1CCOC[C@H]1C1CC1 ZINC000790297066 1077988715 /nfs/dbraw/zinc/98/87/15/1077988715.db2.gz XOIJRQPEVQCCKV-ZDUSSCGKSA-N 0 0 403.204 2.513 20 5 HFBDRN Cc1nccn1-c1ccc(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])cn1 ZINC000790266674 1077990252 /nfs/dbraw/zinc/99/02/52/1077990252.db2.gz IOTXGONQAHMIEP-UHFFFAOYSA-N 0 0 408.462 2.928 20 5 HFBDRN Cc1c(C(=O)N2CCSC[C@H]2c2cnn(C)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000792786022 1077991107 /nfs/dbraw/zinc/99/11/07/1077991107.db2.gz QBDJDIVZTAPZER-HNNXBMFYSA-N 0 0 405.436 2.784 20 5 HFBDRN C[C@@H](OC(=O)[C@@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792785719 1077991366 /nfs/dbraw/zinc/99/13/66/1077991366.db2.gz PNTXVTDYVPVRMC-MPBGBICISA-N 0 0 402.378 2.524 20 5 HFBDRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000790272181 1077992693 /nfs/dbraw/zinc/99/26/93/1077992693.db2.gz SZTBCMJDNWUMBR-KRWDZBQOSA-N 0 0 420.510 2.873 20 5 HFBDRN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000790378572 1078008544 /nfs/dbraw/zinc/00/85/44/1078008544.db2.gz WKVAXSQVASRGQB-OKILXGFUSA-N 0 0 414.418 2.708 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790375613 1078018121 /nfs/dbraw/zinc/01/81/21/1078018121.db2.gz WJXHYXFKNZFXPX-LEWJYISDSA-N 0 0 416.430 2.669 20 5 HFBDRN CC(C)[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000790396402 1078025080 /nfs/dbraw/zinc/02/50/80/1078025080.db2.gz SIVAREUNBFTGEX-OALUTQOASA-N 0 0 417.487 2.660 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000790438317 1078031532 /nfs/dbraw/zinc/03/15/32/1078031532.db2.gz LTTHPTSISDCRKW-WAYWQWQTSA-N 0 0 419.887 2.916 20 5 HFBDRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)C1=O ZINC000790442647 1078033095 /nfs/dbraw/zinc/03/30/95/1078033095.db2.gz LRNFMQWPGCJPGM-UHFFFAOYSA-N 0 0 413.346 2.590 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC[C@]2(C1)CCCOC2 ZINC000790449501 1078035403 /nfs/dbraw/zinc/03/54/03/1078035403.db2.gz GKWNJRJBXPJYBV-AWEZNQCLSA-N 0 0 405.270 2.549 20 5 HFBDRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000790454493 1078036765 /nfs/dbraw/zinc/03/67/65/1078036765.db2.gz DQQJJNQQLZUGOB-ZDUSSCGKSA-N 0 0 407.286 2.793 20 5 HFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790456729 1078037230 /nfs/dbraw/zinc/03/72/30/1078037230.db2.gz JWLLFDRTFAWHFY-MQIPJXDCSA-N 0 0 404.872 2.514 20 5 HFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000790456380 1078037377 /nfs/dbraw/zinc/03/73/77/1078037377.db2.gz HGMABRRDEYEYDR-GFCCVEGCSA-N 0 0 404.872 2.515 20 5 HFBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCO[C@H](COc2ccccc2)C1 ZINC000790459666 1078038324 /nfs/dbraw/zinc/03/83/24/1078038324.db2.gz MXESQTDBBUBHHU-FQEVSTJZSA-N 0 0 422.441 2.556 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cc1[N+](=O)[O-] ZINC000793020021 1078039694 /nfs/dbraw/zinc/03/96/94/1078039694.db2.gz FSVSLYUIEXHRQI-CQSZACIVSA-N 0 0 419.478 2.832 20 5 HFBDRN COc1ccc([C@H](CN(C)C)NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc1 ZINC000790479833 1078041026 /nfs/dbraw/zinc/04/10/26/1078041026.db2.gz GOHAWSMVYFJDIZ-INIZCTEOSA-N 0 0 411.455 2.632 20 5 HFBDRN CCCCC[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000806323368 1079595842 /nfs/dbraw/zinc/59/58/42/1079595842.db2.gz POJGKAJWPNYRPM-QGZVFWFLSA-N 0 0 419.526 2.750 20 5 HFBDRN COC(=O)N1CCC(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000796968473 1079643159 /nfs/dbraw/zinc/64/31/59/1079643159.db2.gz YYRPDORKYHCVGV-UHFFFAOYSA-N 0 0 401.213 2.993 20 5 HFBDRN CC(C)NC(=O)OC1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000806368673 1079655968 /nfs/dbraw/zinc/65/59/68/1079655968.db2.gz ZRBVZVUSYZNDLQ-UHFFFAOYSA-N 0 0 401.217 2.708 20 5 HFBDRN CO[C@]1(C)C[C@@H](OC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1(C)C ZINC000747327894 1079663180 /nfs/dbraw/zinc/66/31/80/1079663180.db2.gz FLHUZZJRQHVNDW-WHWRDJHUSA-N 0 0 414.480 2.786 20 5 HFBDRN Cc1cc(=O)c(C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC001130624057 1079667160 /nfs/dbraw/zinc/66/71/60/1079667160.db2.gz XPQDGAZQBYPBFH-ZWKOTPCHSA-N 0 0 408.817 2.884 20 5 HFBDRN COCCN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C(C)(C)C1 ZINC001130635584 1079724575 /nfs/dbraw/zinc/72/45/75/1079724575.db2.gz HHZGMEDALZCLKV-UHFFFAOYSA-N 0 0 400.273 2.540 20 5 HFBDRN COCCN1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001130635816 1079726332 /nfs/dbraw/zinc/72/63/32/1079726332.db2.gz PWHGTLGULKADMB-UHFFFAOYSA-N 0 0 414.300 2.849 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000806498088 1079748688 /nfs/dbraw/zinc/74/86/88/1079748688.db2.gz XHAWSSQCSFRGFM-HNNXBMFYSA-N 0 0 408.455 2.756 20 5 HFBDRN CC[C@H]1CN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC001130694620 1079879948 /nfs/dbraw/zinc/87/99/48/1079879948.db2.gz ORRLDQISHAJDGQ-AAEUAGOBSA-N 0 0 400.273 2.819 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000806776716 1079994387 /nfs/dbraw/zinc/99/43/87/1079994387.db2.gz OOOKKEBWZZYQGX-MRXNPFEDSA-N 0 0 408.455 2.626 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000806776511 1079994849 /nfs/dbraw/zinc/99/48/49/1079994849.db2.gz LPJJEAKZSXBISS-MRXNPFEDSA-N 0 0 408.455 2.672 20 5 HFBDRN Cc1cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)cc1F ZINC000806844708 1080029893 /nfs/dbraw/zinc/02/98/93/1080029893.db2.gz RZALCODUMNSGJJ-UHFFFAOYSA-N 0 0 420.828 2.983 20 5 HFBDRN CNC(=O)OC[C@H]1CCCCN1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000806844818 1080030151 /nfs/dbraw/zinc/03/01/51/1080030151.db2.gz VMOOJWKSGZHPEX-OAHLLOKOSA-N 0 0 407.471 2.625 20 5 HFBDRN CNC(=O)OC[C@@H]1CCCCN1C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000806844817 1080030222 /nfs/dbraw/zinc/03/02/22/1080030222.db2.gz VMOOJWKSGZHPEX-HNNXBMFYSA-N 0 0 407.471 2.625 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)cc1 ZINC001130759080 1080046707 /nfs/dbraw/zinc/04/67/07/1080046707.db2.gz ZXUWWEAYRAMXEA-UHFFFAOYSA-N 0 0 400.416 2.646 20 5 HFBDRN COc1ccc(N2C[C@@H](NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC001130784939 1080092875 /nfs/dbraw/zinc/09/28/75/1080092875.db2.gz IEDDGEQPCLJVBF-INIZCTEOSA-N 0 0 424.457 2.739 20 5 HFBDRN CCOc1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)ccc1[N+](=O)[O-] ZINC001130798576 1080185448 /nfs/dbraw/zinc/18/54/48/1080185448.db2.gz GLVKTNONRIKIAD-UHFFFAOYSA-N 0 0 407.448 2.933 20 5 HFBDRN CCCCS(=O)(=O)N1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC001130798679 1080185501 /nfs/dbraw/zinc/18/55/01/1080185501.db2.gz KLJXWQKMDGJAFY-UHFFFAOYSA-N 0 0 413.496 2.774 20 5 HFBDRN CCOc1cc(NC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)ccc1[N+](=O)[O-] ZINC001130799161 1080186074 /nfs/dbraw/zinc/18/60/74/1080186074.db2.gz VSMWXRZJWUWZII-CQSZACIVSA-N 0 0 421.450 2.512 20 5 HFBDRN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC[S@@](=O)CC(F)(F)F ZINC001130874095 1080354119 /nfs/dbraw/zinc/35/41/19/1080354119.db2.gz MNHHRDDRUIEXBN-MUUNZHRXSA-N 0 0 410.417 2.582 20 5 HFBDRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000807230904 1080389538 /nfs/dbraw/zinc/38/95/38/1080389538.db2.gz JTCTYXVXKVHJJA-SNAWJCMRSA-N 0 0 401.423 2.591 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000807298035 1080491740 /nfs/dbraw/zinc/49/17/40/1080491740.db2.gz RMHDAZLYFKKTLR-UHFFFAOYSA-N 0 0 417.290 2.930 20 5 HFBDRN Cc1cc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cnc1Br ZINC000807297422 1080493536 /nfs/dbraw/zinc/49/35/36/1080493536.db2.gz DLMBNDFZJNNLKA-UHFFFAOYSA-N 0 0 421.251 2.700 20 5 HFBDRN CCCn1nccc1NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1Br ZINC000807469668 1080649485 /nfs/dbraw/zinc/64/94/85/1080649485.db2.gz HSXQOSPGCGAEMB-UHFFFAOYSA-N 0 0 410.228 2.849 20 5 HFBDRN Cc1c(NC(=O)C(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000807487068 1080669303 /nfs/dbraw/zinc/66/93/03/1080669303.db2.gz PGWFLWADLADWGS-HNNXBMFYSA-N 0 0 411.336 2.710 20 5 HFBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000426815796 1126092430 /nfs/dbraw/zinc/09/24/30/1126092430.db2.gz HHOXQJMNTLQRCW-OALUTQOASA-N 0 0 400.431 2.938 20 5 HFBDRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164409463 718866527 /nfs/dbraw/zinc/86/65/27/718866527.db2.gz QMZPEIQZDMXGHL-UHFFFAOYSA-N 0 0 415.784 2.972 20 5 HFBDRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164431928 718971735 /nfs/dbraw/zinc/97/17/35/718971735.db2.gz CTWJOAXOTYCHBL-DOMZBBRYSA-N 0 0 405.785 2.737 20 5 HFBDRN CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164648683 719313173 /nfs/dbraw/zinc/31/31/73/719313173.db2.gz KKHHUWYOGZSGRG-UHFFFAOYSA-N 0 0 416.482 2.568 20 5 HFBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCc3onc(Cn4ccnc4)c3C2)nc1Cl ZINC001164678551 719563155 /nfs/dbraw/zinc/56/31/55/719563155.db2.gz ZVBWSNRYWGKBSI-UHFFFAOYSA-N 0 0 410.768 2.984 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2CN1Cc1ccncc1 ZINC001164855678 720809066 /nfs/dbraw/zinc/80/90/66/720809066.db2.gz XWUBEHUBSNZTGT-JSGCOSHPSA-N 0 0 423.807 2.678 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCCO[C@H]12 ZINC001164803371 721588278 /nfs/dbraw/zinc/58/82/78/721588278.db2.gz HUHKZGFWMNHQMR-ZVDOUQERSA-N 0 0 420.473 2.801 20 5 HFBDRN O=C1[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2CN1c1cccnc1 ZINC001165025381 721789907 /nfs/dbraw/zinc/78/99/07/721789907.db2.gz VNNGZPPRTJPNHW-ZWNOBZJWSA-N 0 0 409.780 2.682 20 5 HFBDRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3O2)n1 ZINC001164961870 722040951 /nfs/dbraw/zinc/04/09/51/722040951.db2.gz NRHWZGYKVNPTIW-GAFUQQFSSA-N 0 0 415.784 2.716 20 5 HFBDRN COc1nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)ccc1[N+](=O)[O-] ZINC001164984926 722177838 /nfs/dbraw/zinc/17/78/38/722177838.db2.gz HBEZKJJKCIWSTE-NVXWUHKLSA-N 0 0 419.507 2.633 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(C)c4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987071 722178236 /nfs/dbraw/zinc/17/82/36/722178236.db2.gz MEWQUUYZUPREOP-SJORKVTESA-N 0 0 403.508 2.933 20 5 HFBDRN Cc1nnc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000793004730 1078045731 /nfs/dbraw/zinc/04/57/31/1078045731.db2.gz BNQSTYQLKZBPDP-ZDUSSCGKSA-N 0 0 414.466 2.664 20 5 HFBDRN CNS(=O)(=O)c1cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])ccc1C ZINC000790505413 1078047245 /nfs/dbraw/zinc/04/72/45/1078047245.db2.gz YXHJCWJDOWMRSZ-UHFFFAOYSA-N 0 0 415.830 2.785 20 5 HFBDRN COC(=O)c1cccc(-c2nc(C[S@@](=O)CCn3cc([N+](=O)[O-])cn3)cs2)c1 ZINC000772824707 1078051534 /nfs/dbraw/zinc/05/15/34/1078051534.db2.gz NZMWWOPNTFULDP-NDEPHWFRSA-N 0 0 420.472 2.650 20 5 HFBDRN COc1ccc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)C2=O)cc1 ZINC000790533507 1078052776 /nfs/dbraw/zinc/05/27/76/1078052776.db2.gz OPKUMNUGASHBFK-KRWDZBQOSA-N 0 0 401.394 2.582 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)c1F ZINC000790549806 1078054025 /nfs/dbraw/zinc/05/40/25/1078054025.db2.gz BQYISMHSYZJIMM-GFCCVEGCSA-N 0 0 422.438 2.728 20 5 HFBDRN NC(=O)C1(c2ccccc2)CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790554762 1078054862 /nfs/dbraw/zinc/05/48/62/1078054862.db2.gz KUZNMIDUQMYJDC-UHFFFAOYSA-N 0 0 419.840 2.976 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000793046301 1078055421 /nfs/dbraw/zinc/05/54/21/1078055421.db2.gz GYWAQZXQLQQNOB-GXTWGEPZSA-N 0 0 417.384 2.745 20 5 HFBDRN COc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000790559517 1078056089 /nfs/dbraw/zinc/05/60/89/1078056089.db2.gz NQGCHTMNCPNWRE-UHFFFAOYSA-N 0 0 406.761 2.553 20 5 HFBDRN 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O=C(CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000804401547 1078466202 /nfs/dbraw/zinc/46/62/02/1078466202.db2.gz XTUHUKHRROXNCN-UHFFFAOYSA-N 0 0 419.825 2.917 20 5 HFBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ncccc2-c2ccccn2)CC1 ZINC001129439945 1078466738 /nfs/dbraw/zinc/46/67/38/1078466738.db2.gz PFDIZDNRSMDEQF-UHFFFAOYSA-N 0 0 417.425 2.650 20 5 HFBDRN C[C@H]1CC(C)(C)CN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001129777611 1078488210 /nfs/dbraw/zinc/48/82/10/1078488210.db2.gz NEILWSGSCXCZRC-LSDHHAIUSA-N 0 0 409.508 2.643 20 5 HFBDRN Cn1c2cc(N[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804458445 1078497780 /nfs/dbraw/zinc/49/77/80/1078497780.db2.gz ITQGNPQGRSBTNW-LBPRGKRZSA-N 0 0 405.455 2.597 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804669687 1078502202 /nfs/dbraw/zinc/50/22/02/1078502202.db2.gz VWRVTOUKIWHHQM-ZIAGYGMSSA-N 0 0 407.471 2.744 20 5 HFBDRN 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Cc1ccc([C@H](O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000804473190 1078534205 /nfs/dbraw/zinc/53/42/05/1078534205.db2.gz MVXGXKGCQWBPSF-QIIPPGSGSA-N 0 0 417.487 2.808 20 5 HFBDRN C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804496468 1078551641 /nfs/dbraw/zinc/55/16/41/1078551641.db2.gz XYMBGQILAGCAPT-FZMZJTMJSA-N 0 0 403.439 2.983 20 5 HFBDRN C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000804496467 1078551668 /nfs/dbraw/zinc/55/16/68/1078551668.db2.gz XYMBGQILAGCAPT-BXUZGUMPSA-N 0 0 403.439 2.983 20 5 HFBDRN Cc1ccc([C@@H](O)[C@@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000804492019 1078549558 /nfs/dbraw/zinc/54/95/58/1078549558.db2.gz FOXLYMYPEVBRMM-VLIAUNLRSA-N 0 0 413.430 2.830 20 5 HFBDRN COc1cc(OCC(=O)NC2(C(=O)OCc3ccccc3)CCC2)ccc1[N+](=O)[O-] ZINC001129564788 1078558457 /nfs/dbraw/zinc/55/84/57/1078558457.db2.gz ZGPGQXLMTQFUIR-UHFFFAOYSA-N 0 0 414.414 2.765 20 5 HFBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)nn1CC(F)(F)F ZINC001129889491 1078559827 /nfs/dbraw/zinc/55/98/27/1078559827.db2.gz FAGJNYXVRUSVMK-UHFFFAOYSA-N 0 0 413.356 2.751 20 5 HFBDRN COc1cc(CN2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc(OC)c1 ZINC000804530230 1078567449 /nfs/dbraw/zinc/56/74/49/1078567449.db2.gz BDJXUIZLAXPPCC-UHFFFAOYSA-N 0 0 402.407 2.842 20 5 HFBDRN Cc1ccc(NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c([N+](=O)[O-])c1Br ZINC000804531422 1078568749 /nfs/dbraw/zinc/56/87/49/1078568749.db2.gz ZJEZURTTWDZYCX-HWPZZCPQSA-N 0 0 411.256 2.798 20 5 HFBDRN Cc1ccc(NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c([N+](=O)[O-])c1Br ZINC000804531427 1078568779 /nfs/dbraw/zinc/56/87/79/1078568779.db2.gz ZJEZURTTWDZYCX-QFYYESIMSA-N 0 0 411.256 2.798 20 5 HFBDRN CCOC(=O)c1c(N)sc2c1CCN(c1ncnc3sc([N+](=O)[O-])cc31)C2 ZINC000804535244 1078582790 /nfs/dbraw/zinc/58/27/90/1078582790.db2.gz JKJAKEIAQJZXFC-UHFFFAOYSA-N 0 0 405.461 2.983 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC000804534724 1078583091 /nfs/dbraw/zinc/58/30/91/1078583091.db2.gz DQVODLXWKPTNAL-OLZOCXBDSA-N 0 0 406.439 2.755 20 5 HFBDRN O=Cc1ccc(OCC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000804727595 1078587208 /nfs/dbraw/zinc/58/72/08/1078587208.db2.gz GAKAMRXTYLDMQP-UHFFFAOYSA-N 0 0 421.356 2.540 20 5 HFBDRN Cc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)c1S(C)(=O)=O ZINC001129896949 1078591653 /nfs/dbraw/zinc/59/16/53/1078591653.db2.gz IYEZZJLMUNEJHK-UHFFFAOYSA-N 0 0 406.416 2.720 20 5 HFBDRN CCc1ccc([C@H](O)CNc2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000804775118 1078601360 /nfs/dbraw/zinc/60/13/60/1078601360.db2.gz CAZCYTQGBMPGOT-BFUOFWGJSA-N 0 0 415.446 2.594 20 5 HFBDRN COc1cccnc1CNC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001129901845 1078596437 /nfs/dbraw/zinc/59/64/37/1078596437.db2.gz HOFQKVDVDVRCGG-UHFFFAOYSA-N 0 0 409.240 2.514 20 5 HFBDRN O=[N+]([O-])c1ccc(N2CCC=C(c3ccco3)C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC000804775963 1078601690 /nfs/dbraw/zinc/60/16/90/1078601690.db2.gz RXTPBNGPUAFXCZ-UHFFFAOYSA-N 0 0 419.459 2.502 20 5 HFBDRN Cn1nccc1C1=CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000804779010 1078604625 /nfs/dbraw/zinc/60/46/25/1078604625.db2.gz NQMNFNHSSBNJDJ-UHFFFAOYSA-N 0 0 416.381 2.916 20 5 HFBDRN COc1cccc(CC(=O)N2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)c1 ZINC000747213581 1078624522 /nfs/dbraw/zinc/62/45/22/1078624522.db2.gz QGQRWVFZFIKSKU-UHFFFAOYSA-N 0 0 403.410 2.642 20 5 HFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC000804577251 1078632039 /nfs/dbraw/zinc/63/20/39/1078632039.db2.gz UJSYLMXVBILORH-GFCCVEGCSA-N 0 0 417.640 2.895 20 5 HFBDRN Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC001129643559 1078633741 /nfs/dbraw/zinc/63/37/41/1078633741.db2.gz BASZZFDHAODNRX-MFKMUULPSA-N 0 0 409.240 2.741 20 5 HFBDRN Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC001129643558 1078633822 /nfs/dbraw/zinc/63/38/22/1078633822.db2.gz BASZZFDHAODNRX-GXFFZTMASA-N 0 0 409.240 2.741 20 5 HFBDRN Cc1c(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cccc1S(=O)(=O)N(C)C ZINC001129684219 1078647862 /nfs/dbraw/zinc/64/78/62/1078647862.db2.gz AJXRRESIDJQOEW-HZPDHXFCSA-N 0 0 403.460 2.896 20 5 HFBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCc2cccc(Cl)c2C1 ZINC001129700241 1078659576 /nfs/dbraw/zinc/65/95/76/1078659576.db2.gz GUEIASNNJOURPT-UHFFFAOYSA-N 0 0 401.806 2.559 20 5 HFBDRN Cc1ccc(N2CC(S(=O)(=O)NC3CCCC3)C2)c([N+](=O)[O-])c1Br ZINC000804606692 1078653281 /nfs/dbraw/zinc/65/32/81/1078653281.db2.gz ZURIYQXFTBGXSU-UHFFFAOYSA-N 0 0 418.313 2.716 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1Cl ZINC000804811491 1078655824 /nfs/dbraw/zinc/65/58/24/1078655824.db2.gz VUBPSTPWCBGOBU-GWCFXTLKSA-N 0 0 419.887 2.555 20 5 HFBDRN Cc1ccccc1[C@@H](O)C1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000804812105 1078657146 /nfs/dbraw/zinc/65/71/46/1078657146.db2.gz DLUCROIIMNOWLK-IBGZPJMESA-N 0 0 405.476 2.501 20 5 HFBDRN C[C@H](CCCc1cccnc1)NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001129701643 1078660015 /nfs/dbraw/zinc/66/00/15/1078660015.db2.gz UWIAWTDRPOEMAY-CYBMUJFWSA-N 0 0 402.476 2.708 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000804611954 1078660602 /nfs/dbraw/zinc/66/06/02/1078660602.db2.gz HJKADQBLTWXENF-MJBXVCDLSA-N 0 0 420.466 2.906 20 5 HFBDRN COC(=O)c1cn([C@H]2CCCN(c3ccc(C)c(Br)c3[N+](=O)[O-])C2)nn1 ZINC000804615508 1078665448 /nfs/dbraw/zinc/66/54/48/1078665448.db2.gz SYKJFFDVNRDVLE-NSHDSACASA-N 0 0 424.255 2.885 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c1[N+](=O)[O-] ZINC000804617801 1078668040 /nfs/dbraw/zinc/66/80/40/1078668040.db2.gz ZCYYEOGNFYGXMA-FQEVSTJZSA-N 0 0 420.466 2.922 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804833769 1078673351 /nfs/dbraw/zinc/67/33/51/1078673351.db2.gz KGSIPMWGKFIWQB-CQSZACIVSA-N 0 0 421.454 2.634 20 5 HFBDRN CC(=O)c1ccc(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c([N+](=O)[O-])c1 ZINC000804834750 1078675016 /nfs/dbraw/zinc/67/50/16/1078675016.db2.gz MMCWFOUABHYAEO-KRWDZBQOSA-N 0 0 418.494 2.929 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000747218052 1078675970 /nfs/dbraw/zinc/67/59/70/1078675970.db2.gz QOTQCHLAVXUVRV-FUHWJXTLSA-N 0 0 404.511 2.558 20 5 HFBDRN COC(=O)/C=C\c1ccc(N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000804841508 1078680805 /nfs/dbraw/zinc/68/08/05/1078680805.db2.gz VVRLLOBRNAVJMZ-MEMKZHQFSA-N 0 0 403.822 2.943 20 5 HFBDRN CCOc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804631171 1078686485 /nfs/dbraw/zinc/68/64/85/1078686485.db2.gz OMTZWPQLHNDTSJ-HZPDHXFCSA-N 0 0 421.450 2.503 20 5 HFBDRN CCc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804643312 1078694995 /nfs/dbraw/zinc/69/49/95/1078694995.db2.gz YLOVNNQVLZIZMR-IAGOWNOFSA-N 0 0 405.451 2.667 20 5 HFBDRN COc1cc(F)cc(C[C@H](C)NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC001129763656 1078706636 /nfs/dbraw/zinc/70/66/36/1078706636.db2.gz IUPPXVOXVBMVCL-NSHDSACASA-N 0 0 410.423 2.507 20 5 HFBDRN C[C@@H]1CC[C@@H]1NC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000804855670 1078725741 /nfs/dbraw/zinc/72/57/41/1078725741.db2.gz TUDPPQIUVMODHR-OCBCSQNSSA-N 0 0 412.402 2.889 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000804641575 1078728583 /nfs/dbraw/zinc/72/85/83/1078728583.db2.gz CKMYDMQYYJHSLQ-ZIAGYGMSSA-N 0 0 416.434 2.586 20 5 HFBDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC000804909433 1078731724 /nfs/dbraw/zinc/73/17/24/1078731724.db2.gz OFOWWOUQCFKPOY-SFYZADRCSA-N 0 0 413.406 2.680 20 5 HFBDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC000804909436 1078731793 /nfs/dbraw/zinc/73/17/93/1078731793.db2.gz OFOWWOUQCFKPOY-YUMQZZPRSA-N 0 0 413.406 2.680 20 5 HFBDRN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CC(=O)c2ccc(C(F)(F)F)cn2)C1=O ZINC000804903381 1078758832 /nfs/dbraw/zinc/75/88/32/1078758832.db2.gz LDRKQYQPBUVNGZ-KRWDZBQOSA-N 0 0 422.319 2.659 20 5 HFBDRN Cc1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)c(Br)n1C ZINC000804932753 1078788817 /nfs/dbraw/zinc/78/88/17/1078788817.db2.gz JQUOKZFWTLBMPQ-UHFFFAOYSA-N 0 0 410.633 2.820 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000805107017 1078889297 /nfs/dbraw/zinc/88/92/97/1078889297.db2.gz NRMJFNGDOGVKEQ-CYBMUJFWSA-N 0 0 417.459 2.674 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000805117169 1078902324 /nfs/dbraw/zinc/90/23/24/1078902324.db2.gz HLTSROPEMYLZST-HNNXBMFYSA-N 0 0 413.496 2.891 20 5 HFBDRN COCC(C)(C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000805123728 1078922386 /nfs/dbraw/zinc/92/23/86/1078922386.db2.gz 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Cc1cc2c(cc1C)N(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000807108183 1080286849 /nfs/dbraw/zinc/28/68/49/1080286849.db2.gz RVFOGXYTJPAPQZ-UHFFFAOYSA-N 0 0 403.460 2.758 20 5 HFBDRN Cc1cnn(C)c1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001130864097 1080325940 /nfs/dbraw/zinc/32/59/40/1080325940.db2.gz MEULTIDHHKSATJ-UHFFFAOYSA-N 0 0 400.176 2.802 20 5 HFBDRN Cn1cc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000807230213 1080387725 /nfs/dbraw/zinc/38/77/25/1080387725.db2.gz SMFSDQOTZXOJJQ-AATRIKPKSA-N 0 0 415.450 2.806 20 5 HFBDRN NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000747389699 1080472607 /nfs/dbraw/zinc/47/26/07/1080472607.db2.gz JJZFXNCFUXITRJ-CQSZACIVSA-N 0 0 415.402 2.529 20 5 HFBDRN Cc1nc(Br)ccc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000807294209 1080481893 /nfs/dbraw/zinc/48/18/93/1080481893.db2.gz FRAHJOKLFXUEFQ-UHFFFAOYSA-N 0 0 421.251 2.700 20 5 HFBDRN COC(=O)c1cc(Cl)cc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000807297726 1080492891 /nfs/dbraw/zinc/49/28/91/1080492891.db2.gz KFSDAVYNQFGTMG-UHFFFAOYSA-N 0 0 419.821 2.674 20 5 HFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807319530 1080513572 /nfs/dbraw/zinc/51/35/72/1080513572.db2.gz FHZGUUTZOCDNQU-GVSKICRLSA-N 0 0 401.463 2.713 20 5 HFBDRN CNC(=O)CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000807387886 1080584029 /nfs/dbraw/zinc/58/40/29/1080584029.db2.gz FHFODUBVARYHGE-OAHLLOKOSA-N 0 0 418.494 2.738 20 5 HFBDRN C[C@H](O)c1cc(NC(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1F ZINC000807402599 1080598096 /nfs/dbraw/zinc/59/80/96/1080598096.db2.gz ZSKLZLSGYAOUQQ-JTQLQIEISA-N 0 0 419.365 2.526 20 5 HFBDRN CN(C)S(=O)(=O)c1cc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])ccc1F ZINC001130959494 1080636837 /nfs/dbraw/zinc/63/68/37/1080636837.db2.gz HZKUAVUMBKKEAO-UHFFFAOYSA-N 0 0 418.406 2.785 20 5 HFBDRN CC(=O)NCC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000807515242 1080725158 /nfs/dbraw/zinc/72/51/58/1080725158.db2.gz BBLRPQZOXPZDGS-OAHLLOKOSA-N 0 0 418.494 2.596 20 5 HFBDRN C[C@@H]1CC[C@H](C(N)=O)[C@H](C)N1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001130975190 1080768892 /nfs/dbraw/zinc/76/88/92/1080768892.db2.gz STMWUXVAFVMURF-MDZLAQPJSA-N 0 0 416.400 2.917 20 5 HFBDRN Cc1cc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl ZINC000807579417 1080790209 /nfs/dbraw/zinc/79/02/09/1080790209.db2.gz SNBJXZNFRCVYMG-UHFFFAOYSA-N 0 0 416.865 2.522 20 5 HFBDRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164432690 718974520 /nfs/dbraw/zinc/97/45/20/718974520.db2.gz IOCGGAORNAWKOW-DOMZBBRYSA-N 0 0 405.785 2.737 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2CN1Cc1ccncc1 ZINC001164855631 720810126 /nfs/dbraw/zinc/81/01/26/720810126.db2.gz XNJQTDQMCBUXCC-OLZOCXBDSA-N 0 0 423.807 2.678 20 5 HFBDRN Cc1nc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164794342 721527334 /nfs/dbraw/zinc/52/73/34/721527334.db2.gz BZHHVQYTPRSWEI-HLLBOEOZSA-N 0 0 418.885 2.610 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]2CCCO[C@H]12 ZINC001164794417 721528209 /nfs/dbraw/zinc/52/82/09/721528209.db2.gz CZCBQAPJYWLWIJ-JQHSSLGASA-N 0 0 403.870 2.906 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164796160 721528290 /nfs/dbraw/zinc/52/82/90/721528290.db2.gz WSXQNDLYNANOPE-RCCFBDPRSA-N 0 0 403.870 2.906 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@@H]2CN1c1cccnc1 ZINC001165025600 721788820 /nfs/dbraw/zinc/78/88/20/721788820.db2.gz VUKPTKSSXWVWMB-MFKMUULPSA-N 0 0 409.780 2.682 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC001164948591 721951016 /nfs/dbraw/zinc/95/10/16/721951016.db2.gz RQNOHIBDDXKOGZ-UXHICEINSA-N 0 0 409.446 2.837 20 5 HFBDRN O=C1NCCN(Cc2ccccc2)C12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)CC2 ZINC001164942515 721969514 /nfs/dbraw/zinc/96/95/14/721969514.db2.gz CNSNCQZJJAMKQJ-UHFFFAOYSA-N 0 0 415.881 2.614 20 5 HFBDRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3O2)n1 ZINC001164961874 722040969 /nfs/dbraw/zinc/04/09/69/722040969.db2.gz NRHWZGYKVNPTIW-XHVZSJERSA-N 0 0 415.784 2.716 20 5 HFBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCc3onc(Cn4cccn4)c3C2)cnc1Cl ZINC001164956940 722050201 /nfs/dbraw/zinc/05/02/01/722050201.db2.gz FGTRULXDDPSYOS-UHFFFAOYSA-N 0 0 410.768 2.984 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987120 722174979 /nfs/dbraw/zinc/17/49/79/722174979.db2.gz MWPZQVXZQOTFAS-HIFRSBDPSA-N 0 0 424.914 2.673 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(F)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987916 722177961 /nfs/dbraw/zinc/17/79/61/722177961.db2.gz PNRVIRUCMAXACY-NVXWUHKLSA-N 0 0 407.471 2.764 20 5 HFBDRN COc1cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ncc1[N+](=O)[O-] ZINC001164991210 722180248 /nfs/dbraw/zinc/18/02/48/722180248.db2.gz PDDGPBYRNOYSIM-RDJZCZTQSA-N 0 0 419.507 2.633 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001165005051 722261984 /nfs/dbraw/zinc/26/19/84/722261984.db2.gz ULKNTLRAENGODQ-IBGZPJMESA-N 0 0 419.844 2.710 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001165008676 722263238 /nfs/dbraw/zinc/26/32/38/722263238.db2.gz XTFNQUQIXSZHOL-LJQANCHMSA-N 0 0 419.844 2.710 20 5 HFBDRN C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C(=O)OC1CCCC1 ZINC000793001464 1078045078 /nfs/dbraw/zinc/04/50/78/1078045078.db2.gz MZNACTOHFPNDFY-LBPRGKRZSA-N 0 0 405.451 2.821 20 5 HFBDRN Cc1ccc([C@H](C)NC(=O)C(=O)Nc2cccc(Br)n2)cc1[N+](=O)[O-] ZINC000793004027 1078045829 /nfs/dbraw/zinc/04/58/29/1078045829.db2.gz YYZFUFQBXYNLFL-JTQLQIEISA-N 0 0 407.224 2.877 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000793013022 1078048709 /nfs/dbraw/zinc/04/87/09/1078048709.db2.gz BHVNUNDTRMUKBV-AWEZNQCLSA-N 0 0 405.451 2.633 20 5 HFBDRN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000793067294 1078061295 /nfs/dbraw/zinc/06/12/95/1078061295.db2.gz LHCGCXZHLDMJAE-SPLOXXLWSA-N 0 0 419.478 2.627 20 5 HFBDRN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000793068534 1078061590 /nfs/dbraw/zinc/06/15/90/1078061590.db2.gz RTYNSKBYHAROHZ-QVKFZJNVSA-N 0 0 419.478 2.627 20 5 HFBDRN CS(=O)(=O)c1ccc(CS(=O)(=O)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000790602857 1078065233 /nfs/dbraw/zinc/06/52/33/1078065233.db2.gz WMCBITJHMCHENR-UHFFFAOYSA-N 0 0 403.865 2.767 20 5 HFBDRN O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nc[nH]n2)c1 ZINC000793147250 1078090426 /nfs/dbraw/zinc/09/04/26/1078090426.db2.gz MVRSSYCAWYMQMC-MRXNPFEDSA-N 0 0 421.413 2.842 20 5 HFBDRN O=C(COC(=O)Cn1ccc2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000790723861 1078115687 /nfs/dbraw/zinc/11/56/87/1078115687.db2.gz SVOGRMJAXJFHTI-UHFFFAOYSA-N 0 0 415.789 2.745 20 5 HFBDRN COc1cc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc([N+](=O)[O-])c1C ZINC000790770175 1078128418 /nfs/dbraw/zinc/12/84/18/1078128418.db2.gz CEDCNMWMIYQPLZ-DYVFJYSZSA-N 0 0 423.466 2.666 20 5 HFBDRN CC[C@@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000790771137 1078128745 /nfs/dbraw/zinc/12/87/45/1078128745.db2.gz BYGVDYQELJOFFO-TZMCWYRMSA-N 0 0 408.455 2.906 20 5 HFBDRN CC[C@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000790771131 1078128830 /nfs/dbraw/zinc/12/88/30/1078128830.db2.gz BYGVDYQELJOFFO-GXTWGEPZSA-N 0 0 408.455 2.906 20 5 HFBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 ZINC000790783961 1078133592 /nfs/dbraw/zinc/13/35/92/1078133592.db2.gz IQLKTTIRTIUJFH-GFCCVEGCSA-N 0 0 416.390 2.715 20 5 HFBDRN CCn1cc([C@@H](O)CN(Cc2ccccc2)c2ccc(C(=O)NC)cc2[N+](=O)[O-])cn1 ZINC000790792142 1078135921 /nfs/dbraw/zinc/13/59/21/1078135921.db2.gz VATGQSOXNKKSMO-NRFANRHFSA-N 0 0 423.473 2.911 20 5 HFBDRN CCOC(=O)COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000790796201 1078136984 /nfs/dbraw/zinc/13/69/84/1078136984.db2.gz JJQVKCVIEBVICK-UHFFFAOYSA-N 0 0 404.394 2.957 20 5 HFBDRN COc1c(C)cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1C ZINC000790838599 1078141059 /nfs/dbraw/zinc/14/10/59/1078141059.db2.gz PQBATKKTYGZEEI-UHFFFAOYSA-N 0 0 424.435 2.619 20 5 HFBDRN Cc1csc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000790839763 1078142965 /nfs/dbraw/zinc/14/29/65/1078142965.db2.gz PTCDKBJCJDAOGE-JTQLQIEISA-N 0 0 400.438 2.924 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCCc2ccc(O)cc2)c(C)c1[N+](=O)[O-] ZINC000790849825 1078148587 /nfs/dbraw/zinc/14/85/87/1078148587.db2.gz VYUVHNXIYWGVIQ-UHFFFAOYSA-N 0 0 409.420 2.737 20 5 HFBDRN CCO[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000790851328 1078149168 /nfs/dbraw/zinc/14/91/68/1078149168.db2.gz DSLPZWCFKSTLMF-GJZGRUSLSA-N 0 0 413.452 2.746 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000790854642 1078150918 /nfs/dbraw/zinc/15/09/18/1078150918.db2.gz WWQWKQAXVBQFRK-CQSZACIVSA-N 0 0 413.496 2.842 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc3c(c2)CCC(=O)N3)c(C)c1[N+](=O)[O-] ZINC000790822612 1078155994 /nfs/dbraw/zinc/15/59/94/1078155994.db2.gz HVWHKLMKTCOJQC-UHFFFAOYSA-N 0 0 421.387 2.772 20 5 HFBDRN CC(=O)Nc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790824360 1078156942 /nfs/dbraw/zinc/15/69/42/1078156942.db2.gz WEJYNLSNNFVGQS-UHFFFAOYSA-N 0 0 422.419 2.557 20 5 HFBDRN Cc1cc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)on1 ZINC000790826085 1078158101 /nfs/dbraw/zinc/15/81/01/1078158101.db2.gz IDMRRTQSTOSWAV-GFCCVEGCSA-N 0 0 410.408 2.942 20 5 HFBDRN COC(=O)c1ccc(COC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)nc1 ZINC000793382019 1078160787 /nfs/dbraw/zinc/16/07/87/1078160787.db2.gz BCMKHNMZVAUHLB-UHFFFAOYSA-N 0 0 424.413 2.995 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCN(c3ncccc3F)CC2)c1[N+](=O)[O-] ZINC000790876693 1078168801 /nfs/dbraw/zinc/16/88/01/1078168801.db2.gz OOBURBRSMMCETO-UHFFFAOYSA-N 0 0 408.455 2.647 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000790882608 1078169664 /nfs/dbraw/zinc/16/96/64/1078169664.db2.gz AMUVCJYESRBAFJ-QGZVFWFLSA-N 0 0 417.487 2.633 20 5 HFBDRN CCOC(=O)CN(CC(F)(F)F)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790889264 1078172368 /nfs/dbraw/zinc/17/23/68/1078172368.db2.gz LNIMPKAUQXSJCW-UHFFFAOYSA-N 0 0 400.712 2.884 20 5 HFBDRN CCc1cc(CCCOC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000793463119 1078179651 /nfs/dbraw/zinc/17/96/51/1078179651.db2.gz ZZGXNDWMQVXBLV-CQSZACIVSA-N 0 0 407.448 2.987 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1[N+](=O)[O-] ZINC000790864345 1078181495 /nfs/dbraw/zinc/18/14/95/1078181495.db2.gz YPPRMKVBEBWTBE-QZTJIDSGSA-N 0 0 420.487 2.725 20 5 HFBDRN Cc1cc(N2CC[C@H](OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)n(C)n1 ZINC000747124439 1078186618 /nfs/dbraw/zinc/18/66/18/1078186618.db2.gz BYQMSQLVIAIFQN-ZDUSSCGKSA-N 0 0 412.324 2.618 20 5 HFBDRN CC(C)[C@@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N1CCOCC1 ZINC000747124361 1078186812 /nfs/dbraw/zinc/18/68/12/1078186812.db2.gz AJWVAVALNLTLCQ-CQSZACIVSA-N 0 0 404.341 2.654 20 5 HFBDRN CC(C)[C@H](OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)N1CCOCC1 ZINC000747124357 1078186820 /nfs/dbraw/zinc/18/68/20/1078186820.db2.gz AJWVAVALNLTLCQ-AWEZNQCLSA-N 0 0 404.341 2.654 20 5 HFBDRN COC(=O)[C@@]1(c2ccccc2)CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000793601496 1078220881 /nfs/dbraw/zinc/22/08/81/1078220881.db2.gz XJCAYGRCFNDZCZ-QFIPXVFZSA-N 0 0 424.457 2.611 20 5 HFBDRN O=C(NCc1cccnc1)c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000747135392 1078226548 /nfs/dbraw/zinc/22/65/48/1078226548.db2.gz SGSLFFVQWWIWAB-UHFFFAOYSA-N 0 0 420.381 2.901 20 5 HFBDRN COCC1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793738405 1078285727 /nfs/dbraw/zinc/28/57/27/1078285727.db2.gz SJAWRVSPRUVHFZ-UHFFFAOYSA-N 0 0 421.494 2.917 20 5 HFBDRN O=Cc1ccc(OCC(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000793862915 1078326972 /nfs/dbraw/zinc/32/69/72/1078326972.db2.gz KKGCCLKIUHBGNB-OAQYLSRUSA-N 0 0 410.426 2.997 20 5 HFBDRN CCCCCCN(CCN1CCOCC1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000747159876 1078333040 /nfs/dbraw/zinc/33/30/40/1078333040.db2.gz AAWMFBFLOMANGX-UHFFFAOYSA-N 0 0 421.494 2.721 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000793968741 1078349111 /nfs/dbraw/zinc/34/91/11/1078349111.db2.gz AOJWPVLRWMUJDU-OAHLLOKOSA-N 0 0 407.471 2.600 20 5 HFBDRN CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000793945031 1078354261 /nfs/dbraw/zinc/35/42/61/1078354261.db2.gz BPBFIBMFVNRREH-DOTOQJQBSA-N 0 0 419.526 2.924 20 5 HFBDRN O=C(NCc1cccnc1F)c1cc(I)cc([N+](=O)[O-])c1 ZINC000794021373 1078362414 /nfs/dbraw/zinc/36/24/14/1078362414.db2.gz YBDDMVBIXXBIPG-UHFFFAOYSA-N 0 0 401.135 2.664 20 5 HFBDRN Nc1ccc(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000794043469 1078364756 /nfs/dbraw/zinc/36/47/56/1078364756.db2.gz GCOUJGNXTRJJTD-INIZCTEOSA-N 0 0 412.446 2.956 20 5 HFBDRN COc1ccc(Br)c([C@H](CO)N(C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001170443746 1078380039 /nfs/dbraw/zinc/38/00/39/1078380039.db2.gz SKPMKNDOKSMWRB-ZDUSSCGKSA-N 0 0 400.229 2.828 20 5 HFBDRN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000794223821 1078386803 /nfs/dbraw/zinc/38/68/03/1078386803.db2.gz WXKPOXRBWQUTDQ-UEXGIBASSA-N 0 0 417.425 2.946 20 5 HFBDRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)c2)C1=O ZINC000794257040 1078392938 /nfs/dbraw/zinc/39/29/38/1078392938.db2.gz GUIWFKMGTFKSDI-OAHLLOKOSA-N 0 0 416.365 2.586 20 5 HFBDRN O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001129419969 1078448867 /nfs/dbraw/zinc/44/88/67/1078448867.db2.gz LZMAMTWGHNTUEG-MRXNPFEDSA-N 0 0 400.345 2.656 20 5 HFBDRN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001129438695 1078465008 /nfs/dbraw/zinc/46/50/08/1078465008.db2.gz HYBZPQPEONLYIR-HNNXBMFYSA-N 0 0 411.524 2.734 20 5 HFBDRN Cc1ccc(Nc2cnn(CCN3CCOCC3)c2)c([N+](=O)[O-])c1Br ZINC000804429305 1078474067 /nfs/dbraw/zinc/47/40/67/1078474067.db2.gz GUOSIXZDIOQMDI-UHFFFAOYSA-N 0 0 410.272 2.938 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 ZINC000804429770 1078475238 /nfs/dbraw/zinc/47/52/38/1078475238.db2.gz PCPYMSGBTWPHCO-UHFFFAOYSA-N 0 0 402.495 2.711 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)n1 ZINC000804655681 1078487282 /nfs/dbraw/zinc/48/72/82/1078487282.db2.gz SXXIWTHYFDEIKR-OAHLLOKOSA-N 0 0 407.471 2.674 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000804451584 1078490618 /nfs/dbraw/zinc/49/06/18/1078490618.db2.gz PEMHNCGSGPCPMP-HNNXBMFYSA-N 0 0 418.885 2.956 20 5 HFBDRN CC(C)(C)OC(=O)[C@]1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC=CCC1 ZINC001129496260 1078516387 /nfs/dbraw/zinc/51/63/87/1078516387.db2.gz ZNPVYISSWKGPQK-OAQYLSRUSA-N 0 0 416.478 2.707 20 5 HFBDRN COC(=O)c1cccc2c1N(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N2 ZINC001129528207 1078520550 /nfs/dbraw/zinc/52/05/50/1078520550.db2.gz XKJUJIYKBLVYTM-IUIKQTSFSA-N 0 0 409.398 2.859 20 5 HFBDRN COc1cc(C(=O)Nc2cccc3c2CCNC3=O)c([N+](=O)[O-])cc1OC(F)F ZINC001129829609 1078523458 /nfs/dbraw/zinc/52/34/58/1078523458.db2.gz YOGSPNJVLQHSAS-UHFFFAOYSA-N 0 0 407.329 2.743 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21 ZINC001129856202 1078536340 /nfs/dbraw/zinc/53/63/40/1078536340.db2.gz WPAMIEVHZLBMGR-HNNXBMFYSA-N 0 0 415.450 2.582 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@@](C)(CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804694980 1078536831 /nfs/dbraw/zinc/53/68/31/1078536831.db2.gz XZZKYOLGBFYPMJ-IBGZPJMESA-N 0 0 408.455 2.826 20 5 HFBDRN Cn1c2cc(NC[C@@H](O)c3cccc(Br)c3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804696185 1078537626 /nfs/dbraw/zinc/53/76/26/1078537626.db2.gz IUGSEARDFIDJJW-MRXNPFEDSA-N 0 0 421.251 2.693 20 5 HFBDRN Cc1c(Cl)cccc1N1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000804697193 1078538566 /nfs/dbraw/zinc/53/85/66/1078538566.db2.gz KOYOOVREBSDOTG-UHFFFAOYSA-N 0 0 424.910 2.921 20 5 HFBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc([N+](=O)[O-])c4nonc43)cc2)C1=O ZINC000804700637 1078541754 /nfs/dbraw/zinc/54/17/54/1078541754.db2.gz GHVODMSANZDALK-HXUWFJFHSA-N 0 0 422.401 2.968 20 5 HFBDRN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000804493693 1078551192 /nfs/dbraw/zinc/55/11/92/1078551192.db2.gz GJKWGTJGXJNLQD-QWHCGFSZSA-N 0 0 419.482 2.525 20 5 HFBDRN CCO[C@H](C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)n1 ZINC000804518260 1078558940 /nfs/dbraw/zinc/55/89/40/1078558940.db2.gz UMHFCTSAYNKUPN-CQSZACIVSA-N 0 0 403.439 2.600 20 5 HFBDRN Cc1ccc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc12 ZINC001129888585 1078559460 /nfs/dbraw/zinc/55/94/60/1078559460.db2.gz YVFOMEMQHDGYGD-UHFFFAOYSA-N 0 0 403.394 2.969 20 5 HFBDRN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804526841 1078565738 /nfs/dbraw/zinc/56/57/38/1078565738.db2.gz LTVIUOWDQQULBH-OCCSQVGLSA-N 0 0 419.869 2.838 20 5 HFBDRN C[C@@H]1CCCN(c2cc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)ccn2)C1 ZINC001129609761 1078580046 /nfs/dbraw/zinc/58/00/46/1078580046.db2.gz AMQBOVHYDIMHSL-MRXNPFEDSA-N 0 0 410.478 2.584 20 5 HFBDRN Cc1cc(S(=O)(=O)NCCNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c(C)s1 ZINC000804562912 1078597528 /nfs/dbraw/zinc/59/75/28/1078597528.db2.gz HZIATVRMKYUYKC-UHFFFAOYSA-N 0 0 400.438 2.572 20 5 HFBDRN Cc1ccc(N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000747212246 1078603353 /nfs/dbraw/zinc/60/33/53/1078603353.db2.gz ZPENTTBYYFOBJO-OAHLLOKOSA-N 0 0 406.483 2.761 20 5 HFBDRN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000804568325 1078603404 /nfs/dbraw/zinc/60/34/04/1078603404.db2.gz ZMFKLZMCSRAWNO-NEPJUHHUSA-N 0 0 403.439 2.983 20 5 HFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(c2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000804792204 1078624551 /nfs/dbraw/zinc/62/45/51/1078624551.db2.gz PCKSMEDRXMFALA-LBPRGKRZSA-N 0 0 412.162 2.993 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000804589936 1078625474 /nfs/dbraw/zinc/62/54/74/1078625474.db2.gz WZCVFDBDGIPWMY-UHFFFAOYSA-N 0 0 400.391 2.670 20 5 HFBDRN C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1C(=O)OC(C)(C)C ZINC001129950197 1078625484 /nfs/dbraw/zinc/62/54/84/1078625484.db2.gz DMJFDBABPBRCLL-LRDDRELGSA-N 0 0 406.435 2.948 20 5 HFBDRN C[C@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1csnn1 ZINC001129950104 1078625489 /nfs/dbraw/zinc/62/54/89/1078625489.db2.gz LRBPUNDRGDNDPY-LURJTMIESA-N 0 0 405.173 2.969 20 5 HFBDRN 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CC(C)(C)OC(=O)N1CCN(C(=O)CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000788838995 1077316177 /nfs/dbraw/zinc/31/61/77/1077316177.db2.gz MKWGVZPUKLVIMT-UHFFFAOYSA-N 0 0 415.450 2.634 20 5 HFBDRN Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)N2CCOCC2)o1 ZINC000791196282 1077320734 /nfs/dbraw/zinc/32/07/34/1077320734.db2.gz RRCWPUOGTUDVLV-GOSISDBHSA-N 0 0 420.441 2.505 20 5 HFBDRN O=C(CCNC(=O)c1ccco1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791173211 1077328013 /nfs/dbraw/zinc/32/80/13/1077328013.db2.gz BXBRNBXAVRQHIS-UHFFFAOYSA-N 0 0 422.235 2.655 20 5 HFBDRN C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N1CCSCC1 ZINC000791233595 1077338964 /nfs/dbraw/zinc/33/89/64/1077338964.db2.gz DCFHEQBFQLNNPN-NSHDSACASA-N 0 0 414.325 2.679 20 5 HFBDRN CCn1c2ccccc2nc1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000746989489 1077339238 /nfs/dbraw/zinc/33/92/38/1077339238.db2.gz JXZVYVFCDAHXKP-UHFFFAOYSA-N 0 0 403.464 2.827 20 5 HFBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)c1ccccc1NS(C)(=O)=O 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COC(=O)CN(Cc1cccc(Br)c1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000789865378 1077842914 /nfs/dbraw/zinc/84/29/14/1077842914.db2.gz JUNBPCRKQXEGTE-UHFFFAOYSA-N 0 0 422.235 2.755 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCc1nnc(C(C)C)o1 ZINC000747070423 1077845096 /nfs/dbraw/zinc/84/50/96/1077845096.db2.gz PORBXCISLCMGFW-LLVKDONJSA-N 0 0 406.395 2.613 20 5 HFBDRN CCOC(=O)N1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000789914075 1077845761 /nfs/dbraw/zinc/84/57/61/1077845761.db2.gz LCRBXGGFKDKLLC-UHFFFAOYSA-N 0 0 419.356 2.730 20 5 HFBDRN O=C(COC(=O)c1cc[nH]c1C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000792435486 1077851756 /nfs/dbraw/zinc/85/17/56/1077851756.db2.gz FUQQLDVFDDLLHA-UHFFFAOYSA-N 0 0 401.375 2.757 20 5 HFBDRN C[C@@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000792446328 1077852837 /nfs/dbraw/zinc/85/28/37/1077852837.db2.gz ZHYQBCZXQMAAKP-GFCCVEGCSA-N 0 0 417.384 2.565 20 5 HFBDRN CCOC(=O)N1CCC(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000789967828 1077875401 /nfs/dbraw/zinc/87/54/01/1077875401.db2.gz SCYRBHKNRGDIGX-UHFFFAOYSA-N 0 0 419.356 2.730 20 5 HFBDRN COC(=O)[C@H](CCc1ccccc1)Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170175666 1077900634 /nfs/dbraw/zinc/90/06/34/1077900634.db2.gz UQUXWDWZQRBYEW-ZDUSSCGKSA-N 0 0 410.224 2.577 20 5 HFBDRN O=[N+]([O-])c1ccc([C@@H](O)CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3F)n2)cc1 ZINC000792569812 1077909576 /nfs/dbraw/zinc/90/95/76/1077909576.db2.gz YDFACDMICBPTAB-SFHVURJKSA-N 0 0 423.397 2.707 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000790020306 1077916308 /nfs/dbraw/zinc/91/63/08/1077916308.db2.gz KWRITDBOVBFTSV-GFCCVEGCSA-N 0 0 418.313 2.523 20 5 HFBDRN COCn1nc(C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)c1C ZINC000790021291 1077916551 /nfs/dbraw/zinc/91/65/51/1077916551.db2.gz HGFVRWGHKMAUKU-UHFFFAOYSA-N 0 0 420.241 2.542 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)C1CCCCC1 ZINC000790026428 1077918478 /nfs/dbraw/zinc/91/84/78/1077918478.db2.gz MQYDDGYIWNYQIM-AWEZNQCLSA-N 0 0 421.313 2.885 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)c2ccc(SC)c(NC(C)=O)c2)c1[N+](=O)[O-] ZINC000790072918 1077922713 /nfs/dbraw/zinc/92/27/13/1077922713.db2.gz FOUOBGPVHVHFHA-UHFFFAOYSA-N 0 0 406.420 2.600 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000790073020 1077922970 /nfs/dbraw/zinc/92/29/70/1077922970.db2.gz HZOULRIHKOYPLG-UHFFFAOYSA-N 0 0 402.285 2.574 20 5 HFBDRN O=C([C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N(c1ccccc1)[C@H]1CCOC1 ZINC000792605188 1077932444 /nfs/dbraw/zinc/93/24/44/1077932444.db2.gz OVTQSIZOZFWWSQ-PBHICJAKSA-N 0 0 413.405 2.909 20 5 HFBDRN O=C([C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N(c1ccccc1)[C@@H]1CCOC1 ZINC000792605195 1077932474 /nfs/dbraw/zinc/93/24/74/1077932474.db2.gz OVTQSIZOZFWWSQ-WMLDXEAASA-N 0 0 413.405 2.909 20 5 HFBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000746877890 1077944508 /nfs/dbraw/zinc/94/45/08/1077944508.db2.gz QFEHUJSEGJNFFF-CFJPQMKISA-N 0 0 404.444 2.743 20 5 HFBDRN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000792621571 1077944971 /nfs/dbraw/zinc/94/49/71/1077944971.db2.gz LOQCMQCMMTZMOE-GOSISDBHSA-N 0 0 422.397 2.770 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCCC[C@@H](C)O)cc1 ZINC000790087420 1077945192 /nfs/dbraw/zinc/94/51/92/1077945192.db2.gz TUVQJEBAOKKIHA-CQSZACIVSA-N 0 0 422.459 2.562 20 5 HFBDRN COc1ccc(C[C@@H](C)N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)O3)c([N+](=O)[O-])c1 ZINC001170335919 1077947235 /nfs/dbraw/zinc/94/72/35/1077947235.db2.gz QZEFRDVALXZIHO-OLMNPRSZSA-N 0 0 421.494 2.855 20 5 HFBDRN COC[C@H]1c2nnn(CC3CC3)c2CCN1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170336410 1077947397 /nfs/dbraw/zinc/94/73/97/1077947397.db2.gz XMRFLGVUARWCFF-VLIAUNLRSA-N 0 0 415.494 2.782 20 5 HFBDRN CCOC(=O)c1cnc2n1CCN([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])[C@H]2C ZINC001170354889 1077948696 /nfs/dbraw/zinc/94/86/96/1077948696.db2.gz RKVJHIIQYRSVSN-KBPBESRZSA-N 0 0 402.451 2.984 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCN(C(=O)Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC001170354869 1077948759 /nfs/dbraw/zinc/94/87/59/1077948759.db2.gz QWYFBXRJIOUCHR-HNNXBMFYSA-N 0 0 403.504 2.983 20 5 HFBDRN CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170354907 1077949017 /nfs/dbraw/zinc/94/90/17/1077949017.db2.gz RSCWACQUGOBFDZ-HLLBOEOZSA-N 0 0 416.478 2.987 20 5 HFBDRN NC(=O)c1cccc(CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)c1 ZINC001170358114 1077949761 /nfs/dbraw/zinc/94/97/61/1077949761.db2.gz MAXLWJDXWVWFDE-UHFFFAOYSA-N 0 0 402.838 2.950 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339403 1077952352 /nfs/dbraw/zinc/95/23/52/1077952352.db2.gz AZZVBYNBHHLPDZ-VGOFRKELSA-N 0 0 419.522 2.884 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCc3onc(C(=O)N4CCCC4)c3C2)c([N+](=O)[O-])c1 ZINC001170340857 1077953145 /nfs/dbraw/zinc/95/31/45/1077953145.db2.gz GWSREHFMUNVDSH-CQSZACIVSA-N 0 0 414.462 2.817 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CC[C@@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)c([N+](=O)[O-])c1 ZINC001170340519 1077953163 /nfs/dbraw/zinc/95/31/63/1077953163.db2.gz MTFUOTXWHZJXKS-QVKFZJNVSA-N 0 0 418.494 2.622 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170351643 1077956307 /nfs/dbraw/zinc/95/63/07/1077956307.db2.gz GNJWNXQXXKVZHJ-HOCLYGCPSA-N 0 0 409.483 2.760 20 5 HFBDRN CC(C)(C)OC(=O)N1CCc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2CC1 ZINC000792666141 1077961009 /nfs/dbraw/zinc/96/10/09/1077961009.db2.gz YNLHQIVEFSYPSD-UHFFFAOYSA-N 0 0 400.435 2.536 20 5 HFBDRN COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)N(C)CCC3)c(C)c([N+](=O)[O-])c1 ZINC000792660705 1077962477 /nfs/dbraw/zinc/96/24/77/1077962477.db2.gz IIEJLJZKDIXWMM-UHFFFAOYSA-N 0 0 419.459 2.873 20 5 HFBDRN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](CC)C(=O)OCC ZINC000792660778 1077962651 /nfs/dbraw/zinc/96/26/51/1077962651.db2.gz LADSXZDZMYFYBA-QGZVFWFLSA-N 0 0 407.467 2.625 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cc(Cl)ccc3[N+](=O)[O-])cc2CC1 ZINC000790170668 1077964560 /nfs/dbraw/zinc/96/45/60/1077964560.db2.gz WJFFUMIPQMFABJ-UHFFFAOYSA-N 0 0 424.862 2.963 20 5 HFBDRN Cc1c(CNC(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000790230640 1077980964 /nfs/dbraw/zinc/98/09/64/1077980964.db2.gz MFQLGZVRWNUONB-CYBMUJFWSA-N 0 0 406.464 2.835 20 5 HFBDRN Cc1nn(C)c(C)c1NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000790293413 1077987926 /nfs/dbraw/zinc/98/79/26/1077987926.db2.gz YLIOAJZEQFVMRC-UHFFFAOYSA-N 0 0 401.192 2.864 20 5 HFBDRN CC(C)(C)OC(=O)NC[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000790266953 1077990235 /nfs/dbraw/zinc/99/02/35/1077990235.db2.gz WNYHZYHITMNSKR-KRWDZBQOSA-N 0 0 420.510 2.778 20 5 HFBDRN Cc1cc(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000790352470 1078002250 /nfs/dbraw/zinc/00/22/50/1078002250.db2.gz UTHVKHXPKPCRRM-UHFFFAOYSA-N 0 0 409.395 2.664 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H](OCc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000790334816 1078006055 /nfs/dbraw/zinc/00/60/55/1078006055.db2.gz RNARMJVMAGXDJG-CQSZACIVSA-N 0 0 411.867 2.931 20 5 HFBDRN CS(=O)(=O)C1(C(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC1 ZINC000792872438 1078012138 /nfs/dbraw/zinc/01/21/38/1078012138.db2.gz JEZBMJVVDGGYSY-UHFFFAOYSA-N 0 0 418.427 2.720 20 5 HFBDRN O=C(COC(=O)c1cnc(OCC2CC2)cn1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792842577 1078012802 /nfs/dbraw/zinc/01/28/02/1078012802.db2.gz QRYIQRZKRVZSGU-UHFFFAOYSA-N 0 0 406.782 2.623 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)Cn1ncc2ccccc21 ZINC000792850520 1078014293 /nfs/dbraw/zinc/01/42/93/1078014293.db2.gz HMBOVFBRIRVIKK-ZDUSSCGKSA-N 0 0 412.402 2.771 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)c1cncc(F)c1)CC2 ZINC000790373128 1078016934 /nfs/dbraw/zinc/01/69/34/1078016934.db2.gz VQXJYLIEQUEUSX-UHFFFAOYSA-N 0 0 416.228 2.638 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000790375626 1078018277 /nfs/dbraw/zinc/01/82/77/1078018277.db2.gz WJXHYXFKNZFXPX-SFTDATJTSA-N 0 0 416.430 2.669 20 5 HFBDRN Cc1n[nH]c(C)c1NC(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792896961 1078018989 /nfs/dbraw/zinc/01/89/89/1078018989.db2.gz IWKVUALSYRFBIF-UHFFFAOYSA-N 0 0 408.256 2.694 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(C[C@@H](O)COCc1ccco1)CC2 ZINC000792899325 1078019282 /nfs/dbraw/zinc/01/92/82/1078019282.db2.gz SKFLUTYDNHDDIE-GFCCVEGCSA-N 0 0 411.252 2.886 20 5 HFBDRN Cc1c(C(=O)N[C@H](C(C)C)[C@@H](O)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000790406346 1078019740 /nfs/dbraw/zinc/01/97/40/1078019740.db2.gz YYCLIPIDJZZDAR-QUCCMNQESA-N 0 0 409.446 2.972 20 5 HFBDRN O=c1[nH]cc(Br)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000790401842 1078026388 /nfs/dbraw/zinc/02/63/88/1078026388.db2.gz BYAUFNGAVIYJSO-UHFFFAOYSA-N 0 0 408.617 2.912 20 5 HFBDRN COc1cccc(/C=C(\C(=O)OCc2ccc([N+](=O)[O-])cc2F)n2nnnc2C)c1 ZINC000746908560 1078026891 /nfs/dbraw/zinc/02/68/91/1078026891.db2.gz KZNNOFWZRTUPNR-GIJQJNRQSA-N 0 0 413.365 2.779 20 5 HFBDRN COc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000792955734 1078034691 /nfs/dbraw/zinc/03/46/91/1078034691.db2.gz XQDHFYHUUAZFJF-KRWDZBQOSA-N 0 0 415.446 2.689 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000790457181 1078037038 /nfs/dbraw/zinc/03/70/38/1078037038.db2.gz LMSJSSIWEGXVFW-OZVIIMIRSA-N 0 0 404.872 2.514 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])nc1Br ZINC000792966569 1078037554 /nfs/dbraw/zinc/03/75/54/1078037554.db2.gz HCMRSCOEAMIQLI-UHFFFAOYSA-N 0 0 407.224 2.658 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000790458336 1078037980 /nfs/dbraw/zinc/03/79/80/1078037980.db2.gz SFEMDLBKTCRGFW-MQIPJXDCSA-N 0 0 404.872 2.514 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000792991924 1078042998 /nfs/dbraw/zinc/04/29/98/1078042998.db2.gz HLYMWXNEIRGQMQ-MRXNPFEDSA-N 0 0 421.400 2.959 20 5 HFBDRN C[C@@H](COCC1CC1)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001130586613 1079560722 /nfs/dbraw/zinc/56/07/22/1079560722.db2.gz YWPYQEMAXRIBCD-NSHDSACASA-N 0 0 400.273 2.725 20 5 HFBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000806367129 1079653482 /nfs/dbraw/zinc/65/34/82/1079653482.db2.gz JJXPYMNTYADRSO-YPMHNXCESA-N 0 0 413.272 2.684 20 5 HFBDRN COC(=O)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H](OC)C1 ZINC001130631662 1079713702 /nfs/dbraw/zinc/71/37/02/1079713702.db2.gz VSVJCGJRUOERSM-BYCMXARLSA-N 0 0 400.378 2.550 20 5 HFBDRN COC(=O)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H](OC)C1 ZINC001130631663 1079713864 /nfs/dbraw/zinc/71/38/64/1079713864.db2.gz VSVJCGJRUOERSM-KCPJHIHWSA-N 0 0 400.378 2.550 20 5 HFBDRN COC(=O)c1cc(NC(=O)N2CCCC[C@@H]2COC(=O)N(C)C)c(C)c([N+](=O)[O-])c1 ZINC000806460534 1079734553 /nfs/dbraw/zinc/73/45/53/1079734553.db2.gz SCHOQWATFXYHPF-CQSZACIVSA-N 0 0 422.438 2.774 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000806493806 1079745033 /nfs/dbraw/zinc/74/50/33/1079745033.db2.gz FHNWOSIBFIMNQG-MRXNPFEDSA-N 0 0 408.455 2.804 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000806493805 1079745112 /nfs/dbraw/zinc/74/51/12/1079745112.db2.gz FHNWOSIBFIMNQG-INIZCTEOSA-N 0 0 408.455 2.804 20 5 HFBDRN COc1ccc(CNC(=O)N2CCCC[C@H]2COC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000806497752 1079749124 /nfs/dbraw/zinc/74/91/24/1079749124.db2.gz ROPJVRDITLUIHU-HNNXBMFYSA-N 0 0 408.455 2.802 20 5 HFBDRN CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000806508802 1079759834 /nfs/dbraw/zinc/75/98/34/1079759834.db2.gz VJYOTQBEZVEWHS-HNNXBMFYSA-N 0 0 405.329 2.953 20 5 HFBDRN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000806610103 1079853175 /nfs/dbraw/zinc/85/31/75/1079853175.db2.gz URCCQKLRTMKQIH-ZDUSSCGKSA-N 0 0 414.553 2.674 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000806776715 1079994414 /nfs/dbraw/zinc/99/44/14/1079994414.db2.gz OOOKKEBWZZYQGX-INIZCTEOSA-N 0 0 408.455 2.626 20 5 HFBDRN CC1(C)C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)c2cc(F)ccc2O1 ZINC001130748871 1080015083 /nfs/dbraw/zinc/01/50/83/1080015083.db2.gz YHLMRNXDACTGQS-HNNXBMFYSA-N 0 0 412.381 2.742 20 5 HFBDRN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nccc3c2cccc3[N+](=O)[O-])C1=O ZINC001130761675 1080029705 /nfs/dbraw/zinc/02/97/05/1080029705.db2.gz XEWSTBDGUFMGPX-NRFANRHFSA-N 0 0 419.397 2.549 20 5 HFBDRN CCOC(=O)c1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000805269826 1080039016 /nfs/dbraw/zinc/03/90/16/1080039016.db2.gz ZYNAAOZUPHXIDR-LRDDRELGSA-N 0 0 421.450 2.899 20 5 HFBDRN C[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H](C)c1ccccc1 ZINC000806869181 1080070864 /nfs/dbraw/zinc/07/08/64/1080070864.db2.gz MKXRSZFNKAXVMQ-SJORKVTESA-N 0 0 410.474 2.552 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000806937757 1080145596 /nfs/dbraw/zinc/14/55/96/1080145596.db2.gz SWABNKRIQFISLK-UHFFFAOYSA-N 0 0 424.866 2.854 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@H](CC)CO1 ZINC001130808123 1080177224 /nfs/dbraw/zinc/17/72/24/1080177224.db2.gz UBRCKCYSXXTMPZ-ZIAGYGMSSA-N 0 0 405.480 2.904 20 5 HFBDRN CCOc1cc(NC(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)ccc1[N+](=O)[O-] ZINC001130798601 1080185368 /nfs/dbraw/zinc/18/53/68/1080185368.db2.gz HJVMCQGYQNMFPY-CQSZACIVSA-N 0 0 424.504 2.987 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000805274456 1080216116 /nfs/dbraw/zinc/21/61/16/1080216116.db2.gz FANPHLPJHSVKQN-UHFFFAOYSA-N 0 0 406.345 2.810 20 5 HFBDRN COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001130828412 1080242184 /nfs/dbraw/zinc/24/21/84/1080242184.db2.gz GPUSHTTZXMDQPB-LJQANCHMSA-N 0 0 424.413 2.775 20 5 HFBDRN NC(=O)c1cc(C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)nn1-c1ccccc1 ZINC001130837404 1080261282 /nfs/dbraw/zinc/26/12/82/1080261282.db2.gz QHYSSFOZMZUTOT-UHFFFAOYSA-N 0 0 405.414 2.863 20 5 HFBDRN Cc1ccc(C2=CCN(C(=O)C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1 ZINC000807172566 1080327164 /nfs/dbraw/zinc/32/71/64/1080327164.db2.gz GUSWZLJXQUSNPB-UHFFFAOYSA-N 0 0 419.441 2.712 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC001130894933 1080426433 /nfs/dbraw/zinc/42/64/33/1080426433.db2.gz ZMENRINUGRUIRI-KRWDZBQOSA-N 0 0 420.443 2.585 20 5 HFBDRN Cc1c(Br)cc(C(=O)NCCC2(CS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC001130895677 1080432324 /nfs/dbraw/zinc/43/23/24/1080432324.db2.gz UKDCPTDZIVPAPR-UHFFFAOYSA-N 0 0 419.297 2.610 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807298142 1080491736 /nfs/dbraw/zinc/49/17/36/1080491736.db2.gz WDUODQKFLJOCQF-UHFFFAOYSA-N 0 0 406.782 2.796 20 5 HFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)C(=O)Nc4ccc(C(C)(C)C)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000807319532 1080513722 /nfs/dbraw/zinc/51/37/22/1080513722.db2.gz FHZGUUTZOCDNQU-VCMWWZGJSA-N 0 0 401.463 2.713 20 5 HFBDRN CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nccc3ccc([N+](=O)[O-])cc32)n1 ZINC001130956723 1080630633 /nfs/dbraw/zinc/63/06/33/1080630633.db2.gz DSFUAORBRSRFQN-UHFFFAOYSA-N 0 0 406.807 2.847 20 5 HFBDRN CCOc1cc(NC(=O)C(=O)Nc2ccnn2CC2CC2)c([N+](=O)[O-])cc1OCC ZINC000807475024 1080726966 /nfs/dbraw/zinc/72/69/66/1080726966.db2.gz WOQJUZYMPAUVLR-UHFFFAOYSA-N 0 0 417.422 2.576 20 5 HFBDRN CC(C)Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n(C)n1 ZINC000747402011 1080754507 /nfs/dbraw/zinc/75/45/07/1080754507.db2.gz YBVZEMHQWKMOEM-LBPRGKRZSA-N 0 0 403.414 2.658 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 ZINC001130990341 1080784443 /nfs/dbraw/zinc/78/44/43/1080784443.db2.gz RRNRJENTEABHLH-SFHVURJKSA-N 0 0 419.441 2.938 20 5 HFBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000426764734 1126089316 /nfs/dbraw/zinc/08/93/16/1126089316.db2.gz ANANNUBRYORBSR-INIZCTEOSA-N 0 0 419.800 2.754 20 5 HFBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000426787223 1126090572 /nfs/dbraw/zinc/09/05/72/1126090572.db2.gz CBJASHHXMXPJHJ-KRWDZBQOSA-N 0 0 419.800 2.754 20 5 HFBDRN CSc1cc2c(cc1C[NH2+][C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-])OCCO2 ZINC000426791690 1126090624 /nfs/dbraw/zinc/09/06/24/1126090624.db2.gz GENDGVSUAYHQGX-HNNXBMFYSA-N 0 0 404.444 2.873 20 5 HFBDRN O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000426819271 1126092679 /nfs/dbraw/zinc/09/26/79/1126092679.db2.gz VENIMUYQEYBMAC-ZDUSSCGKSA-N 0 0 423.219 2.872 20 5 HFBDRN COc1ccc(-c2ccc(C[NH2+][C@@H](Cn3cc(Cl)cn3)C(=O)[O-])o2)c([N+](=O)[O-])c1 ZINC001321114527 1126171449 /nfs/dbraw/zinc/17/14/49/1126171449.db2.gz VGHLZHHNHNUVDB-HNNXBMFYSA-N 0 0 420.809 2.956 20 5 HFBDRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164434562 718974423 /nfs/dbraw/zinc/97/44/23/718974423.db2.gz TUZLECYGLFCUFL-IUODEOHRSA-N 0 0 405.785 2.737 20 5 HFBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164653819 719314670 /nfs/dbraw/zinc/31/46/70/719314670.db2.gz ZQIJXKNMQKNZMH-CLFYSBASSA-N 0 0 413.526 2.924 20 5 HFBDRN O=C1C[C@H]2[C@H](CCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)N1Cc1cccnc1 ZINC001164691001 719764607 /nfs/dbraw/zinc/76/46/07/719764607.db2.gz JYISLYVTCKOTIR-GJZGRUSLSA-N 0 0 423.807 2.963 20 5 HFBDRN COc1cnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c([N+](=O)[O-])c1 ZINC001164694733 719891490 /nfs/dbraw/zinc/89/14/90/719891490.db2.gz DMWOORNGNDEKCH-UHFFFAOYSA-N 0 0 404.492 2.931 20 5 HFBDRN CSc1nc(Cl)nc(N2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164785044 721413344 /nfs/dbraw/zinc/41/33/44/721413344.db2.gz MEQVDCNPDZJRMF-UWVGGRQHSA-N 0 0 412.928 2.785 20 5 HFBDRN CN(C)/C=C\c1cc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164780973 721424231 /nfs/dbraw/zinc/42/42/31/721424231.db2.gz CFMJIMYKVVXSEJ-ARMDTRKZSA-N 0 0 400.508 2.547 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164794419 721527851 /nfs/dbraw/zinc/52/78/51/721527851.db2.gz CZCBQAPJYWLWIJ-KBAYOESNSA-N 0 0 403.870 2.906 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H]2CCCO[C@H]12 ZINC001164807217 721549627 /nfs/dbraw/zinc/54/96/27/721549627.db2.gz QOPOZEJGJWHQMV-HBMCJLEFSA-N 0 0 420.473 2.801 20 5 HFBDRN Cn1ccc(CN2CCOCC23CCN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)n1 ZINC001164933464 721904760 /nfs/dbraw/zinc/90/47/60/721904760.db2.gz LWHQAKLLUHITRM-UHFFFAOYSA-N 0 0 422.489 2.748 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc(Cl)c(C)cc3[N+](=O)[O-])C[C@@H]21 ZINC001164940568 721941713 /nfs/dbraw/zinc/94/17/13/721941713.db2.gz BQJZALIJBGKXDA-HOTGVXAUSA-N 0 0 407.858 2.646 20 5 HFBDRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC001164944714 721969235 /nfs/dbraw/zinc/96/92/35/721969235.db2.gz IYVLWLLRYNFCSY-UHFFFAOYSA-N 0 0 415.881 2.614 20 5 HFBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccccc2)C1 ZINC001263627409 939828315 /nfs/dbraw/zinc/82/83/15/939828315.db2.gz JLYIZPBETSKSIE-RUCTVCJSSA-N 0 0 409.442 2.844 20 5 HFBDRN Cc1ccc(NCCCNC(=O)N(CCO)Cc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000793043882 1078054994 /nfs/dbraw/zinc/05/49/94/1078054994.db2.gz QAGCVPMXYDEFGS-UHFFFAOYSA-N 0 0 421.885 2.958 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000790556522 1078055397 /nfs/dbraw/zinc/05/53/97/1078055397.db2.gz SVFOUBABUQIDLE-LBPRGKRZSA-N 0 0 419.796 2.774 20 5 HFBDRN COCCn1cc2c(n1)[C@@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CCC2 ZINC000790564757 1078056903 /nfs/dbraw/zinc/05/69/03/1078056903.db2.gz OQVKBWBGDMOSGB-HNNXBMFYSA-N 0 0 410.833 2.967 20 5 HFBDRN 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/nfs/dbraw/zinc/79/63/47/1076796347.db2.gz BFSRCMUOUXSNOX-UHFFFAOYSA-N 0 0 400.391 2.746 20 5 HFBDRN COC(=O)c1ccc(F)c(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000746685444 1076818784 /nfs/dbraw/zinc/81/87/84/1076818784.db2.gz OZZPTXXBIPNNAB-UHFFFAOYSA-N 0 0 408.407 2.874 20 5 HFBDRN O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787510571 1076830631 /nfs/dbraw/zinc/83/06/31/1076830631.db2.gz WZYCTXMLPGOFDC-UHFFFAOYSA-N 0 0 409.358 2.592 20 5 HFBDRN CCOC(CCNC(=O)c1cc([N+](=O)[O-])ccc1I)OCC ZINC000787549707 1076856187 /nfs/dbraw/zinc/85/61/87/1076856187.db2.gz VRLNYHFQTLLHQP-UHFFFAOYSA-N 0 0 422.219 2.718 20 5 HFBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787553279 1076856651 /nfs/dbraw/zinc/85/66/51/1076856651.db2.gz LRJIZOBNTCJCKL-KRWDZBQOSA-N 0 0 405.357 2.803 20 5 HFBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787553281 1076856726 /nfs/dbraw/zinc/85/67/26/1076856726.db2.gz 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C[C@H]1[C@@H](C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CCN1C(=O)OC(C)(C)C ZINC000787995801 1077023019 /nfs/dbraw/zinc/02/30/19/1077023019.db2.gz OIUGRYYJCRLWDH-FZMZJTMJSA-N 0 0 416.438 2.964 20 5 HFBDRN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCc1nccn1-c1ccccc1 ZINC000787981612 1077031529 /nfs/dbraw/zinc/03/15/29/1077031529.db2.gz BYNOSIFBYKBSPW-UHFFFAOYSA-N 0 0 414.805 2.907 20 5 HFBDRN COC(=O)CCCCCS(=O)(=O)Oc1cc([N+](=O)[O-])ccc1Br ZINC000788073701 1077052733 /nfs/dbraw/zinc/05/27/33/1077052733.db2.gz CZRQNMXDLRCDDW-UHFFFAOYSA-N 0 0 410.242 2.799 20 5 HFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H]2CCCN(Cc3ncccn3)C2)cc1OC ZINC000788072050 1077052778 /nfs/dbraw/zinc/05/27/78/1077052778.db2.gz KHJGCMNPSWECAX-AWEZNQCLSA-N 0 0 416.434 2.614 20 5 HFBDRN O=C(COc1ccnc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788097579 1077057798 /nfs/dbraw/zinc/05/77/98/1077057798.db2.gz GXNFDJFGLCZDDU-UHFFFAOYSA-N 0 0 410.352 2.736 20 5 HFBDRN O=[N+]([O-])c1cc(CSc2nnnn2C[C@H]2CCCO2)ccc1Br ZINC000788098674 1077058067 /nfs/dbraw/zinc/05/80/67/1077058067.db2.gz JSEPFKSJUFDUJI-SNVBAGLBSA-N 0 0 400.258 2.815 20 5 HFBDRN CN(C)c1cccc(S(=O)(=O)N(C)C)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000788123335 1077060071 /nfs/dbraw/zinc/06/00/71/1077060071.db2.gz PATWCJYETKHWSH-JLHYYAGUSA-N 0 0 418.475 2.563 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)c1F ZINC000788126622 1077060486 /nfs/dbraw/zinc/06/04/86/1077060486.db2.gz KUSKJWLOCJAXSR-UHFFFAOYSA-N 0 0 421.450 2.886 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)[C@@H](C)N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000788142735 1077063677 /nfs/dbraw/zinc/06/36/77/1077063677.db2.gz YAOPJEICGFEVQP-CQSZACIVSA-N 0 0 413.430 2.926 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H](C)N1CCc2ccccc21 ZINC000788141016 1077063718 /nfs/dbraw/zinc/06/37/18/1077063718.db2.gz DGWZVGAGQUVXSN-KGLIPLIRSA-N 0 0 413.430 2.925 20 5 HFBDRN COc1ccc(F)c(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c1OC ZINC000788178382 1077067580 /nfs/dbraw/zinc/06/75/80/1077067580.db2.gz IPRMBKNAHPHQJX-UHFFFAOYSA-N 0 0 420.349 2.906 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(F)ccc(OC)c2OC)c([N+](=O)[O-])c1 ZINC000788178935 1077067702 /nfs/dbraw/zinc/06/77/02/1077067702.db2.gz RQDNDBLACOTYHD-SNVBAGLBSA-N 0 0 422.365 2.944 20 5 HFBDRN CC(C)(O)CONC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000788220325 1077082077 /nfs/dbraw/zinc/08/20/77/1077082077.db2.gz UZZWDSPGLIDYKS-UHFFFAOYSA-N 0 0 405.373 2.649 20 5 HFBDRN COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1OC ZINC000746736912 1077088185 /nfs/dbraw/zinc/08/81/85/1077088185.db2.gz BUQMKYZARMRGBL-LLVKDONJSA-N 0 0 417.370 2.811 20 5 HFBDRN Cc1nn(C)c(-n2ccnc2C)c1C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000788292963 1077100032 /nfs/dbraw/zinc/10/00/32/1077100032.db2.gz KECHVIIDGCPLLC-UHFFFAOYSA-N 0 0 406.406 2.773 20 5 HFBDRN O=C(c1ccc(F)cc1)C1CCN(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 ZINC000788380496 1077136074 /nfs/dbraw/zinc/13/60/74/1077136074.db2.gz ZHKMSYDWDRETQS-UHFFFAOYSA-N 0 0 411.389 2.882 20 5 HFBDRN CS(=O)(=O)c1cc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1Cl ZINC000788479094 1077173538 /nfs/dbraw/zinc/17/35/38/1077173538.db2.gz NVEKAKFXJPGKOM-OAHLLOKOSA-N 0 0 423.834 2.783 20 5 HFBDRN O=C(COc1cc([N+](=O)[O-])ccc1I)OCC(F)(F)F ZINC000788509291 1077186320 /nfs/dbraw/zinc/18/63/20/1077186320.db2.gz RGQNYQUTVPVWOF-UHFFFAOYSA-N 0 0 405.066 2.684 20 5 HFBDRN O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000788519348 1077190133 /nfs/dbraw/zinc/19/01/33/1077190133.db2.gz KSXWRWAVNVUJRO-UHFFFAOYSA-N 0 0 414.361 2.977 20 5 HFBDRN CN(C)c1ccc(C(=O)c2ccccc2C(=O)NOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000788571278 1077209356 /nfs/dbraw/zinc/20/93/56/1077209356.db2.gz OSQTZLQUDASYSN-AWEZNQCLSA-N 0 0 413.430 2.590 20 5 HFBDRN Cn1ncnc1-c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000790923402 1077233226 /nfs/dbraw/zinc/23/32/26/1077233226.db2.gz UABZTLNIAMDNBC-UHFFFAOYSA-N 0 0 411.399 2.706 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)ccc1[N+](=O)[O-] ZINC000790925511 1077234122 /nfs/dbraw/zinc/23/41/22/1077234122.db2.gz RPHMUIZEZIWYPZ-UHFFFAOYSA-N 0 0 421.427 2.966 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2cc(OC)c(OC)cc2F)ccc1[N+](=O)[O-] ZINC000790924994 1077234143 /nfs/dbraw/zinc/23/41/43/1077234143.db2.gz ZLDQICSYIBVUNL-UHFFFAOYSA-N 0 0 401.368 2.918 20 5 HFBDRN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000790926249 1077235043 /nfs/dbraw/zinc/23/50/43/1077235043.db2.gz IVKSUJCAKCUJFM-DZGCQCFKSA-N 0 0 406.863 2.744 20 5 HFBDRN COCCN([C@@H]1CC[C@H](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790935705 1077239516 /nfs/dbraw/zinc/23/95/16/1077239516.db2.gz OLQUZKNTNRQDAI-SMDDNHRTSA-N 0 0 415.468 2.946 20 5 HFBDRN CCCCNC(=O)[C@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790906891 1077244488 /nfs/dbraw/zinc/24/44/88/1077244488.db2.gz HKJWLVZUCPVIEH-CQSZACIVSA-N 0 0 403.863 2.748 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCC2(CO)CC3(CCC3)C2)c1 ZINC000788688942 1077251474 /nfs/dbraw/zinc/25/14/74/1077251474.db2.gz QJTSZAZUQVTNAU-UHFFFAOYSA-N 0 0 419.297 2.578 20 5 HFBDRN CCOC(=O)N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(Br)c2C)C1 ZINC000790963041 1077256073 /nfs/dbraw/zinc/25/60/73/1077256073.db2.gz OMWXETOWZQVAIG-JTQLQIEISA-N 0 0 400.229 2.626 20 5 HFBDRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000790998094 1077264330 /nfs/dbraw/zinc/26/43/30/1077264330.db2.gz GAMLQDXFLUPEKT-CQSZACIVSA-N 0 0 412.899 2.711 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000788710907 1077267657 /nfs/dbraw/zinc/26/76/57/1077267657.db2.gz KDHPNGHQSBUYFM-DZGCQCFKSA-N 0 0 409.395 2.747 20 5 HFBDRN Cc1cc(F)cc(-n2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nn2)c1 ZINC000788727823 1077273586 /nfs/dbraw/zinc/27/35/86/1077273586.db2.gz ZKEJYOQNLYIDMA-UHFFFAOYSA-N 0 0 410.409 2.585 20 5 HFBDRN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000791028810 1077275298 /nfs/dbraw/zinc/27/52/98/1077275298.db2.gz JCKCAPCZQUGYQN-NWDGAFQWSA-N 0 0 403.322 2.699 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000791032343 1077277221 /nfs/dbraw/zinc/27/72/21/1077277221.db2.gz VMFODXXLDPKSLU-UHFFFAOYSA-N 0 0 421.498 2.821 20 5 HFBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])s3)cc2)C1=O ZINC000791121931 1077293593 /nfs/dbraw/zinc/29/35/93/1077293593.db2.gz WDOJYUGZTFVPGZ-LJQANCHMSA-N 0 0 414.443 2.811 20 5 HFBDRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000791125199 1077294457 /nfs/dbraw/zinc/29/44/57/1077294457.db2.gz DUFAVWINHBNMPP-OAQYLSRUSA-N 0 0 424.457 2.952 20 5 HFBDRN CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)CSc2ccc([N+](=O)[O-])cc2)o1 ZINC000791119942 1077304132 /nfs/dbraw/zinc/30/41/32/1077304132.db2.gz UGNTXMCGJUHWBO-NSHDSACASA-N 0 0 406.416 2.731 20 5 HFBDRN C[C@@H]1OCC[C@]12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C[C@@H](C)O2 ZINC000791153475 1077310414 /nfs/dbraw/zinc/31/04/14/1077310414.db2.gz XPQBTCZNYYUYTK-LSYCYVAJSA-N 0 0 417.231 2.905 20 5 HFBDRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000791135878 1077316429 /nfs/dbraw/zinc/31/64/29/1077316429.db2.gz HZVSTWGEUFQPEP-NRFANRHFSA-N 0 0 424.457 2.952 20 5 HFBDRN CC(=O)c1ccc(S(=O)(=O)CC(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000746985130 1077320605 /nfs/dbraw/zinc/32/06/05/1077320605.db2.gz HEQLQYDZIMDWIJ-UHFFFAOYSA-N 0 0 413.354 2.593 20 5 HFBDRN COc1c(Br)c([N+](=O)[O-])c(N[C@H](C)c2ncnn2C)cc1[N+](=O)[O-] ZINC000788863403 1077323442 /nfs/dbraw/zinc/32/34/42/1077323442.db2.gz JTOHWRMZFBUGIL-ZCFIWIBFSA-N 0 0 401.177 2.576 20 5 HFBDRN CCOC(=O)c1cc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc([N+](=O)[O-])c1 ZINC000791166594 1077323592 /nfs/dbraw/zinc/32/35/92/1077323592.db2.gz YHQUOBGDFXYRJM-UHFFFAOYSA-N 0 0 417.393 2.989 20 5 HFBDRN CC(C)NC(=O)c1ccc(N(C)[C@H]2CCN(Cc3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000788868834 1077324850 /nfs/dbraw/zinc/32/48/50/1077324850.db2.gz BHIPJWRBJAHOQT-IBGZPJMESA-N 0 0 410.474 2.970 20 5 HFBDRN O=C(CNC(=O)c1ccsc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791174837 1077328001 /nfs/dbraw/zinc/32/80/01/1077328001.db2.gz PUVZMNQFKRNHBI-UHFFFAOYSA-N 0 0 424.276 2.734 20 5 HFBDRN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791174236 1077328233 /nfs/dbraw/zinc/32/82/33/1077328233.db2.gz JXXCZFMTGVDBCJ-JTQLQIEISA-N 0 0 412.284 2.793 20 5 HFBDRN C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C[C@H](C)[S@@]1=O ZINC000791176231 1077328960 /nfs/dbraw/zinc/32/89/60/1077328960.db2.gz NARAWGUQXFYAPM-KIAZABQESA-N 0 0 409.689 2.992 20 5 HFBDRN C[C@@]12CCN(C(=O)CSc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]1C2(Cl)Cl ZINC000791184005 1077331472 /nfs/dbraw/zinc/33/14/72/1077331472.db2.gz LNNHUGVBOVSHHA-SWLSCSKDSA-N 0 0 418.302 2.828 20 5 HFBDRN 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ZINC000788963475 1077364379 /nfs/dbraw/zinc/36/43/79/1077364379.db2.gz CBLUPNHSZWHBME-UHFFFAOYSA-N 0 0 415.446 2.904 20 5 HFBDRN COC(=O)COc1ccc(CNc2ccc(N3CCO[C@H](C)C3)cc2)cc1[N+](=O)[O-] ZINC000788969128 1077366198 /nfs/dbraw/zinc/36/61/98/1077366198.db2.gz LLLBAEFAFPIIAI-OAHLLOKOSA-N 0 0 415.446 2.984 20 5 HFBDRN O=Cc1ccc(OCC(=O)OCc2ncc(Br)s2)c([N+](=O)[O-])c1 ZINC000788943559 1077372278 /nfs/dbraw/zinc/37/22/78/1077372278.db2.gz WZGCICQDWYOSEE-UHFFFAOYSA-N 0 0 401.194 2.749 20 5 HFBDRN C[C@H](OC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000791329660 1077375832 /nfs/dbraw/zinc/37/58/32/1077375832.db2.gz IJOUNQIMHOYTLG-QMMMGPOBSA-N 0 0 401.301 2.775 20 5 HFBDRN COc1ccc(OC)c2c1CN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[C@@H]2O ZINC000791313809 1077383096 /nfs/dbraw/zinc/38/30/96/1077383096.db2.gz MNAIFPVCYLLEBV-INIZCTEOSA-N 0 0 419.409 2.507 20 5 HFBDRN COCCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000747000938 1077383201 /nfs/dbraw/zinc/38/32/01/1077383201.db2.gz 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ZINC000789056500 1077403804 /nfs/dbraw/zinc/40/38/04/1077403804.db2.gz FMYIUWLEMMAMGH-UHFFFAOYSA-N 0 0 413.365 2.727 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)N2CCN(Cc3ccsc3)CC2)cc1[N+](=O)[O-] ZINC000747013192 1077412870 /nfs/dbraw/zinc/41/28/70/1077412870.db2.gz VMUWMRXLDQHASU-UHFFFAOYSA-N 0 0 417.487 2.720 20 5 HFBDRN COc1cc(COC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000789114634 1077419316 /nfs/dbraw/zinc/41/93/16/1077419316.db2.gz GWMBASZICTWVIW-MRXNPFEDSA-N 0 0 407.444 2.865 20 5 HFBDRN CS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000791479840 1077420820 /nfs/dbraw/zinc/42/08/20/1077420820.db2.gz YZTFWRXWSUXMLE-UHFFFAOYSA-N 0 0 414.779 2.917 20 5 HFBDRN CC1=C(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)n2ncnc2N1C ZINC000791467483 1077440997 /nfs/dbraw/zinc/44/09/97/1077440997.db2.gz WDHOVYXZBXQPLT-LBPRGKRZSA-N 0 0 410.390 2.870 20 5 HFBDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791540837 1077458914 /nfs/dbraw/zinc/45/89/14/1077458914.db2.gz WXNJASSZWAYVSH-LBPRGKRZSA-N 0 0 403.347 2.861 20 5 HFBDRN O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000789202594 1077459425 /nfs/dbraw/zinc/45/94/25/1077459425.db2.gz GCEBZIJZEGNYKD-RTBURBONSA-N 0 0 412.398 2.725 20 5 HFBDRN O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789202593 1077459444 /nfs/dbraw/zinc/45/94/44/1077459444.db2.gz GCEBZIJZEGNYKD-RBUKOAKNSA-N 0 0 412.398 2.725 20 5 HFBDRN CCC(CC)C(=O)N1CCC(NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000746790093 1077462782 /nfs/dbraw/zinc/46/27/82/1077462782.db2.gz OHXIIULEXSHUCL-UHFFFAOYSA-N 0 0 424.885 2.730 20 5 HFBDRN COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(OC)c1O ZINC000789259901 1077478882 /nfs/dbraw/zinc/47/88/82/1077478882.db2.gz MVDALTALJKPJRJ-UHFFFAOYSA-N 0 0 424.793 2.695 20 5 HFBDRN COc1cc(CC(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OC)c1O ZINC000789261051 1077480532 /nfs/dbraw/zinc/48/05/32/1077480532.db2.gz DQDXYEMZFHBVJR-UHFFFAOYSA-N 0 0 415.358 2.654 20 5 HFBDRN Cn1cc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)c(-c2ccoc2)n1 ZINC000789266557 1077489161 /nfs/dbraw/zinc/48/91/61/1077489161.db2.gz DSFDEWVGLPCTMP-UHFFFAOYSA-N 0 0 412.358 2.743 20 5 HFBDRN C[C@@H](OC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000789293244 1077501220 /nfs/dbraw/zinc/50/12/20/1077501220.db2.gz NOFYGYYGGDGXFF-CHWSQXEVSA-N 0 0 419.434 2.722 20 5 HFBDRN COc1ccc(OCCOC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC000789294840 1077501930 /nfs/dbraw/zinc/50/19/30/1077501930.db2.gz MNKJNJFJXNOQDP-AWEZNQCLSA-N 0 0 422.434 2.782 20 5 HFBDRN C[C@H](OC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789296290 1077503878 /nfs/dbraw/zinc/50/38/78/1077503878.db2.gz RDYVHFJJLIDFAK-SWLSCSKDSA-N 0 0 419.434 2.722 20 5 HFBDRN O=C(OCc1ccccc1)[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645164 1077508443 /nfs/dbraw/zinc/50/84/43/1077508443.db2.gz DBGMCHWZSJQCIZ-FPOVZHCZSA-N 0 0 414.458 2.932 20 5 HFBDRN O=C(CCCn1c(=O)oc2ccccc21)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791645003 1077508765 /nfs/dbraw/zinc/50/87/65/1077508765.db2.gz XOKLFXJWGURPFT-UHFFFAOYSA-N 0 0 401.331 2.935 20 5 HFBDRN COc1cc(C(=O)O[C@H](C)C(=O)NCCc2ccc(F)cc2)cc([N+](=O)[O-])c1C ZINC000791691423 1077529957 /nfs/dbraw/zinc/52/99/57/1077529957.db2.gz HBMDILODJDJJIX-CYBMUJFWSA-N 0 0 404.394 2.955 20 5 HFBDRN COc1cc(C(=O)OCC(=O)c2cc3c(cc2F)NC(=O)CC3)cc([N+](=O)[O-])c1C ZINC000791693376 1077530466 /nfs/dbraw/zinc/53/04/66/1077530466.db2.gz XWTSVZRELDZHCT-UHFFFAOYSA-N 0 0 416.361 2.975 20 5 HFBDRN COC(=O)c1ccc(OC(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000789424091 1077553533 /nfs/dbraw/zinc/55/35/33/1077553533.db2.gz GEEXOPJFQRXJRR-ZDUSSCGKSA-N 0 0 406.391 2.544 20 5 HFBDRN Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc12 ZINC000746813224 1077555867 /nfs/dbraw/zinc/55/58/67/1077555867.db2.gz NXTHGDIDPBDFCW-UHFFFAOYSA-N 0 0 401.810 2.502 20 5 HFBDRN Cc1c(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnn1-c1ccc(C)cc1 ZINC000791762091 1077555972 /nfs/dbraw/zinc/55/59/72/1077555972.db2.gz PNQJEDAPWLFMQF-UHFFFAOYSA-N 0 0 411.374 2.986 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000791765957 1077557348 /nfs/dbraw/zinc/55/73/48/1077557348.db2.gz JHKABAOCEUKLMH-AWEZNQCLSA-N 0 0 403.347 2.834 20 5 HFBDRN O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])C(F)(F)C1CCOCC1 ZINC000791803946 1077561773 /nfs/dbraw/zinc/56/17/73/1077561773.db2.gz APJUDYHXAKNHSI-CQSZACIVSA-N 0 0 412.389 2.805 20 5 HFBDRN Cc1c(C(=O)OCc2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000791807417 1077562356 /nfs/dbraw/zinc/56/23/56/1077562356.db2.gz AMOHORFSIKAEDW-UHFFFAOYSA-N 0 0 408.388 2.880 20 5 HFBDRN COc1cc(N2CCC(OC(=O)c3cnn(C)c3SC)CC2)ccc1[N+](=O)[O-] ZINC000791808799 1077562638 /nfs/dbraw/zinc/56/26/38/1077562638.db2.gz DHLXUYXJHQUYLQ-UHFFFAOYSA-N 0 0 406.464 2.885 20 5 HFBDRN O=C(NCCOC(=O)c1c[nH]nc1-c1ccoc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000789413567 1077566065 /nfs/dbraw/zinc/56/60/65/1077566065.db2.gz ZNABCHJXMQOJAJ-UHFFFAOYSA-N 0 0 404.766 2.818 20 5 HFBDRN Cc1cnc(COC(=O)c2cccc(N3CCCS3(=O)=O)c2)c(C)c1[N+](=O)[O-] ZINC000789441697 1077574891 /nfs/dbraw/zinc/57/48/91/1077574891.db2.gz FKJHUWWCNBMUJB-UHFFFAOYSA-N 0 0 405.432 2.504 20 5 HFBDRN O=C(OCCO[C@@H]1CCCCO1)c1ccc(I)c([N+](=O)[O-])c1 ZINC000791839989 1077581060 /nfs/dbraw/zinc/58/10/60/1077581060.db2.gz NFSPEQAPTBVROY-CYBMUJFWSA-N 0 0 421.187 2.899 20 5 HFBDRN CC1CCC(N2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2=O)CC1 ZINC000791885234 1077585758 /nfs/dbraw/zinc/58/57/58/1077585758.db2.gz TYZZNPYPSIQWOS-HNFVBEJKSA-N 0 0 405.407 2.973 20 5 HFBDRN COC(=O)c1cc(NC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC000791878365 1077595782 /nfs/dbraw/zinc/59/57/82/1077595782.db2.gz JPUKEVYUAMFSOO-SNVBAGLBSA-N 0 0 410.427 2.725 20 5 HFBDRN CC(C)(C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000791929307 1077597178 /nfs/dbraw/zinc/59/71/78/1077597178.db2.gz IDRKJFBYNCECKH-UHFFFAOYSA-N 0 0 405.428 2.702 20 5 HFBDRN C[C@@]12CCN(CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1C2(Cl)Cl ZINC000789478653 1077608625 /nfs/dbraw/zinc/60/86/25/1077608625.db2.gz KDWBQTCIVCKUTJ-XJKSGUPXSA-N 0 0 413.261 2.837 20 5 HFBDRN CCc1cccc(OC)c1COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000791914931 1077609443 /nfs/dbraw/zinc/60/94/43/1077609443.db2.gz CPEQISAVXHZXMQ-UHFFFAOYSA-N 0 0 422.459 2.578 20 5 HFBDRN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789531599 1077627230 /nfs/dbraw/zinc/62/72/30/1077627230.db2.gz VSUMUQVBLLAYRG-GOSISDBHSA-N 0 0 407.430 2.878 20 5 HFBDRN O=C1CN(CN2CCC(CC(F)(F)F)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000789532547 1077628035 /nfs/dbraw/zinc/62/80/35/1077628035.db2.gz WTICYPBTCXBQAB-UHFFFAOYSA-N 0 0 400.357 2.985 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000791965618 1077637363 /nfs/dbraw/zinc/63/73/63/1077637363.db2.gz VACIIDJIUMMDII-GOSISDBHSA-N 0 0 419.365 2.759 20 5 HFBDRN CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC[C@H]1CCC(C)(C)O1 ZINC000792023373 1077655049 /nfs/dbraw/zinc/65/50/49/1077655049.db2.gz COXKKJXUAWAQDM-CVEARBPZSA-N 0 0 410.492 2.947 20 5 HFBDRN CCOC(=O)[C@H](NCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000789582073 1077665583 /nfs/dbraw/zinc/66/55/83/1077665583.db2.gz VBXXUPNKGUHMLZ-IUODEOHRSA-N 0 0 401.257 2.805 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000792114323 1077702632 /nfs/dbraw/zinc/70/26/32/1077702632.db2.gz XZKATNFZMBAFGW-UHFFFAOYSA-N 0 0 414.823 2.726 20 5 HFBDRN COc1ccc(OC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)cc1[N+](=O)[O-] ZINC000792120730 1077702842 /nfs/dbraw/zinc/70/28/42/1077702842.db2.gz TZFYDAJENVVKRH-FKIZINRSSA-N 0 0 419.434 2.646 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1[N+](=O)[O-] ZINC000792118389 1077703740 /nfs/dbraw/zinc/70/37/40/1077703740.db2.gz NGQGWPFKHAPIFN-UHFFFAOYSA-N 0 0 408.432 2.852 20 5 HFBDRN COc1ccc(OC(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)cc1[N+](=O)[O-] ZINC000792117352 1077703840 /nfs/dbraw/zinc/70/38/40/1077703840.db2.gz GTDULQYATKFVFM-JTQLQIEISA-N 0 0 418.431 2.584 20 5 HFBDRN O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000789664213 1077709241 /nfs/dbraw/zinc/70/92/41/1077709241.db2.gz YNLMYRUMTCPUKH-YGRLFVJLSA-N 0 0 400.313 2.690 20 5 HFBDRN O=C(O[C@@H]([C@H]1CCCOC1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000789664210 1077709292 /nfs/dbraw/zinc/70/92/92/1077709292.db2.gz YNLMYRUMTCPUKH-HZMBPMFUSA-N 0 0 400.313 2.690 20 5 HFBDRN Cc1cc(F)ccc1-n1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1 ZINC000792087649 1077710316 /nfs/dbraw/zinc/71/03/16/1077710316.db2.gz OGASPMGHDFTBBT-UHFFFAOYSA-N 0 0 401.310 2.888 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000792091129 1077712416 /nfs/dbraw/zinc/71/24/16/1077712416.db2.gz RUVKIFUPEMSKMR-LLVKDONJSA-N 0 0 421.312 2.878 20 5 HFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000792132223 1077717736 /nfs/dbraw/zinc/71/77/36/1077717736.db2.gz LUEVEXGAJXEIGB-HNNXBMFYSA-N 0 0 419.455 2.993 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 ZINC000792133815 1077717993 /nfs/dbraw/zinc/71/79/93/1077717993.db2.gz GUYIWEPEWKBHBN-UHFFFAOYSA-N 0 0 415.782 2.831 20 5 HFBDRN O=C(O[C@@H]([C@@H]1CCCOC1)C(F)(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000789649296 1077718997 /nfs/dbraw/zinc/71/89/97/1077718997.db2.gz BTUCQZKATKFRKX-RISCZKNCSA-N 0 0 400.313 2.690 20 5 HFBDRN COc1ccc(OC(=O)c2cnn(CCO[C@H]3CCCCO3)c2C)cc1[N+](=O)[O-] ZINC000792122516 1077728520 /nfs/dbraw/zinc/72/85/20/1077728520.db2.gz ZMHAFOYWVUSRSN-SFHVURJKSA-N 0 0 405.407 2.871 20 5 HFBDRN COc1ccc(OC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000792122517 1077728539 /nfs/dbraw/zinc/72/85/39/1077728539.db2.gz ZOWIOQVRZSHBKN-UHFFFAOYSA-N 0 0 413.430 2.638 20 5 HFBDRN COC(=O)c1cc(C(=O)Nc2ccc(Br)nc2OC)cc([N+](=O)[O-])c1 ZINC000789698820 1077733927 /nfs/dbraw/zinc/73/39/27/1077733927.db2.gz PXHHRNANLVDVAO-UHFFFAOYSA-N 0 0 410.180 2.800 20 5 HFBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCc1ncc(C(F)(F)F)s1 ZINC000789669263 1077734626 /nfs/dbraw/zinc/73/46/26/1077734626.db2.gz VEYGKAZDIJSWNX-UHFFFAOYSA-N 0 0 418.353 2.613 20 5 HFBDRN CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789713139 1077751994 /nfs/dbraw/zinc/75/19/94/1077751994.db2.gz NRQKKGVIJDMXGS-HXUWFJFHSA-N 0 0 406.442 2.809 20 5 HFBDRN Cc1nn(CCC(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c(C)c1[N+](=O)[O-] ZINC000789719530 1077757401 /nfs/dbraw/zinc/75/74/01/1077757401.db2.gz RVWJWDNZKZOUNF-QGZVFWFLSA-N 0 0 413.478 2.645 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC[C@H]1CN1C(=O)N[C@@](C)(c2cccc([N+](=O)[O-])c2)C1=O ZINC000747062858 1077759228 /nfs/dbraw/zinc/75/92/28/1077759228.db2.gz UGLLRTIBSPUQFW-YWZLYKJASA-N 0 0 418.450 2.761 20 5 HFBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC(COc2ccc(Cl)nc2)CC1 ZINC000789787325 1077795234 /nfs/dbraw/zinc/79/52/34/1077795234.db2.gz WRHGKABQNKDJGJ-UHFFFAOYSA-N 0 0 418.837 2.899 20 5 HFBDRN Cc1cc(Br)ncc1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000792314894 1077803433 /nfs/dbraw/zinc/80/34/33/1077803433.db2.gz ZINXYSXYYSXNMJ-UHFFFAOYSA-N 0 0 407.224 2.624 20 5 HFBDRN COc1ccc(NC(=O)CN2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])c1 ZINC000792386359 1077830092 /nfs/dbraw/zinc/83/00/92/1077830092.db2.gz VXZOOKRCENGXKX-UHFFFAOYSA-N 0 0 404.398 2.619 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000792421868 1077850424 /nfs/dbraw/zinc/85/04/24/1077850424.db2.gz YPEGLBVTMVYMES-CYBMUJFWSA-N 0 0 408.455 2.603 20 5 HFBDRN Cc1n[nH]nc1C(=O)N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000789897316 1077854283 /nfs/dbraw/zinc/85/42/83/1077854283.db2.gz XDWXQLVLKCZFCJ-UHFFFAOYSA-N 0 0 412.475 2.708 20 5 HFBDRN COc1cc(-c2nnc(S/C=C/c3ccc([N+](=O)[O-])o3)n2N)cc(OC)c1OC ZINC000789954893 1077867614 /nfs/dbraw/zinc/86/76/14/1077867614.db2.gz MJBUSDVLXQZUQZ-VOTSOKGWSA-N 0 0 419.419 2.949 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000790041256 1077908290 /nfs/dbraw/zinc/90/82/90/1077908290.db2.gz CNPYLMVVAKBPKN-CQSZACIVSA-N 0 0 423.329 2.987 20 5 HFBDRN CCCCN(CCCO)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000790042252 1077908976 /nfs/dbraw/zinc/90/89/76/1077908976.db2.gz HXDCTBVJGKIOET-UHFFFAOYSA-N 0 0 409.302 2.839 20 5 HFBDRN COC(=O)CCN(C(C)C)S(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000790020896 1077916787 /nfs/dbraw/zinc/91/67/87/1077916787.db2.gz OSOVJOKECDWCPA-UHFFFAOYSA-N 0 0 423.285 2.628 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000790072714 1077922378 /nfs/dbraw/zinc/92/23/78/1077922378.db2.gz CKJXACCAQYPBFB-UHFFFAOYSA-N 0 0 415.175 2.577 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCCC[C@H]1O ZINC000790049231 1077928817 /nfs/dbraw/zinc/92/88/17/1077928817.db2.gz MLZKTLXTOLFNCY-BXUZGUMPSA-N 0 0 421.313 2.837 20 5 HFBDRN O=C([C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N(c1ccccc1)[C@@H]1CCOC1 ZINC000792605192 1077932477 /nfs/dbraw/zinc/93/24/77/1077932477.db2.gz OVTQSIZOZFWWSQ-RHSMWYFYSA-N 0 0 413.405 2.909 20 5 HFBDRN COC[C@H](N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001170305564 1077933467 /nfs/dbraw/zinc/93/34/67/1077933467.db2.gz NERHEWNTRHUNNE-KXBFYZLASA-N 0 0 402.447 2.882 20 5 HFBDRN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746877976 1077944082 /nfs/dbraw/zinc/94/40/82/1077944082.db2.gz QZARFPNNJVWYAC-CFJPQMKISA-N 0 0 400.460 2.902 20 5 HFBDRN Cc1nc(CN2CCN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2)oc1C ZINC000772747672 1077946026 /nfs/dbraw/zinc/94/60/26/1077946026.db2.gz POCNFWMCTWZTFQ-UHFFFAOYSA-N 0 0 407.858 2.609 20 5 HFBDRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C)c([N+](=O)[O-])c1 ZINC000792625750 1077946086 /nfs/dbraw/zinc/94/60/86/1077946086.db2.gz GRSNCUZUUNWUAE-UHFFFAOYSA-N 0 0 417.330 2.622 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170334746 1077946781 /nfs/dbraw/zinc/94/67/81/1077946781.db2.gz ICMYDJKJVVIEBI-OAHLLOKOSA-N 0 0 421.494 2.856 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCn3c(COc4ccccn4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170341117 1077953077 /nfs/dbraw/zinc/95/30/77/1077953077.db2.gz NLGTYVAUGAJATI-HNNXBMFYSA-N 0 0 424.461 2.616 20 5 HFBDRN CCNC(=O)Nc1cccc(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1C ZINC000790122869 1077957943 /nfs/dbraw/zinc/95/79/43/1077957943.db2.gz LWYIRNVEAJGOFG-UHFFFAOYSA-N 0 0 400.391 2.875 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(F)c2)c1OC ZINC000790169260 1077964481 /nfs/dbraw/zinc/96/44/81/1077964481.db2.gz KEIFZBLXQQGLIH-UHFFFAOYSA-N 0 0 419.770 2.950 20 5 HFBDRN COC(=O)c1cc(NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)c(C)c([N+](=O)[O-])c1 ZINC000792736543 1077980480 /nfs/dbraw/zinc/98/04/80/1077980480.db2.gz LTLJPLZTYGTWHP-UHFFFAOYSA-N 0 0 414.374 2.599 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3c(Cl)cccc3[N+](=O)[O-])cc2CC1 ZINC000790235868 1077982580 /nfs/dbraw/zinc/98/25/80/1077982580.db2.gz NVRKFMMVJBNQSJ-UHFFFAOYSA-N 0 0 424.862 2.963 20 5 HFBDRN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000790295922 1077988386 /nfs/dbraw/zinc/98/83/86/1077988386.db2.gz PQVUKISIQNRKNH-IRXDYDNUSA-N 0 0 412.398 2.691 20 5 HFBDRN O=C(NCCNc1cc([N+](=O)[O-])cc(Br)n1)c1ccc(Cl)cn1 ZINC001170419623 1077989653 /nfs/dbraw/zinc/98/96/53/1077989653.db2.gz LEMRFFGGMRHKCZ-UHFFFAOYSA-N 0 0 400.620 2.643 20 5 HFBDRN C[C@@H](OC(=O)[C@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792785720 1077991426 /nfs/dbraw/zinc/99/14/26/1077991426.db2.gz PNTXVTDYVPVRMC-ODXCJYRJSA-N 0 0 402.378 2.524 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000790272975 1077992445 /nfs/dbraw/zinc/99/24/45/1077992445.db2.gz SFAHYPSJJWFLRI-ZDUSSCGKSA-N 0 0 400.815 2.582 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000790273516 1077993072 /nfs/dbraw/zinc/99/30/72/1077993072.db2.gz JUDGJCQTVXJWNT-UHFFFAOYSA-N 0 0 406.483 2.706 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000790274883 1077993479 /nfs/dbraw/zinc/99/34/79/1077993479.db2.gz GANOUQAVUMKJBN-UHFFFAOYSA-N 0 0 405.842 2.962 20 5 HFBDRN COc1ccc(NC(=O)COC(=O)c2cc(Cc3ccccc3)[nH]n2)c([N+](=O)[O-])c1 ZINC000792799407 1077995169 /nfs/dbraw/zinc/99/51/69/1077995169.db2.gz GVIBWBGWVCOPKM-UHFFFAOYSA-N 0 0 410.386 2.713 20 5 HFBDRN Cc1sc(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)cc1[N+](=O)[O-] ZINC000790347729 1078000619 /nfs/dbraw/zinc/00/06/19/1078000619.db2.gz MTBUBCZCUJNSKE-UHFFFAOYSA-N 0 0 415.424 2.725 20 5 HFBDRN O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000792810653 1078001628 /nfs/dbraw/zinc/00/16/28/1078001628.db2.gz YXZHCPXVRGVOSV-UHFFFAOYSA-N 0 0 400.778 2.871 20 5 HFBDRN O=C(OCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000792822205 1078005728 /nfs/dbraw/zinc/00/57/28/1078005728.db2.gz UWWUIKGOPRNGPQ-QGZVFWFLSA-N 0 0 405.428 2.868 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000790380200 1078009520 /nfs/dbraw/zinc/00/95/20/1078009520.db2.gz NZSDNNKNLAUOJK-OCCSQVGLSA-N 0 0 423.274 2.586 20 5 HFBDRN C[C@H](Cn1ncc2ccccc21)C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000792848102 1078014015 /nfs/dbraw/zinc/01/40/15/1078014015.db2.gz FGVWENXQDGKSBA-CQSZACIVSA-N 0 0 408.414 2.713 20 5 HFBDRN CCCCN(C)S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790371385 1078017083 /nfs/dbraw/zinc/01/70/83/1078017083.db2.gz REGMPODXEUEAKR-UHFFFAOYSA-N 0 0 406.302 2.692 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000790375619 1078018107 /nfs/dbraw/zinc/01/81/07/1078018107.db2.gz WJXHYXFKNZFXPX-NHCUHLMSSA-N 0 0 416.430 2.669 20 5 HFBDRN CC(C)S(=O)(=O)CCCN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792897946 1078019058 /nfs/dbraw/zinc/01/90/58/1078019058.db2.gz ONKGNWNAZQGNFK-UHFFFAOYSA-N 0 0 405.314 2.929 20 5 HFBDRN Cc1nn(C)c(C)c1NC(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792899270 1078019305 /nfs/dbraw/zinc/01/93/05/1078019305.db2.gz QWSSPASZHMZGHG-UHFFFAOYSA-N 0 0 422.283 2.704 20 5 HFBDRN Cc1c(C(=O)N[C@@H](C(C)C)[C@@H](O)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000790406344 1078019604 /nfs/dbraw/zinc/01/96/04/1078019604.db2.gz YYCLIPIDJZZDAR-ICSRJNTNSA-N 0 0 409.446 2.972 20 5 HFBDRN O=C(NCCNc1nccc(Br)c1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001170422019 1078020707 /nfs/dbraw/zinc/02/07/07/1078020707.db2.gz LLFVYOPZIZQDFY-UHFFFAOYSA-N 0 0 400.620 2.643 20 5 HFBDRN CN(Cc1ccco1)C(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792915590 1078024699 /nfs/dbraw/zinc/02/46/99/1078024699.db2.gz TZXUHKRIBGMFKA-UHFFFAOYSA-N 0 0 408.252 2.967 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H]2CCCO2)ccc1Br ZINC000790402380 1078026824 /nfs/dbraw/zinc/02/68/24/1078026824.db2.gz GSLJLAQKNISRHQ-OCCSQVGLSA-N 0 0 405.270 2.689 20 5 HFBDRN CC(C)(O)c1cnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)s1 ZINC000792929653 1078027759 /nfs/dbraw/zinc/02/77/59/1078027759.db2.gz YWWQKNCLRGFUPV-UHFFFAOYSA-N 0 0 406.449 2.800 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccn(Cc2ccccc2)n1 ZINC000790438577 1078031321 /nfs/dbraw/zinc/03/13/21/1078031321.db2.gz NIXVXOQJJWUYSC-UHFFFAOYSA-N 0 0 404.423 2.766 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCCOC3)cc1Br ZINC000790448899 1078034823 /nfs/dbraw/zinc/03/48/23/1078034823.db2.gz BLCKWBMEZIJNJI-CQSZACIVSA-N 0 0 405.270 2.549 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000790457176 1078037033 /nfs/dbraw/zinc/03/70/33/1078037033.db2.gz 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CC[C@@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001130694317 1079878602 /nfs/dbraw/zinc/87/86/02/1079878602.db2.gz ISFIWEQUEBFPTD-GXSJLCMTSA-N 0 0 404.204 2.839 20 5 HFBDRN C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000806645171 1079900960 /nfs/dbraw/zinc/90/09/60/1079900960.db2.gz VZLNDXONDAZIKK-KDOFPFPSSA-N 0 0 401.444 2.990 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000806776510 1079994382 /nfs/dbraw/zinc/99/43/82/1079994382.db2.gz LPJJEAKZSXBISS-INIZCTEOSA-N 0 0 408.455 2.672 20 5 HFBDRN CON(C)S(=O)(=O)c1cccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])c1 ZINC001130761763 1080029663 /nfs/dbraw/zinc/02/96/63/1080029663.db2.gz ZDLASADWNMKIBI-UHFFFAOYSA-N 0 0 416.415 2.577 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCOc2c(F)ccc(F)c21 ZINC001130765767 1080061753 /nfs/dbraw/zinc/06/17/53/1080061753.db2.gz HAJMKGQFNQCVOW-UHFFFAOYSA-N 0 0 419.340 2.987 20 5 HFBDRN O=C(NCc1ncc2c(n1)CCOC2)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC001130778565 1080109796 /nfs/dbraw/zinc/10/97/96/1080109796.db2.gz CPJCPOVMMIOQAE-UHFFFAOYSA-N 0 0 419.441 3.000 20 5 HFBDRN CCOc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)ccc1[N+](=O)[O-] ZINC001130798928 1080185390 /nfs/dbraw/zinc/18/53/90/1080185390.db2.gz NRSYOYAPIBLJKQ-HNNXBMFYSA-N 0 0 413.430 2.989 20 5 HFBDRN CC(C)(C)OC(=O)Cn1cc(C(=O)N2CCCCc3cc([N+](=O)[O-])ccc32)nn1 ZINC001130836749 1080260123 /nfs/dbraw/zinc/26/01/23/1080260123.db2.gz CMISLOUOVDAEBN-UHFFFAOYSA-N 0 0 401.423 2.511 20 5 HFBDRN CC1(C)OCC(NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CO1 ZINC000807108950 1080286501 /nfs/dbraw/zinc/28/65/01/1080286501.db2.gz XBWGKZIDBOETOI-UHFFFAOYSA-N 0 0 414.256 2.577 20 5 HFBDRN NC(=O)c1ccc2c(n1)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)CCC2 ZINC001130848740 1080293802 /nfs/dbraw/zinc/29/38/02/1080293802.db2.gz QGEGGQBOKOSDKE-UHFFFAOYSA-N 0 0 409.446 2.672 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)N3CCc4ccc(C)cc4C3)cc2[N+](=O)[O-])CC1 ZINC001130868319 1080379815 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CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000747041567 1077543007 /nfs/dbraw/zinc/54/30/07/1077543007.db2.gz FKQDAUFXYVZJEJ-HNNXBMFYSA-N 0 0 419.438 2.810 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000791735175 1077543955 /nfs/dbraw/zinc/54/39/55/1077543955.db2.gz SRBZAOAAPDBVJO-UHFFFAOYSA-N 0 0 412.358 2.725 20 5 HFBDRN O=C(OC[C@@H]1CCCS(=O)(=O)C1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000791734585 1077544144 /nfs/dbraw/zinc/54/41/44/1077544144.db2.gz XBNFEGDEJDHJRR-JTQLQIEISA-N 0 0 411.354 2.518 20 5 HFBDRN Cc1nc(CC2CC2)sc1C(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000789374213 1077545043 /nfs/dbraw/zinc/54/50/43/1077545043.db2.gz JOYOTWMQYRQOTA-UHFFFAOYSA-N 0 0 404.448 2.680 20 5 HFBDRN COC(=O)c1ccc(OC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000789424090 1077553613 /nfs/dbraw/zinc/55/36/13/1077553613.db2.gz GEEXOPJFQRXJRR-CYBMUJFWSA-N 0 0 406.391 2.544 20 5 HFBDRN 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O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1ncc(C(F)(F)F)s1 ZINC000789671277 1077735633 /nfs/dbraw/zinc/73/56/33/1077735633.db2.gz IERLFKYDRWAMEN-UHFFFAOYSA-N 0 0 403.338 2.933 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)OCc2ncc(C(F)(F)F)s2)cc([N+](=O)[O-])c1 ZINC000789674760 1077737590 /nfs/dbraw/zinc/73/75/90/1077737590.db2.gz KCYXOSPFFFBUFV-UHFFFAOYSA-N 0 0 410.351 2.831 20 5 HFBDRN CC(C)n1ncnc1COC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000789682430 1077740410 /nfs/dbraw/zinc/74/04/10/1077740410.db2.gz IXFWUESDOZCTLF-UHFFFAOYSA-N 0 0 416.175 2.729 20 5 HFBDRN CC(C)(C)OC(=O)NC1(CC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1 ZINC000747059668 1077746920 /nfs/dbraw/zinc/74/69/20/1077746920.db2.gz UFSZZOPPPUSZLV-UHFFFAOYSA-N 0 0 407.423 2.574 20 5 HFBDRN O=C(COC(=O)c1cnc2n1CCCC2)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000792243275 1077762448 /nfs/dbraw/zinc/76/24/48/1077762448.db2.gz NDNVOPDAMSRNJU-UHFFFAOYSA-N 0 0 412.324 2.942 20 5 HFBDRN CSC1(CNC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)CC1 ZINC000789783356 1077791591 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Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCOc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000790842958 1078144920 /nfs/dbraw/zinc/14/49/20/1078144920.db2.gz KASSREORXQGKSS-CYBMUJFWSA-N 0 0 421.431 2.964 20 5 HFBDRN O=C(NO[C@H]1CCCCO1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790847569 1078146516 /nfs/dbraw/zinc/14/65/16/1078146516.db2.gz MMJNCBOPGTWUFK-AWEZNQCLSA-N 0 0 400.229 2.883 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](CO)[C@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790849277 1078148021 /nfs/dbraw/zinc/14/80/21/1078148021.db2.gz QGPCZIPLFYNHRS-IAQYHMDHSA-N 0 0 423.447 2.563 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c1[N+](=O)[O-] ZINC000790850600 1078148044 /nfs/dbraw/zinc/14/80/44/1078148044.db2.gz KSIVKTJOEXZJQI-UHFFFAOYSA-N 0 0 424.910 2.767 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCc3c2cccc3O)c(C)c1[N+](=O)[O-] ZINC000790848715 1078148049 /nfs/dbraw/zinc/14/80/49/1078148049.db2.gz MSGJJJCNNPSULS-CYBMUJFWSA-N 0 0 407.404 2.791 20 5 HFBDRN CCO[C@H]1C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1(C)C ZINC000790851967 1078149770 /nfs/dbraw/zinc/14/97/70/1078149770.db2.gz GWJNEJSVUMDNFN-GJZGRUSLSA-N 0 0 415.468 2.944 20 5 HFBDRN Cc1nccn1-c1ccc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000790852787 1078150628 /nfs/dbraw/zinc/15/06/28/1078150628.db2.gz VBPAOSFLAVLCTF-UHFFFAOYSA-N 0 0 401.448 2.579 20 5 HFBDRN CCc1noc(CC)c1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790855844 1078152185 /nfs/dbraw/zinc/15/21/85/1078152185.db2.gz DJQRFKNZHOCKOC-UHFFFAOYSA-N 0 0 412.424 2.711 20 5 HFBDRN COC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790856935 1078152716 /nfs/dbraw/zinc/15/27/16/1078152716.db2.gz NGYQAXUVUOKKIB-OAHLLOKOSA-N 0 0 423.447 2.656 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000790824687 1078157761 /nfs/dbraw/zinc/15/77/61/1078157761.db2.gz YWNMDSUFFDJGNR-UHFFFAOYSA-N 0 0 417.487 2.926 20 5 HFBDRN COC(=O)c1ccc(C)c(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790827665 1078158950 /nfs/dbraw/zinc/15/89/50/1078158950.db2.gz WJQRJHUHBVTIEG-UHFFFAOYSA-N 0 0 424.387 2.983 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc(Cl)nc2)c(C)c1[N+](=O)[O-] ZINC000790828674 1078159482 /nfs/dbraw/zinc/15/94/82/1078159482.db2.gz BXVPJTIADBDZCS-UHFFFAOYSA-N 0 0 400.800 2.647 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C3CCOCC3)C2)c(C)c1[N+](=O)[O-] ZINC000790866218 1078163729 /nfs/dbraw/zinc/16/37/29/1078163729.db2.gz DQOMPMCLLASJQI-AWEZNQCLSA-N 0 0 413.452 2.557 20 5 HFBDRN CCN(CCc1nccs1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790866209 1078163752 /nfs/dbraw/zinc/16/37/52/1078163752.db2.gz DNSYVJAVTADUTG-UHFFFAOYSA-N 0 0 414.465 2.830 20 5 HFBDRN CNC(=O)COc1ccc(N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000793398279 1078167075 /nfs/dbraw/zinc/16/70/75/1078167075.db2.gz JNWAANYBFQGAGC-AWEZNQCLSA-N 0 0 400.435 2.857 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000747120145 1078175186 /nfs/dbraw/zinc/17/51/86/1078175186.db2.gz YFAAWCDDKPCMDJ-LSDHHAIUSA-N 0 0 416.352 2.940 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2nc(C3CC3)cs2)c(C)c1[N+](=O)[O-] ZINC000790861366 1078178541 /nfs/dbraw/zinc/17/85/41/1078178541.db2.gz DSESGALIVVERBA-UHFFFAOYSA-N 0 0 412.449 2.932 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)o1 ZINC000747125697 1078187701 /nfs/dbraw/zinc/18/77/01/1078187701.db2.gz PKTOTLRJJOHDPI-UHFFFAOYSA-N 0 0 422.337 2.814 20 5 HFBDRN Cc1nn(CN2CC[C@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701194 1078273776 /nfs/dbraw/zinc/27/37/76/1078273776.db2.gz CJLTYMFPBMVBSN-PBHICJAKSA-N 0 0 416.482 2.937 20 5 HFBDRN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000793790153 1078297516 /nfs/dbraw/zinc/29/75/16/1078297516.db2.gz MDCPQQOUASPUIV-CQSZACIVSA-N 0 0 419.865 2.799 20 5 HFBDRN COCN1C(=O)CCc2cc(NC(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)ccc21 ZINC000793915262 1078337078 /nfs/dbraw/zinc/33/70/78/1078337078.db2.gz PYYXUUCCIWUENB-UHFFFAOYSA-N 0 0 421.413 2.916 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000794038861 1078363828 /nfs/dbraw/zinc/36/38/28/1078363828.db2.gz QLLWEZCVOFFPEZ-HNNXBMFYSA-N 0 0 415.450 2.659 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000794040042 1078364244 /nfs/dbraw/zinc/36/42/44/1078364244.db2.gz FJHIXJAFMORLPZ-AWEZNQCLSA-N 0 0 422.482 2.555 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C(F)(F)C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000794041238 1078364385 /nfs/dbraw/zinc/36/43/85/1078364385.db2.gz GOLSAXWJBYYYTH-UHFFFAOYSA-N 0 0 413.421 2.704 20 5 HFBDRN CCOC(=O)[C@H](C)COC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000747171341 1078362943 /nfs/dbraw/zinc/36/29/43/1078362943.db2.gz ZGDITSSHAJNFGA-MRVPVSSYSA-N 0 0 407.160 2.555 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C(F)(F)c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000794043367 1078364729 /nfs/dbraw/zinc/36/47/29/1078364729.db2.gz MVBVMSXUYBJVAR-UHFFFAOYSA-N 0 0 412.418 2.891 20 5 HFBDRN Cc1cccc(CC2(O)CCN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000794137312 1078377034 /nfs/dbraw/zinc/37/70/34/1078377034.db2.gz SSVFKENSQWWUSM-UHFFFAOYSA-N 0 0 408.458 2.849 20 5 HFBDRN CC(C)OCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)no1 ZINC000794173336 1078380585 /nfs/dbraw/zinc/38/05/85/1078380585.db2.gz VGIUFNQYWSATOA-ZDUSSCGKSA-N 0 0 403.439 2.994 20 5 HFBDRN CSCCONC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000794189322 1078383036 /nfs/dbraw/zinc/38/30/36/1078383036.db2.gz ZVYXYQJZCNLESN-UHFFFAOYSA-N 0 0 403.460 2.916 20 5 HFBDRN C[C@]1(NC(=O)COc2ccccc2[N+](=O)[O-])CCN(C(=O)OCc2ccccc2)C1 ZINC000794228576 1078388857 /nfs/dbraw/zinc/38/88/57/1078388857.db2.gz GFKWPGFWOKLFJP-NRFANRHFSA-N 0 0 413.430 2.891 20 5 HFBDRN C[C@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000794235879 1078389699 /nfs/dbraw/zinc/38/96/99/1078389699.db2.gz XJMOAPSNYJKALX-NRFANRHFSA-N 0 0 413.430 2.891 20 5 HFBDRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)c2)C1=O ZINC000794257037 1078392937 /nfs/dbraw/zinc/39/29/37/1078392937.db2.gz GUIWFKMGTFKSDI-HNNXBMFYSA-N 0 0 416.365 2.586 20 5 HFBDRN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000794301595 1078405198 /nfs/dbraw/zinc/40/51/98/1078405198.db2.gz VOSQZEFVMCMUCG-LAUBAEHRSA-N 0 0 403.479 2.995 20 5 HFBDRN C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@]2(CCOC2)O1 ZINC000794318418 1078412095 /nfs/dbraw/zinc/41/20/95/1078412095.db2.gz ODPAQFBBQOVTRP-BJOHPYRUSA-N 0 0 403.204 2.516 20 5 HFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(CCO)Cc2cccnc2Cl)cc1OC ZINC000794332107 1078415973 /nfs/dbraw/zinc/41/59/73/1078415973.db2.gz KJAFXHZZRNZXRS-UHFFFAOYSA-N 0 0 409.826 2.685 20 5 HFBDRN Cn1c2cc(NC[C@@H]3CCCCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804381045 1078440071 /nfs/dbraw/zinc/44/00/71/1078440071.db2.gz GSDPINMMWKTISQ-ZDUSSCGKSA-N 0 0 419.482 2.987 20 5 HFBDRN CCOC(=O)c1ccc(N2CCCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)nc1 ZINC000804389671 1078448225 /nfs/dbraw/zinc/44/82/25/1078448225.db2.gz WNFUQTYFLQDRPF-UHFFFAOYSA-N 0 0 415.406 2.791 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]n2C)cc1[N+](=O)[O-] ZINC001129450652 1078458398 /nfs/dbraw/zinc/45/83/98/1078458398.db2.gz KIDTVQLETZGCIN-UHFFFAOYSA-N 0 0 418.816 2.923 20 5 HFBDRN CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)c2cc([N+](=O)[O-])c(F)cc2C)CC1 ZINC001129438887 1078465293 /nfs/dbraw/zinc/46/52/93/1078465293.db2.gz NBNHKQFNDVCQBV-ZDUSSCGKSA-N 0 0 415.487 2.565 20 5 HFBDRN C[C@H]1Oc2ccc(C(=O)C3CCN(c4ccc(N)cc4[N+](=O)[O-])CC3)cc2NC1=O ZINC000804425130 1078471988 /nfs/dbraw/zinc/47/19/88/1078471988.db2.gz MGVVZEGWVDKZDN-GFCCVEGCSA-N 0 0 410.430 2.996 20 5 HFBDRN Cc1nc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cs1 ZINC000804431329 1078475288 /nfs/dbraw/zinc/47/52/88/1078475288.db2.gz OYIHTUMUTJUMTG-UHFFFAOYSA-N 0 0 402.885 2.524 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804454615 1078494365 /nfs/dbraw/zinc/49/43/65/1078494365.db2.gz SGVDSGUOBVFYJP-STQMWFEESA-N 0 0 408.455 2.919 20 5 HFBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000804440379 1078504418 /nfs/dbraw/zinc/50/44/18/1078504418.db2.gz XHLCEIYPKREASH-AEFFLSMTSA-N 0 0 402.495 2.520 20 5 HFBDRN Cn1c2cc(NC[C@@H]3CCCN3C(=O)OC(C)(C)C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804441412 1078505296 /nfs/dbraw/zinc/50/52/96/1078505296.db2.gz AOGIUYFUZQRJCD-LBPRGKRZSA-N 0 0 405.455 2.597 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000804441658 1078507541 /nfs/dbraw/zinc/50/75/41/1078507541.db2.gz HZMWBZFTBOJAKQ-FQEVSTJZSA-N 0 0 414.437 2.874 20 5 HFBDRN O=C(NCc1cnn2ccccc12)c1cc([N+](=O)[O-])ccc1I ZINC000804445761 1078511968 /nfs/dbraw/zinc/51/19/68/1078511968.db2.gz NVTLLRUSZDQAQH-UHFFFAOYSA-N 0 0 422.182 2.777 20 5 HFBDRN C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001129820422 1078515297 /nfs/dbraw/zinc/51/52/97/1078515297.db2.gz WGYXXWYOYOBKOY-GFCCVEGCSA-N 0 0 423.408 2.562 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000804682156 1078520012 /nfs/dbraw/zinc/52/00/12/1078520012.db2.gz LJXNFEUDCAMSTN-OKILXGFUSA-N 0 0 405.451 2.993 20 5 HFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001129830105 1078523896 /nfs/dbraw/zinc/52/38/96/1078523896.db2.gz HOZWXGMYNRZFNA-HNNXBMFYSA-N 0 0 421.519 2.950 20 5 HFBDRN COc1cc(C(=O)N2CC[C@@]3(C2)CC(=O)c2ccccc2O3)c([N+](=O)[O-])cc1F ZINC001129801599 1078525335 /nfs/dbraw/zinc/52/53/35/1078525335.db2.gz OSVOOIWIFKXQHW-FQEVSTJZSA-N 0 0 400.362 2.993 20 5 HFBDRN C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000804462965 1078525923 /nfs/dbraw/zinc/52/59/23/1078525923.db2.gz XCKMOGJXZZLVEZ-ABAIWWIYSA-N 0 0 410.471 2.842 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@@H]2CC(c3ccc4c(c3)CCO4)=NO2)c1[N+](=O)[O-] ZINC000804694381 1078533754 /nfs/dbraw/zinc/53/37/54/1078533754.db2.gz ORZAYLIMNHEGCF-AWEZNQCLSA-N 0 0 412.402 2.625 20 5 HFBDRN CC(C)Oc1ccc([C@H](O)CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)cc1 ZINC000804465830 1078529055 /nfs/dbraw/zinc/52/90/55/1078529055.db2.gz SNAIUNAEBNJAAZ-LJQANCHMSA-N 0 0 400.435 2.718 20 5 HFBDRN Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 ZINC000804468518 1078532638 /nfs/dbraw/zinc/53/26/38/1078532638.db2.gz SGSAGEKXDFLETG-VFNWGFHPSA-N 0 0 422.441 2.609 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN2C(=O)CC[C@@]12c1ccccc1 ZINC001129546946 1078536342 /nfs/dbraw/zinc/53/63/42/1078536342.db2.gz NDSMIDPAYNRXGD-OAQYLSRUSA-N 0 0 424.413 2.753 20 5 HFBDRN COc1c(Br)c([N+](=O)[O-])c(NCc2cc(C)nn2C)cc1[N+](=O)[O-] ZINC000804699322 1078541095 /nfs/dbraw/zinc/54/10/95/1078541095.db2.gz LJSPKNSPVLKRIN-UHFFFAOYSA-N 0 0 400.189 2.928 20 5 HFBDRN 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ZINC000804553257 1078578832 /nfs/dbraw/zinc/57/88/32/1078578832.db2.gz MWLYMMZPTAONHJ-GUYCJALGSA-N 0 0 423.466 2.808 20 5 HFBDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000804553123 1078579228 /nfs/dbraw/zinc/57/92/28/1078579228.db2.gz KDQUFCCWAKWSGT-PWSUYJOCSA-N 0 0 409.468 2.718 20 5 HFBDRN O=C(Cc1cccc(OCC(F)(F)F)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129610990 1078581622 /nfs/dbraw/zinc/58/16/22/1078581622.db2.gz VOSDLEVFNOHKQT-UHFFFAOYSA-N 0 0 424.379 2.822 20 5 HFBDRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1S(C)(=O)=O ZINC001129899293 1078593790 /nfs/dbraw/zinc/59/37/90/1078593790.db2.gz MWAPOIOMSPWUKT-UHFFFAOYSA-N 0 0 401.400 2.807 20 5 HFBDRN O=C1c2ccccc2C(=O)N1CCOCCSc1nc2ccccn2c1[N+](=O)[O-] ZINC000804772004 1078599840 /nfs/dbraw/zinc/59/98/40/1078599840.db2.gz XDXVECDYNAAJOU-UHFFFAOYSA-N 0 0 412.427 2.647 20 5 HFBDRN CCc1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)cc1Cl ZINC000804778588 1078603376 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CQPGWSHCONENSQ-UHFFFAOYSA-N 0 0 405.451 2.689 20 5 HFBDRN CC(C)n1ncc2cc(C=CC(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)c(=O)[nH]c21 ZINC000787506671 1076829499 /nfs/dbraw/zinc/82/94/99/1076829499.db2.gz GWHLHUHBYPRXGB-FPYGCLRLSA-N 0 0 423.429 2.517 20 5 HFBDRN O=C(c1ccccc1)N1CCCC[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787507647 1076829751 /nfs/dbraw/zinc/82/97/51/1076829751.db2.gz JUTQPUKECONBPM-HXUWFJFHSA-N 0 0 409.442 2.879 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000787507590 1076829769 /nfs/dbraw/zinc/82/97/69/1076829769.db2.gz IXFIVTPUUKVKEN-UWJYYQICSA-N 0 0 417.462 2.832 20 5 HFBDRN O=C(c1ccccc1)N1CCCC[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787507645 1076829775 /nfs/dbraw/zinc/82/97/75/1076829775.db2.gz JUTQPUKECONBPM-FQEVSTJZSA-N 0 0 409.442 2.879 20 5 HFBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787508848 1076830028 /nfs/dbraw/zinc/83/00/28/1076830028.db2.gz OFPUAXAEFZMBJL-UHFFFAOYSA-N 0 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NIFIZUFQBQVXAX-INIZCTEOSA-N 0 0 421.461 2.768 20 5 HFBDRN O=C(N1CCOCC1)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022225810 1080512075 /nfs/dbraw/zinc/51/20/75/1080512075.db2.gz HLNOHDDSYJEHMZ-UHFFFAOYSA-N 0 0 422.791 2.841 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCC(F)(F)Br)cc1[N+](=O)[O-] ZINC000807447633 1080628578 /nfs/dbraw/zinc/62/85/78/1080628578.db2.gz ALDRXTDGLDJVFQ-UHFFFAOYSA-N 0 0 408.199 2.935 20 5 HFBDRN CCc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)n(C)n1 ZINC000807478157 1080730333 /nfs/dbraw/zinc/73/03/33/1080730333.db2.gz ZPDCTCHIHYENTN-UHFFFAOYSA-N 0 0 410.228 2.539 20 5 HFBDRN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001130975192 1080768879 /nfs/dbraw/zinc/76/88/79/1080768879.db2.gz STMWUXVAFVMURF-NTZNESFSSA-N 0 0 416.400 2.917 20 5 HFBDRN Nc1nc(C2CC2)ncc1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000807523528 1080777121 /nfs/dbraw/zinc/77/71/21/1080777121.db2.gz KJGKTYFTJYLJIJ-UHFFFAOYSA-N 0 0 418.251 2.805 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ccc2c(c1)OCO2 ZINC000747406763 1080799578 /nfs/dbraw/zinc/79/95/78/1080799578.db2.gz KJFZUZROYPTPBT-UHFFFAOYSA-N 0 0 400.343 2.755 20 5 HFBDRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])cc1[N+](=O)[O-] ZINC000756380560 1126108004 /nfs/dbraw/zinc/10/80/04/1126108004.db2.gz RXTLKSJSERCXLH-INIZCTEOSA-N 0 0 414.374 2.778 20 5 HFBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164674002 719514443 /nfs/dbraw/zinc/51/44/43/719514443.db2.gz YINMGORZJFRQDK-UHFFFAOYSA-N 0 0 416.453 2.547 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])cc(Cl)n2)[C@H]2CCCO[C@H]12 ZINC001164795944 721526788 /nfs/dbraw/zinc/52/67/88/721526788.db2.gz VCSJQFVGMRRICG-FCEWJHQRSA-N 0 0 403.870 2.906 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)[C@@H]2CCCO[C@H]12 ZINC001164811123 721537645 /nfs/dbraw/zinc/53/76/45/721537645.db2.gz YUICUMVZXKRXPH-SJBKTWHCSA-N 0 0 420.473 2.801 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@@H]2CCCO[C@@H]12 ZINC001164805105 721549005 /nfs/dbraw/zinc/54/90/05/721549005.db2.gz KYLROGSPFXYOBM-NJDAHSKKSA-N 0 0 420.473 2.801 20 5 HFBDRN COc1cc(C)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164802528 721549734 /nfs/dbraw/zinc/54/97/34/721549734.db2.gz GVVUTRQTYXAEQQ-FUHIMQAGSA-N 0 0 413.478 2.570 20 5 HFBDRN COc1nc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164911800 721743360 /nfs/dbraw/zinc/74/33/60/721743360.db2.gz KKXZMHZGQNTORB-UHFFFAOYSA-N 0 0 410.434 2.576 20 5 HFBDRN Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC1 ZINC001164916465 721814066 /nfs/dbraw/zinc/81/40/66/721814066.db2.gz DZMQRAFIKFIUMZ-UHFFFAOYSA-N 0 0 412.281 2.638 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(F)cc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987914 722177859 /nfs/dbraw/zinc/17/78/59/722177859.db2.gz PNRVIRUCMAXACY-DOTOQJQBSA-N 0 0 407.471 2.764 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(F)cc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987924 722177966 /nfs/dbraw/zinc/17/79/66/722177966.db2.gz PNRVIRUCMAXACY-WBVHZDCISA-N 0 0 407.471 2.764 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(C)c4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987070 722178163 /nfs/dbraw/zinc/17/81/63/722178163.db2.gz MEWQUUYZUPREOP-IRXDYDNUSA-N 0 0 403.508 2.933 20 5 HFBDRN Cc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000790539409 1078045896 /nfs/dbraw/zinc/04/58/96/1078045896.db2.gz PXVSNSGFJRQVLV-UHFFFAOYSA-N 0 0 401.803 2.524 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000793005017 1078046200 /nfs/dbraw/zinc/04/62/00/1078046200.db2.gz OJWPXSDURWSICC-UHFFFAOYSA-N 0 0 408.745 2.978 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(NC(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000793010340 1078047749 /nfs/dbraw/zinc/04/77/49/1078047749.db2.gz CKCAXVXDEFMFAU-UHFFFAOYSA-N 0 0 420.466 2.566 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(N2C(=O)CNC2=O)c1 ZINC000790530462 1078052167 /nfs/dbraw/zinc/05/21/67/1078052167.db2.gz OCGDXICOWCXLGG-UHFFFAOYSA-N 0 0 406.757 2.625 20 5 HFBDRN O=C(Nc1cccc(Br)n1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000793036199 1078053333 /nfs/dbraw/zinc/05/33/33/1078053333.db2.gz NUECCYXYIOUBEL-UHFFFAOYSA-N 0 0 419.235 2.882 20 5 HFBDRN COC(=O)COc1cccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790561222 1078056368 /nfs/dbraw/zinc/05/63/68/1078056368.db2.gz NKEADEBOXUWBFW-UHFFFAOYSA-N 0 0 410.785 2.798 20 5 HFBDRN COc1ccc(OC)c2c1CN(C(=O)NCc1cccc([N+](=O)[O-])c1C)C[C@H]2O ZINC000790563914 1078056714 /nfs/dbraw/zinc/05/67/14/1078056714.db2.gz KCWXUZFMWWQBFU-MRXNPFEDSA-N 0 0 401.419 2.679 20 5 HFBDRN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790569100 1078057709 /nfs/dbraw/zinc/05/77/09/1078057709.db2.gz UHUGWEQVCBPOAI-MNOVXSKESA-N 0 0 401.822 2.913 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)c1c(C)nn(C)c1C ZINC000746931430 1078068291 /nfs/dbraw/zinc/06/82/91/1078068291.db2.gz SJOFYEGCZPHYFY-MFKMUULPSA-N 0 0 404.423 2.628 20 5 HFBDRN COC(=O)[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000790642286 1078073863 /nfs/dbraw/zinc/07/38/63/1078073863.db2.gz PXROLWVFQFBSIB-CYBMUJFWSA-N 0 0 424.812 2.784 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1 ZINC000793162325 1078085326 /nfs/dbraw/zinc/08/53/26/1078085326.db2.gz XTUOPHJRMKNKKA-GHMZBOCLSA-N 0 0 406.254 2.788 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(N)ccc1Br ZINC000747103263 1078088834 /nfs/dbraw/zinc/08/88/34/1078088834.db2.gz LINBTQLFPKBGJH-UHFFFAOYSA-N 0 0 424.207 2.744 20 5 HFBDRN O=C(Nc1ccccc1)c1cccc(CS(=O)(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000772828326 1078091266 /nfs/dbraw/zinc/09/12/66/1078091266.db2.gz QAAXEUPLLINLKH-UHFFFAOYSA-N 0 0 414.443 2.659 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCCN1C(=O)c2ccccc2C1=O ZINC000790653951 1078094529 /nfs/dbraw/zinc/09/45/29/1078094529.db2.gz VWFDLPXSVZKZAP-UHFFFAOYSA-N 0 0 406.753 2.769 20 5 HFBDRN CC(=O)N1C[C@@H](C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)Oc2ccccc21 ZINC000790656128 1078094917 /nfs/dbraw/zinc/09/49/17/1078094917.db2.gz ICUWTOWXPDZIOT-IBGZPJMESA-N 0 0 413.386 2.509 20 5 HFBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000793238701 1078103782 /nfs/dbraw/zinc/10/37/82/1078103782.db2.gz JKTDFUAJTBOVKR-OALUTQOASA-N 0 0 420.425 2.803 20 5 HFBDRN COc1cc(C(=O)O[C@@H]2C(=O)OCC2(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000793293738 1078120310 /nfs/dbraw/zinc/12/03/10/1078120310.db2.gz HNFRMYMLRNARQZ-OAHLLOKOSA-N 0 0 422.415 2.747 20 5 HFBDRN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790743745 1078122592 /nfs/dbraw/zinc/12/25/92/1078122592.db2.gz YEEFZMRIOVSPSF-JTQLQIEISA-N 0 0 424.816 2.701 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000790744664 1078122895 /nfs/dbraw/zinc/12/28/95/1078122895.db2.gz DFGPGLWDUOPBLR-GOEBONIOSA-N 0 0 414.817 2.643 20 5 HFBDRN Cc1nccn1CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790769600 1078128801 /nfs/dbraw/zinc/12/88/01/1078128801.db2.gz FWTBZZPBOUCAJA-UHFFFAOYSA-N 0 0 408.256 2.630 20 5 HFBDRN COC(=O)c1cnc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000790772287 1078129252 /nfs/dbraw/zinc/12/92/52/1078129252.db2.gz NDHPTRZYNBOJPG-UHFFFAOYSA-N 0 0 402.363 2.732 20 5 HFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCc2cnn(C(C)C)c2C1 ZINC000790789020 1078134917 /nfs/dbraw/zinc/13/49/17/1078134917.db2.gz CMGGKVFKRFZNCF-CQSZACIVSA-N 0 0 423.495 2.524 20 5 HFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C1CCCCC1 ZINC000790793389 1078136313 /nfs/dbraw/zinc/13/63/13/1078136313.db2.gz FBUGIFNKCPTXRJ-QGZVFWFLSA-N 0 0 401.485 2.520 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(CCN(C)C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790839434 1078141657 /nfs/dbraw/zinc/14/16/57/1078141657.db2.gz ZJEYHEPUTYNSJN-UHFFFAOYSA-N 0 0 422.463 2.877 20 5 HFBDRN COC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000790839886 1078142906 /nfs/dbraw/zinc/14/29/06/1078142906.db2.gz QXUUUSCGRAWMBV-CQSZACIVSA-N 0 0 409.420 2.786 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000790844291 1078145505 /nfs/dbraw/zinc/14/55/05/1078145505.db2.gz UDMCYPYCNFGWIZ-CQSZACIVSA-N 0 0 413.496 2.842 20 5 HFBDRN CCNC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790849474 1078147726 /nfs/dbraw/zinc/14/77/26/1078147726.db2.gz CFYNGPNLDSYAMY-UHFFFAOYSA-N 0 0 423.403 2.637 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCc3c2cccc3O)c(C)c1[N+](=O)[O-] ZINC000790848716 1078148026 /nfs/dbraw/zinc/14/80/26/1078148026.db2.gz MSGJJJCNNPSULS-ZDUSSCGKSA-N 0 0 407.404 2.791 20 5 HFBDRN Cn1cncc1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000793364617 1078149072 /nfs/dbraw/zinc/14/90/72/1078149072.db2.gz FHCSLRJJXFJKEJ-UHFFFAOYSA-N 0 0 411.384 2.629 20 5 HFBDRN CC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CCOCC1 ZINC000790852556 1078149753 /nfs/dbraw/zinc/14/97/53/1078149753.db2.gz YTHVEKGYMNBOKG-CYBMUJFWSA-N 0 0 401.441 2.603 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CCCO)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790853575 1078150028 /nfs/dbraw/zinc/15/00/28/1078150028.db2.gz PWMRAMYHSUUVDP-HNNXBMFYSA-N 0 0 423.447 2.912 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc([C@@H](C)O)cc2)c(C)c1[N+](=O)[O-] ZINC000790853061 1078150622 /nfs/dbraw/zinc/15/06/22/1078150622.db2.gz NLOFBWQPSZRKLL-GFCCVEGCSA-N 0 0 409.420 2.652 20 5 HFBDRN O=C(NCCOCC(F)F)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790831861 1078160324 /nfs/dbraw/zinc/16/03/24/1078160324.db2.gz WCCJRAMGJFDCHY-UHFFFAOYSA-N 0 0 408.199 2.707 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CN(C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000790868167 1078165021 /nfs/dbraw/zinc/16/50/21/1078165021.db2.gz RGJSQBYNTCZQQY-HNNXBMFYSA-N 0 0 420.447 2.585 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000790870625 1078166373 /nfs/dbraw/zinc/16/63/73/1078166373.db2.gz KOFKIFSXLIMIFI-DLBZAZTESA-N 0 0 413.452 2.603 20 5 HFBDRN Cc1csc([C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000790871059 1078167546 /nfs/dbraw/zinc/16/75/46/1078167546.db2.gz LEXFSAGGATVOAI-MRVPVSSYSA-N 0 0 414.465 2.967 20 5 HFBDRN CCC[C@@H](O)CCNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001157783480 1078167726 /nfs/dbraw/zinc/16/77/26/1078167726.db2.gz NNPFPQWHILMUEA-MRXNPFEDSA-N 0 0 422.459 2.643 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@H]3CCCO3)CC2)c(C)c1[N+](=O)[O-] ZINC000790876837 1078168809 /nfs/dbraw/zinc/16/88/09/1078168809.db2.gz PJOLKPPWLVTNCV-OAHLLOKOSA-N 0 0 413.452 2.700 20 5 HFBDRN CSc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)cc1[N+](=O)[O-] ZINC000772833118 1078171027 /nfs/dbraw/zinc/17/10/27/1078171027.db2.gz IQVXKQBMVWWRCW-UHFFFAOYSA-N 0 0 416.459 2.505 20 5 HFBDRN CCn1cc(S(=O)(=O)Oc2cc(C)c(Br)c(C)c2)c([N+](=O)[O-])n1 ZINC000790892923 1078174422 /nfs/dbraw/zinc/17/44/22/1078174422.db2.gz NJDJLTJRBFZRDT-UHFFFAOYSA-N 0 0 404.242 2.958 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000790896088 1078176097 /nfs/dbraw/zinc/17/60/97/1078176097.db2.gz YPHBMNGWESVPCD-MLGOLLRUSA-N 0 0 412.801 2.874 20 5 HFBDRN COC(=O)c1cc(S(=O)(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)ccc1Cl ZINC000790898231 1078176739 /nfs/dbraw/zinc/17/67/39/1078176739.db2.gz JVQRWVJZPNSMNU-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CCC2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000790857925 1078177646 /nfs/dbraw/zinc/17/76/46/1078177646.db2.gz RQDWPMCPBAUPER-UHFFFAOYSA-N 0 0 401.441 2.557 20 5 HFBDRN Cc1cnc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790858945 1078177952 /nfs/dbraw/zinc/17/79/52/1078177952.db2.gz GIWKNRLZDOBJPL-JTQLQIEISA-N 0 0 400.438 2.924 20 5 HFBDRN Cc1cnc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790858947 1078177959 /nfs/dbraw/zinc/17/79/59/1078177959.db2.gz GIWKNRLZDOBJPL-SNVBAGLBSA-N 0 0 400.438 2.924 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-n2nccn2)cc1C(F)(F)F ZINC000747123355 1078181338 /nfs/dbraw/zinc/18/13/38/1078181338.db2.gz BZJVUZIOPSSLJR-UHFFFAOYSA-N 0 0 409.328 2.728 20 5 HFBDRN CCc1nnc(C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)CC2)[nH]1 ZINC000790919362 1078183452 /nfs/dbraw/zinc/18/34/52/1078183452.db2.gz FBPAMJFWBBZHOM-UHFFFAOYSA-N 0 0 413.887 2.805 20 5 HFBDRN CNC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000747125756 1078188386 /nfs/dbraw/zinc/18/83/86/1078188386.db2.gz PVDPNCJDXGTTRM-UHFFFAOYSA-N 0 0 403.338 2.716 20 5 HFBDRN Nc1ncnc2c1ncn2CCCOC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747125564 1078189008 /nfs/dbraw/zinc/18/90/08/1078189008.db2.gz ZHEPDMZOFBGLPF-UHFFFAOYSA-N 0 0 410.312 2.583 20 5 HFBDRN COCc1cc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000793454098 1078191657 /nfs/dbraw/zinc/19/16/57/1078191657.db2.gz VTKVSDUJYUPTNK-UHFFFAOYSA-N 0 0 412.395 2.776 20 5 HFBDRN O=C(NCc1ccn(-c2ccccc2)n1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000793669868 1078246755 /nfs/dbraw/zinc/24/67/55/1078246755.db2.gz OLWSSSYBIVXOJD-UHFFFAOYSA-N 0 0 419.441 2.588 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@@H]21 ZINC000793721753 1078265846 /nfs/dbraw/zinc/26/58/46/1078265846.db2.gz NCQCKASIPMOHHH-HIFRSBDPSA-N 0 0 418.450 2.792 20 5 HFBDRN Cc1nn(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000793701199 1078273745 /nfs/dbraw/zinc/27/37/45/1078273745.db2.gz CJLTYMFPBMVBSN-WMLDXEAASA-N 0 0 416.482 2.937 20 5 HFBDRN C[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)Cc2ccccc2O1 ZINC000793783302 1078293279 /nfs/dbraw/zinc/29/32/79/1078293279.db2.gz VMBIIXDLPGDKOG-SPLOXXLWSA-N 0 0 410.430 2.602 20 5 HFBDRN O=Cc1ccc(OCC(=O)N[C@H]2c3ccccc3CC23CCOCC3)c([N+](=O)[O-])c1 ZINC000793862912 1078326957 /nfs/dbraw/zinc/32/69/57/1078326957.db2.gz KKGCCLKIUHBGNB-NRFANRHFSA-N 0 0 410.426 2.997 20 5 HFBDRN CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000793945032 1078354288 /nfs/dbraw/zinc/35/42/88/1078354288.db2.gz BPBFIBMFVNRREH-NVXWUHKLSA-N 0 0 419.526 2.924 20 5 HFBDRN COc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c(OC)n1 ZINC000794145666 1078377894 /nfs/dbraw/zinc/37/78/94/1078377894.db2.gz AQHCQIKYINRESE-UHFFFAOYSA-N 0 0 414.187 2.839 20 5 HFBDRN COC(=O)c1cc(F)cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1F ZINC000794238957 1078390244 /nfs/dbraw/zinc/39/02/44/1078390244.db2.gz QQFBSUPQJJTESN-UHFFFAOYSA-N 0 0 421.356 2.749 20 5 HFBDRN COC(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000794240046 1078390914 /nfs/dbraw/zinc/39/09/14/1078390914.db2.gz FNMWOGXJSFKRDY-UHFFFAOYSA-N 0 0 403.347 2.870 20 5 HFBDRN O=C(OC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000747183861 1078395875 /nfs/dbraw/zinc/39/58/75/1078395875.db2.gz ALOJXIRHOPNVRM-UHFFFAOYSA-N 0 0 417.384 2.615 20 5 HFBDRN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000794278842 1078399348 /nfs/dbraw/zinc/39/93/48/1078399348.db2.gz HSCZCDRNJWIWBS-INIZCTEOSA-N 0 0 400.391 2.511 20 5 HFBDRN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@]2(CCOC2)O1 ZINC000794318420 1078412104 /nfs/dbraw/zinc/41/21/04/1078412104.db2.gz ODPAQFBBQOVTRP-PSLIRLAXSA-N 0 0 403.204 2.516 20 5 HFBDRN COCCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)cc1 ZINC000794366016 1078426998 /nfs/dbraw/zinc/42/69/98/1078426998.db2.gz NXERRQQUNLLTPT-UHFFFAOYSA-N 0 0 405.426 2.893 20 5 HFBDRN CN(Cc1c(F)cccc1F)C(=O)CN1c2ccc([N+](=O)[O-])cc2C(F)(F)C1=O ZINC001129403130 1078454702 /nfs/dbraw/zinc/45/47/02/1078454702.db2.gz IVGQZVICGUADOV-UHFFFAOYSA-N 0 0 411.311 2.970 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC001129461788 1078468307 /nfs/dbraw/zinc/46/83/07/1078468307.db2.gz WFJQFQMXIFLMNW-UHFFFAOYSA-N 0 0 419.390 2.680 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@H](C)[S@]1=O ZINC000804436597 1078481965 /nfs/dbraw/zinc/48/19/65/1078481965.db2.gz QUOPFKKMONTTPV-ORXUAUJHSA-N 0 0 407.261 2.868 20 5 HFBDRN CC(C)(CNC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1cccnc1 ZINC001129777632 1078488248 /nfs/dbraw/zinc/48/82/48/1078488248.db2.gz YCWJIVOUOUSLOE-ZDUSSCGKSA-N 0 0 400.410 2.576 20 5 HFBDRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000804675500 1078511451 /nfs/dbraw/zinc/51/14/51/1078511451.db2.gz OJVBAMYSMKBCJZ-INIZCTEOSA-N 0 0 421.450 2.646 20 5 HFBDRN CCOc1ccccc1OCCCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129496269 1078516416 /nfs/dbraw/zinc/51/64/16/1078516416.db2.gz ZYMYECBTLADFHT-UHFFFAOYSA-N 0 0 414.462 2.896 20 5 HFBDRN Cc1ccc([C@H](O)[C@H](C)NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000804481154 1078520594 /nfs/dbraw/zinc/52/05/94/1078520594.db2.gz VHBJPPJGEYWDQY-KPZWWZAWSA-N 0 0 405.838 2.525 20 5 HFBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC[C@H]1c1ccc(F)cc1F ZINC001129829967 1078523803 /nfs/dbraw/zinc/52/38/03/1078523803.db2.gz FQCIOAQQVKYCDJ-HNNXBMFYSA-N 0 0 415.352 2.833 20 5 HFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC001129830106 1078523829 /nfs/dbraw/zinc/52/38/29/1078523829.db2.gz HOZWXGMYNRZFNA-OAHLLOKOSA-N 0 0 421.519 2.950 20 5 HFBDRN Cc1cccc(O[C@@H](C)C(=O)N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)c1 ZINC000804466444 1078528595 /nfs/dbraw/zinc/52/85/95/1078528595.db2.gz ZJNGQMKMWRZMSY-HNNXBMFYSA-N 0 0 414.418 2.928 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804496596 1078552658 /nfs/dbraw/zinc/55/26/58/1078552658.db2.gz YFRCLLOJSWMQCZ-SMDDNHRTSA-N 0 0 408.455 2.824 20 5 HFBDRN O=c1[nH]c(NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)nc2ccc([N+](=O)[O-])cc12 ZINC000804490224 1078548178 /nfs/dbraw/zinc/54/81/78/1078548178.db2.gz GBLWCJLIRQOOCM-AWEZNQCLSA-N 0 0 418.793 2.814 20 5 HFBDRN O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCCN(c2ccccc2F)CC1 ZINC000804719227 1078559026 /nfs/dbraw/zinc/55/90/26/1078559026.db2.gz LKDYQACSNQQLSX-FQEVSTJZSA-N 0 0 412.421 2.966 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1 ZINC000804702266 1078566714 /nfs/dbraw/zinc/56/67/14/1078566714.db2.gz WYZSEPSSDAVBNL-UHFFFAOYSA-N 0 0 409.439 2.556 20 5 HFBDRN Cc1ccc(NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c([N+](=O)[O-])c1Br ZINC000804531424 1078568813 /nfs/dbraw/zinc/56/88/13/1078568813.db2.gz ZJEZURTTWDZYCX-MGPLVRAMSA-N 0 0 411.256 2.798 20 5 HFBDRN CNS(=O)(=O)c1cccc2c1CCN(c1nc3ccc([N+](=O)[O-])cc3s1)C2 ZINC000804705330 1078571290 /nfs/dbraw/zinc/57/12/90/1078571290.db2.gz GLALRDQZIOEOES-UHFFFAOYSA-N 0 0 404.473 2.675 20 5 HFBDRN O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129609784 1078580083 /nfs/dbraw/zinc/58/00/83/1078580083.db2.gz BKYYKIXHTMXUSR-GOSISDBHSA-N 0 0 412.446 2.510 20 5 HFBDRN COc1ccc(C[C@H](C)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1OC ZINC001129611016 1078581502 /nfs/dbraw/zinc/58/15/02/1078581502.db2.gz WOZJGCHCTHHRAG-HNNXBMFYSA-N 0 0 414.462 2.534 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 ZINC000747196160 1078585017 /nfs/dbraw/zinc/58/50/17/1078585017.db2.gz HFTYCNDQLWABLN-UHFFFAOYSA-N 0 0 412.446 2.796 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC000804727614 1078587537 /nfs/dbraw/zinc/58/75/37/1078587537.db2.gz GDTYKAZZXFKVPY-UHFFFAOYSA-N 0 0 411.336 2.866 20 5 HFBDRN CC[C@@H]1OCC[C@H]1NC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001129633695 1078609148 /nfs/dbraw/zinc/60/91/48/1078609148.db2.gz HEJGYTVXWADVKY-OLZOCXBDSA-N 0 0 404.204 2.805 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1csnn1 ZINC001129949575 1078625047 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CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000747039974 1077542349 /nfs/dbraw/zinc/54/23/49/1077542349.db2.gz LKPYAEZHGRCFNM-WFASDCNBSA-N 0 0 408.455 2.587 20 5 HFBDRN COc1ncccc1C(=O)COC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000791732840 1077543524 /nfs/dbraw/zinc/54/35/24/1077543524.db2.gz OPKLOTQMEDSNNI-UHFFFAOYSA-N 0 0 414.292 2.979 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000791779600 1077550376 /nfs/dbraw/zinc/55/03/76/1077550376.db2.gz QERGDTOXZHZMDF-OAHLLOKOSA-N 0 0 403.322 2.738 20 5 HFBDRN C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000791747348 1077550722 /nfs/dbraw/zinc/55/07/22/1077550722.db2.gz CIXUAYNNSCMZRM-JTQLQIEISA-N 0 0 412.351 2.548 20 5 HFBDRN NC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Br)c1 ZINC000746809817 1077551477 /nfs/dbraw/zinc/55/14/77/1077551477.db2.gz PTOPRQVCQKYZTR-ZDUSSCGKSA-N 0 0 412.627 2.967 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000791754325 1077553083 /nfs/dbraw/zinc/55/30/83/1077553083.db2.gz LAJPVQKMJBWBDO-UHFFFAOYSA-N 0 0 402.384 2.519 20 5 HFBDRN CN(C)c1ccc(COC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)cc1[N+](=O)[O-] ZINC000789424159 1077553528 /nfs/dbraw/zinc/55/35/28/1077553528.db2.gz VRBMRTQPRZENFP-CQSZACIVSA-N 0 0 405.451 2.961 20 5 HFBDRN C[C@H](Nc1ccc(C(=O)OCC(=O)c2cnccn2)cc1[N+](=O)[O-])c1ccccn1 ZINC000791766366 1077557329 /nfs/dbraw/zinc/55/73/29/1077557329.db2.gz KELZOMNEAAAKSU-ZDUSSCGKSA-N 0 0 407.386 2.993 20 5 HFBDRN Cn1cc(C(=O)OCc2ccc(S(C)(=O)=O)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000791766540 1077557356 /nfs/dbraw/zinc/55/73/56/1077557356.db2.gz MIKSVHFVFFDHFQ-UHFFFAOYSA-N 0 0 415.427 2.756 20 5 HFBDRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000789428746 1077557633 /nfs/dbraw/zinc/55/76/33/1077557633.db2.gz QVSQNAFACNKKQY-DLBZAZTESA-N 0 0 417.462 2.974 20 5 HFBDRN Cn1ncc(C(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1Br ZINC000791797375 1077560617 /nfs/dbraw/zinc/56/06/17/1077560617.db2.gz WUDSGJJLEAKTJX-UHFFFAOYSA-N 0 0 424.255 2.559 20 5 HFBDRN NC(=O)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000746808000 1077566426 /nfs/dbraw/zinc/56/64/26/1077566426.db2.gz GYJBSWSRZCMNHY-FSNWXROXSA-N 0 0 404.220 2.713 20 5 HFBDRN Cc1cnc(COC(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)c(C)c1[N+](=O)[O-] ZINC000789437451 1077572545 /nfs/dbraw/zinc/57/25/45/1077572545.db2.gz DVTIOYCSFJLMLR-TWGQIWQCSA-N 0 0 405.432 2.735 20 5 HFBDRN CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000789443735 1077575634 /nfs/dbraw/zinc/57/56/34/1077575634.db2.gz YZHHMGAOJLENLH-ZDUSSCGKSA-N 0 0 407.448 2.795 20 5 HFBDRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)c1 ZINC000789445322 1077577708 /nfs/dbraw/zinc/57/77/08/1077577708.db2.gz DZJSEMOULJGXHT-UHFFFAOYSA-N 0 0 400.391 2.880 20 5 HFBDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000791880571 1077584675 /nfs/dbraw/zinc/58/46/75/1077584675.db2.gz PHZMYKMDDDPZSI-SCVCMEIPSA-N 0 0 403.332 2.886 20 5 HFBDRN O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ccnn1CC(F)F ZINC000789481281 1077587862 /nfs/dbraw/zinc/58/78/62/1077587862.db2.gz FOAHSPZGIBMFHW-UHFFFAOYSA-N 0 0 423.113 2.880 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000791867190 1077592225 /nfs/dbraw/zinc/59/22/25/1077592225.db2.gz ZTBRQQYWWHOWQQ-GFCCVEGCSA-N 0 0 403.322 2.738 20 5 HFBDRN COC(=O)c1cc(NC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c(C)c([N+](=O)[O-])c1 ZINC000791878364 1077595720 /nfs/dbraw/zinc/59/57/20/1077595720.db2.gz JPUKEVYUAMFSOO-JTQLQIEISA-N 0 0 410.427 2.725 20 5 HFBDRN O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789519461 1077614212 /nfs/dbraw/zinc/61/42/12/1077614212.db2.gz JUKZSOATMCEGBB-QGZVFWFLSA-N 0 0 402.388 2.848 20 5 HFBDRN COc1cc(/C=C\C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1O ZINC000791969209 1077614221 /nfs/dbraw/zinc/61/42/21/1077614221.db2.gz DCXRDUNUANVAGK-UTCJRWHESA-N 0 0 404.331 2.982 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791959254 1077632136 /nfs/dbraw/zinc/63/21/36/1077632136.db2.gz YAZNZGMOWCVOKL-KRWDZBQOSA-N 0 0 400.435 2.614 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000791998975 1077642241 /nfs/dbraw/zinc/64/22/41/1077642241.db2.gz XQJLKDSAYFGINV-GFCCVEGCSA-N 0 0 409.439 2.757 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N(CCO)Cc1ccc(Br)s1 ZINC000792018763 1077651992 /nfs/dbraw/zinc/65/19/92/1077651992.db2.gz ATDXVHVXPRVIMA-UHFFFAOYSA-N 0 0 400.254 2.636 20 5 HFBDRN O=c1ccc(-c2ccc3c(c2)OCCCO3)nn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789591267 1077672781 /nfs/dbraw/zinc/67/27/81/1077672781.db2.gz LBZYDBLCVSCNTB-UHFFFAOYSA-N 0 0 424.369 2.936 20 5 HFBDRN O=C(OCC[C@@H]1CCCCN1C(=O)c1csc(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000792067882 1077676470 /nfs/dbraw/zinc/67/64/70/1077676470.db2.gz YREDMZBBHBZBGY-ZDUSSCGKSA-N 0 0 405.432 2.999 20 5 HFBDRN CN(C)S(=O)(=O)c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789614139 1077683711 /nfs/dbraw/zinc/68/37/11/1077683711.db2.gz YBVTXKIFHBUXCV-UHFFFAOYSA-N 0 0 415.811 2.986 20 5 HFBDRN CSc1cccc(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)c1[N+](=O)[O-] ZINC000792149549 1077723283 /nfs/dbraw/zinc/72/32/83/1077723283.db2.gz CVJIYAIYEYUVJQ-UHFFFAOYSA-N 0 0 409.441 2.760 20 5 HFBDRN O=C(Oc1ccc([C@H]2CCOC2)cc1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000792155318 1077724975 /nfs/dbraw/zinc/72/49/75/1077724975.db2.gz PLKWFEOQYPCDDD-GOEBONIOSA-N 0 0 400.387 2.902 20 5 HFBDRN COc1ccc(OC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000792123691 1077728954 /nfs/dbraw/zinc/72/89/54/1077728954.db2.gz LQZKEOBITBNPBI-UHFFFAOYSA-N 0 0 406.416 2.535 20 5 HFBDRN COc1ccc(OC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000792123384 1077729151 /nfs/dbraw/zinc/72/91/51/1077729151.db2.gz LKGGNNUJTCSXQS-INIZCTEOSA-N 0 0 420.443 2.752 20 5 HFBDRN COCCNc1ccc(S(C)(=O)=O)cc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789673855 1077736569 /nfs/dbraw/zinc/73/65/69/1077736569.db2.gz ZYCKCWBSSSLCNF-UHFFFAOYSA-N 0 0 424.435 2.577 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)OCCC[NH+](C)C)cc1 ZINC000792203902 1077744124 /nfs/dbraw/zinc/74/41/24/1077744124.db2.gz SXHKQOQRHMXSPI-UHFFFAOYSA-N 0 0 421.475 2.813 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000789703057 1077744664 /nfs/dbraw/zinc/74/46/64/1077744664.db2.gz GPRLWALXHPCONB-MRXNPFEDSA-N 0 0 412.402 2.685 20 5 HFBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789707752 1077747733 /nfs/dbraw/zinc/74/77/33/1077747733.db2.gz CTUIFECJQKLKSW-HXUWFJFHSA-N 0 0 419.441 2.654 20 5 HFBDRN COC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000789718143 1077755414 /nfs/dbraw/zinc/75/54/14/1077755414.db2.gz ZKPIEAIIKHIWLY-GOSISDBHSA-N 0 0 405.338 2.850 20 5 HFBDRN Cc1nn(CCC(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)c(C)c1[N+](=O)[O-] ZINC000789719528 1077757472 /nfs/dbraw/zinc/75/74/72/1077757472.db2.gz RVWJWDNZKZOUNF-KRWDZBQOSA-N 0 0 413.478 2.645 20 5 HFBDRN COCn1nc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Br)c1C ZINC000789738193 1077772531 /nfs/dbraw/zinc/77/25/31/1077772531.db2.gz SLWQAPIUUSXJEP-UHFFFAOYSA-N 0 0 419.257 2.575 20 5 HFBDRN CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000792319299 1077805469 /nfs/dbraw/zinc/80/54/69/1077805469.db2.gz YVDABQUWDZDMQI-LBPRGKRZSA-N 0 0 405.842 2.638 20 5 HFBDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000772745380 1077817875 /nfs/dbraw/zinc/81/78/75/1077817875.db2.gz SYYVOKHAYSMQTJ-IBGZPJMESA-N 0 0 413.478 2.514 20 5 HFBDRN CO[C@]1(C)CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000792371550 1077819447 /nfs/dbraw/zinc/81/94/47/1077819447.db2.gz NZFYANGAQAPQHZ-MRXNPFEDSA-N 0 0 414.256 2.632 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747067109 1077826575 /nfs/dbraw/zinc/82/65/75/1077826575.db2.gz AYECLXODWSNMLX-CYBMUJFWSA-N 0 0 409.439 2.888 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000747069695 1077833226 /nfs/dbraw/zinc/83/32/26/1077833226.db2.gz KAWOWYOKSWMAOB-ZDUSSCGKSA-N 0 0 421.450 2.530 20 5 HFBDRN O=[N+]([O-])c1ccc(CSc2nnnn2-c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000789921137 1077847997 /nfs/dbraw/zinc/84/79/97/1077847997.db2.gz TXGGTBTUYBQKNI-UHFFFAOYSA-N 0 0 416.375 2.542 20 5 HFBDRN CN(C)c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2N)c1 ZINC000789922608 1077848406 /nfs/dbraw/zinc/84/84/06/1077848406.db2.gz QHKJJNDQDKARLY-UHFFFAOYSA-N 0 0 415.435 2.834 20 5 HFBDRN CCOCCCNC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000792473170 1077872154 /nfs/dbraw/zinc/87/21/54/1077872154.db2.gz PHBVMXMIPFZAEE-LLVKDONJSA-N 0 0 417.256 2.754 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1cccc(OCC(N)=O)c1 ZINC000792471760 1077872216 /nfs/dbraw/zinc/87/22/16/1077872216.db2.gz DDORUKVYFZBTEE-UHFFFAOYSA-N 0 0 423.219 2.887 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nnn(CC(F)(F)F)n1 ZINC000792473050 1077872313 /nfs/dbraw/zinc/87/23/13/1077872313.db2.gz NFHUKLPIEVPGAH-UHFFFAOYSA-N 0 0 424.133 2.572 20 5 HFBDRN CCOC(=O)CC[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1C ZINC000790044344 1077909910 /nfs/dbraw/zinc/90/99/10/1077909910.db2.gz LIFMPXVOCGIZBZ-SNVBAGLBSA-N 0 0 423.285 2.676 20 5 HFBDRN CNC(=O)c1cc2cc(NC(=O)CCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2[nH]1 ZINC000792584123 1077917548 /nfs/dbraw/zinc/91/75/48/1077917548.db2.gz UNVCADORIDSNIB-UHFFFAOYSA-N 0 0 411.374 2.915 20 5 HFBDRN COc1cc2c(c(OC)c1)S(=O)(=O)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2=O ZINC000790029154 1077919830 /nfs/dbraw/zinc/91/98/30/1077919830.db2.gz HKZAHLKCPQRZJJ-UHFFFAOYSA-N 0 0 412.807 2.610 20 5 HFBDRN NC(=O)c1ccc(COC(=O)c2cnc(Br)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000792586224 1077921707 /nfs/dbraw/zinc/92/17/07/1077921707.db2.gz MAXAKOJDSRAGAQ-UHFFFAOYSA-N 0 0 414.599 2.862 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1[N+](=O)[O-] ZINC000790073959 1077923250 /nfs/dbraw/zinc/92/32/50/1077923250.db2.gz OWQLUOYVMJWSQI-UHFFFAOYSA-N 0 0 418.740 2.931 20 5 HFBDRN COc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1[N+](=O)[O-] ZINC000792591133 1077925313 /nfs/dbraw/zinc/92/53/13/1077925313.db2.gz YPZHJKFZJVVHMY-JTQLQIEISA-N 0 0 419.321 2.609 20 5 HFBDRN Cc1c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1C ZINC000790118211 1077944087 /nfs/dbraw/zinc/94/40/87/1077944087.db2.gz WREWTMWXPKTXIY-UHFFFAOYSA-N 0 0 414.487 2.906 20 5 HFBDRN COC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000792625489 1077946142 /nfs/dbraw/zinc/94/61/42/1077946142.db2.gz FMNIMWBDXBWLAZ-UHFFFAOYSA-N 0 0 407.310 2.755 20 5 HFBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC001170335612 1077946923 /nfs/dbraw/zinc/94/69/23/1077946923.db2.gz OKAGMXBAIFPKKS-HNNXBMFYSA-N 0 0 415.425 2.537 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)[C@@H](O)[C@@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001170358192 1077949707 /nfs/dbraw/zinc/94/97/07/1077949707.db2.gz XXJPRGKQOLLTAH-DHUIEDIVSA-N 0 0 400.431 2.572 20 5 HFBDRN COc1ccc(C[C@@H](C)N2Cc3nccn3C[C@@H](Cn3cccn3)C2)c([N+](=O)[O-])c1 ZINC001170343559 1077953834 /nfs/dbraw/zinc/95/38/34/1077953834.db2.gz QOIOXJXJEUXMTF-IAGOWNOFSA-N 0 0 410.478 2.760 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCCn3c(CN(C)C(C)C)nnc3C2)c([N+](=O)[O-])c1 ZINC001170343787 1077953910 /nfs/dbraw/zinc/95/39/10/1077953910.db2.gz SSIVHGYDLQMSMN-INIZCTEOSA-N 0 0 416.526 2.872 20 5 HFBDRN CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)C=Cc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000790157016 1077961380 /nfs/dbraw/zinc/96/13/80/1077961380.db2.gz DEUUXLBDBHHYAC-FLIBITNWSA-N 0 0 421.413 2.886 20 5 HFBDRN Cc1c(Br)cccc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000790284015 1077984694 /nfs/dbraw/zinc/98/46/94/1077984694.db2.gz XSAOMUPUXGPQPL-UHFFFAOYSA-N 0 0 419.279 2.952 20 5 HFBDRN O=C(COC(=O)Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccccc1[N+](=O)[O-] ZINC000792751638 1077985673 /nfs/dbraw/zinc/98/56/73/1077985673.db2.gz HRAOVCPUYRJGBS-UHFFFAOYSA-N 0 0 406.778 2.744 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(COc2cc(F)c(Br)cc2[N+](=O)[O-])o1 ZINC000790295063 1077988142 /nfs/dbraw/zinc/98/81/42/1077988142.db2.gz BREDDKRKKUPJLC-UHFFFAOYSA-N 0 0 423.216 2.919 20 5 HFBDRN COC(=O)[C@H](CC(C)C)NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000790294886 1077988178 /nfs/dbraw/zinc/98/81/78/1077988178.db2.gz BDSZRMXUSHFENG-NSHDSACASA-N 0 0 421.219 2.579 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1F ZINC000790329651 1077998126 /nfs/dbraw/zinc/99/81/26/1077998126.db2.gz IIPIAJKQXVBTDS-UHFFFAOYSA-N 0 0 400.410 2.682 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)c1 ZINC000790350671 1078001736 /nfs/dbraw/zinc/00/17/36/1078001736.db2.gz HLELKLMHUUTVLG-UHFFFAOYSA-N 0 0 423.422 2.972 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)c2cnc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000792859385 1078010088 /nfs/dbraw/zinc/01/00/88/1078010088.db2.gz CFSNLVTVMRCMGX-UHFFFAOYSA-N 0 0 409.782 2.846 20 5 HFBDRN COC(=O)c1ccccc1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790384583 1078010999 /nfs/dbraw/zinc/01/09/99/1078010999.db2.gz OWLTYMCQOXFJKX-UHFFFAOYSA-N 0 0 423.403 2.732 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000746905649 1078012474 /nfs/dbraw/zinc/01/24/74/1078012474.db2.gz HTYCJGPFHQHTRA-UHFFFAOYSA-N 0 0 408.407 2.875 20 5 HFBDRN Nc1cccc(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000790374305 1078018038 /nfs/dbraw/zinc/01/80/38/1078018038.db2.gz ZZCAVDFZQFMLNO-UHFFFAOYSA-N 0 0 412.265 2.687 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)cc1Br ZINC000790404555 1078019205 /nfs/dbraw/zinc/01/92/05/1078019205.db2.gz RXEPZNBUJOSRKI-UONOGXRCSA-N 0 0 405.270 2.689 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000790405257 1078019460 /nfs/dbraw/zinc/01/94/60/1078019460.db2.gz VDGBERJUIJSJIC-AAEUAGOBSA-N 0 0 405.270 2.689 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000790411620 1078020705 /nfs/dbraw/zinc/02/07/05/1078020705.db2.gz ZKJQKMBJEXXCMS-STQMWFEESA-N 0 0 405.270 2.689 20 5 HFBDRN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ncc(C(C)(C)O)s2)cc1OC ZINC000792941623 1078022141 /nfs/dbraw/zinc/02/21/41/1078022141.db2.gz DYMOKERILQJYDR-UHFFFAOYSA-N 0 0 411.436 2.565 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOc3cccc(F)c32)c(C)c1[N+](=O)[O-] ZINC000790397947 1078025026 /nfs/dbraw/zinc/02/50/26/1078025026.db2.gz HUXUHSCCULQRCC-UHFFFAOYSA-N 0 0 411.367 2.847 20 5 HFBDRN CCOc1ccc(-n2ncc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)c2C)nn1 ZINC000746908559 1078026829 /nfs/dbraw/zinc/02/68/29/1078026829.db2.gz KYQCUKBVVWUHQU-UHFFFAOYSA-N 0 0 401.354 2.774 20 5 HFBDRN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000790433025 1078028997 /nfs/dbraw/zinc/02/89/97/1078028997.db2.gz GUQDHDWYDAQDKZ-CZUORRHYSA-N 0 0 424.450 2.741 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000792952541 1078033643 /nfs/dbraw/zinc/03/36/43/1078033643.db2.gz JIMOSEOHKVSPJK-QGZVFWFLSA-N 0 0 403.410 2.820 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCCOC2 ZINC000790448974 1078034812 /nfs/dbraw/zinc/03/48/12/1078034812.db2.gz CUBIDTGPIFZYMG-HNNXBMFYSA-N 0 0 419.297 2.857 20 5 HFBDRN COC(=O)CC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000792965009 1078037482 /nfs/dbraw/zinc/03/74/82/1078037482.db2.gz NJHRZPGLTLXMMH-UHFFFAOYSA-N 0 0 405.451 2.633 20 5 HFBDRN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000792965820 1078037834 /nfs/dbraw/zinc/03/78/34/1078037834.db2.gz BDKALRIREJNCMQ-CQSZACIVSA-N 0 0 420.466 2.568 20 5 HFBDRN O=C(COC(=O)CC[C@H]1Cc2ccccc2NC1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000746918219 1078040336 /nfs/dbraw/zinc/04/03/36/1078040336.db2.gz HQGDKXXFZMELNJ-ZDUSSCGKSA-N 0 0 415.377 2.807 20 5 HFBDRN C[C@H](O)c1ccc(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000792983387 1078040476 /nfs/dbraw/zinc/04/04/76/1078040476.db2.gz TXCYBXYZPPXWPV-JTQLQIEISA-N 0 0 422.235 2.666 20 5 HFBDRN C[C@@H](O)c1ccc(CNC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000792983389 1078040485 /nfs/dbraw/zinc/04/04/85/1078040485.db2.gz TXCYBXYZPPXWPV-SNVBAGLBSA-N 0 0 422.235 2.666 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000746918270 1078040525 /nfs/dbraw/zinc/04/05/25/1078040525.db2.gz IRZFOUVPLLCBOE-HNNXBMFYSA-N 0 0 411.414 2.976 20 5 HFBDRN COC(=O)[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2O1 ZINC001130589837 1079570580 /nfs/dbraw/zinc/57/05/80/1079570580.db2.gz TULADAXMDQNJTA-MRXNPFEDSA-N 0 0 406.391 2.793 20 5 HFBDRN CCCCC[C@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000806323367 1079595803 /nfs/dbraw/zinc/59/58/03/1079595803.db2.gz POJGKAJWPNYRPM-KRWDZBQOSA-N 0 0 419.526 2.750 20 5 HFBDRN COCc1nnc2n1CCN(C(=O)c1ccc(NCc3ccccc3)c([N+](=O)[O-])c1)C2 ZINC001130613224 1079638704 /nfs/dbraw/zinc/63/87/04/1079638704.db2.gz UIYLKJGJPDIEDP-UHFFFAOYSA-N 0 0 422.445 2.601 20 5 HFBDRN Cc1cc(=O)c(C(=O)NCC[C@]2(C)C[C@]2(F)Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC001130624055 1079667297 /nfs/dbraw/zinc/66/72/97/1079667297.db2.gz XPQDGAZQBYPBFH-QZTJIDSGSA-N 0 0 408.817 2.884 20 5 HFBDRN C[C@@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000806474401 1079703817 /nfs/dbraw/zinc/70/38/17/1079703817.db2.gz YVLHSPIZSAQXOT-CQSZACIVSA-N 0 0 420.491 2.911 20 5 HFBDRN C[C@H](NC(=O)N(C)CCc1ccccc1[N+](=O)[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000806474400 1079704042 /nfs/dbraw/zinc/70/40/42/1079704042.db2.gz YVLHSPIZSAQXOT-AWEZNQCLSA-N 0 0 420.491 2.911 20 5 HFBDRN CCOc1ccc(C(=O)N(C)[C@H](C(=O)OC)c2cccc(OC)c2)cc1[N+](=O)[O-] ZINC001130629498 1079708118 /nfs/dbraw/zinc/70/81/18/1079708118.db2.gz JXLUGWPCLMPHMF-SFHVURJKSA-N 0 0 402.403 2.988 20 5 HFBDRN COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001130629668 1079709146 /nfs/dbraw/zinc/70/91/46/1079709146.db2.gz NVYAZAGAQDXLOR-IBGZPJMESA-N 0 0 424.413 2.775 20 5 HFBDRN CCNC(=O)OC[C@H]1CCCCN1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000806459230 1079731658 /nfs/dbraw/zinc/73/16/58/1079731658.db2.gz BUJKOJDCAFXHFT-CQSZACIVSA-N 0 0 422.438 2.822 20 5 HFBDRN COc1ccc(C2=N/C(=C\c3cn(-c4ccccc4C)nn3)C(=O)O2)cc1[N+](=O)[O-] ZINC000806549482 1079786650 /nfs/dbraw/zinc/78/66/50/1079786650.db2.gz XGNCOFVZJVFRSP-GDNBJRDFSA-N 0 0 405.370 2.837 20 5 HFBDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000805263768 1079794362 /nfs/dbraw/zinc/79/43/62/1079794362.db2.gz KRVUNCSSOAECSB-BBRMVZONSA-N 0 0 415.450 2.908 20 5 HFBDRN CCc1cnc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)s1 ZINC000747340964 1079894212 /nfs/dbraw/zinc/89/42/12/1079894212.db2.gz PVCXUMLNYFDALL-LLVKDONJSA-N 0 0 406.439 2.764 20 5 HFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC001130746197 1080012514 /nfs/dbraw/zinc/01/25/14/1080012514.db2.gz DCTZFBCHMHWKMH-GXTWGEPZSA-N 0 0 416.400 2.729 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000747354968 1080036217 /nfs/dbraw/zinc/03/62/17/1080036217.db2.gz WIXJQNJWKJJWQZ-ZDUSSCGKSA-N 0 0 404.322 2.854 20 5 HFBDRN COc1ccc2cc(NC(=O)C(=O)NCCOc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000806893056 1080100008 /nfs/dbraw/zinc/10/00/08/1080100008.db2.gz UPTPEBFIRMEENO-UHFFFAOYSA-N 0 0 409.398 2.890 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1nc2c(s1)CSCC2 ZINC000806936675 1080144297 /nfs/dbraw/zinc/14/42/97/1080144297.db2.gz FPYHMGYSJLLUAC-UHFFFAOYSA-N 0 0 412.880 2.749 20 5 HFBDRN COc1ccc(N2C[C@@H](NC(=O)CSc3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC001130789006 1080145524 /nfs/dbraw/zinc/14/55/24/1080145524.db2.gz MGPQLXSWZLBESG-ZDUSSCGKSA-N 0 0 401.444 2.617 20 5 HFBDRN CC(=O)NCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)cc1 ZINC001130823506 1080203795 /nfs/dbraw/zinc/20/37/95/1080203795.db2.gz RKJSPAXJSKHUJV-UHFFFAOYSA-N 0 0 406.236 2.923 20 5 HFBDRN Cc1c(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000807084088 1080261713 /nfs/dbraw/zinc/26/17/13/1080261713.db2.gz HZDUNCYWZRBMFT-HXUWFJFHSA-N 0 0 411.458 2.804 20 5 HFBDRN Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCOC3=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000807221639 1080383508 /nfs/dbraw/zinc/38/35/08/1080383508.db2.gz FCJJPRYQTCNBHK-INIZCTEOSA-N 0 0 405.432 2.740 20 5 HFBDRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000807230903 1080389491 /nfs/dbraw/zinc/38/94/91/1080389491.db2.gz JTCTYXVXKVHJJA-PLNGDYQASA-N 0 0 401.423 2.591 20 5 HFBDRN COC(=O)c1cc(Br)ccc1OC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000747382869 1080421174 /nfs/dbraw/zinc/42/11/74/1080421174.db2.gz ABDFPWDPWJPZKW-UHFFFAOYSA-N 0 0 412.196 2.645 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)NCc2cccc(OC3CC3)c2F)cc1[N+](=O)[O-] ZINC001130899531 1080452206 /nfs/dbraw/zinc/45/22/06/1080452206.db2.gz MFJMVVMOWFUGAK-UHFFFAOYSA-N 0 0 408.407 2.609 20 5 HFBDRN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807362892 1080524199 /nfs/dbraw/zinc/52/41/99/1080524199.db2.gz ORQYKDAFDRKTLQ-UHFFFAOYSA-N 0 0 414.846 2.606 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@H]2C1 ZINC001130917845 1080544465 /nfs/dbraw/zinc/54/44/65/1080544465.db2.gz XROIJHGFRIBASF-AZUAARDMSA-N 0 0 411.458 2.719 20 5 HFBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807389909 1080585815 /nfs/dbraw/zinc/58/58/15/1080585815.db2.gz PDKSWVYKOFWDPG-UHFFFAOYSA-N 0 0 424.885 2.826 20 5 HFBDRN CN(C)c1nc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2[nH]1 ZINC000807434371 1080592393 /nfs/dbraw/zinc/59/23/93/1080592393.db2.gz KFXXRFUEUQGLLK-UHFFFAOYSA-N 0 0 410.434 2.626 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000807488261 1080673696 /nfs/dbraw/zinc/67/36/96/1080673696.db2.gz WEDOCZLFIWIFDE-OAHLLOKOSA-N 0 0 411.336 2.710 20 5 HFBDRN O=C(NC[C@H](CO)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807522730 1080775604 /nfs/dbraw/zinc/77/56/04/1080775604.db2.gz ZEJIXIZYBDFQCD-LLVKDONJSA-N 0 0 412.229 2.732 20 5 HFBDRN Nc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001164673924 719511968 /nfs/dbraw/zinc/51/19/68/719511968.db2.gz TVAIXCGAOBGPEZ-UHFFFAOYSA-N 0 0 401.442 2.583 20 5 HFBDRN O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164700323 719886622 /nfs/dbraw/zinc/88/66/22/719886622.db2.gz JUADICZJYYFRFC-UHFFFAOYSA-N 0 0 409.899 2.971 20 5 HFBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3ncc(Cn4cccn4)n3CC2)c1 ZINC001164862063 721032292 /nfs/dbraw/zinc/03/22/92/721032292.db2.gz LPGNOSNVIWUTHD-UHFFFAOYSA-N 0 0 423.811 2.692 20 5 HFBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164779098 721345385 /nfs/dbraw/zinc/34/53/85/721345385.db2.gz QXHSQRJQBSKVLM-FQEVSTJZSA-N 0 0 419.457 2.853 20 5 HFBDRN COc1cc2ncnc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164782448 721411314 /nfs/dbraw/zinc/41/13/14/721411314.db2.gz GLQUBISOZRKBQI-STQMWFEESA-N 0 0 412.475 2.571 20 5 HFBDRN Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164799072 721536761 /nfs/dbraw/zinc/53/67/61/721536761.db2.gz AMZHAMULLKJEQH-YQQAZPJKSA-N 0 0 418.885 2.610 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])c4ccccc43)C[C@@H]21 ZINC001164941409 721944006 /nfs/dbraw/zinc/94/40/06/721944006.db2.gz HGMZVSUKFKDBLS-VQTJNVASSA-N 0 0 409.446 2.837 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001164940511 721944317 /nfs/dbraw/zinc/94/43/17/721944317.db2.gz BGQXNRODOUWGQY-RBUKOAKNSA-N 0 0 409.446 2.837 20 5 HFBDRN 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415.402 2.504 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000794045308 1078365272 /nfs/dbraw/zinc/36/52/72/1078365272.db2.gz RNMAHYLDVZJKEN-UHFFFAOYSA-N 0 0 414.418 2.793 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000794046053 1078365488 /nfs/dbraw/zinc/36/54/88/1078365488.db2.gz WBEHALONIUPJGI-UHFFFAOYSA-N 0 0 422.482 2.509 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3ccnc(-n4ccnc4)c3)CC2)ccc1[N+](=O)[O-] ZINC000794049359 1078365896 /nfs/dbraw/zinc/36/58/96/1078365896.db2.gz VXPBRVBXRNCURO-UHFFFAOYSA-N 0 0 422.445 2.537 20 5 HFBDRN COC(=O)c1cc(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc([N+](=O)[O-])c1 ZINC000794101775 1078372322 /nfs/dbraw/zinc/37/23/22/1078372322.db2.gz WOKLYTDDSKAAGD-UHFFFAOYSA-N 0 0 403.322 2.729 20 5 HFBDRN O=Cc1ccc(OCC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000794221117 1078386032 /nfs/dbraw/zinc/38/60/32/1078386032.db2.gz ANOMWBZFQUZHDU-ZWKOTPCHSA-N 0 0 406.398 2.644 20 5 HFBDRN CC(C)c1n[nH]c(C(=O)N[C@@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000794228777 1078388779 /nfs/dbraw/zinc/38/87/79/1078388779.db2.gz ITKOQXAHARSFKW-FQEVSTJZSA-N 0 0 415.450 2.972 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(F)c(N2C(=O)CNC2=O)c1 ZINC000794301807 1078404909 /nfs/dbraw/zinc/40/49/09/1078404909.db2.gz RILNFEKPTUGAPO-UHFFFAOYSA-N 0 0 424.747 2.764 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000794311544 1078408428 /nfs/dbraw/zinc/40/84/28/1078408428.db2.gz CRSWAIZQTHCFIT-IIBYNOLFSA-N 0 0 403.479 2.851 20 5 HFBDRN CC(C)Oc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C(N)=O ZINC000794355282 1078423404 /nfs/dbraw/zinc/42/34/04/1078423404.db2.gz UGPDGBKZHJONLM-UHFFFAOYSA-N 0 0 416.390 2.960 20 5 HFBDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)CN(C)c4cc(Br)ccc4[N+](=O)[O-])[C@H]1[C@H]3C2 ZINC000804382374 1078440522 /nfs/dbraw/zinc/44/05/22/1078440522.db2.gz CFDCDLRWASHSIF-RRGUEFANSA-N 0 0 424.295 2.675 20 5 HFBDRN CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001129398520 1078438830 /nfs/dbraw/zinc/43/88/30/1078438830.db2.gz ROMAMTFKVHCVBF-UHFFFAOYSA-N 0 0 412.402 2.766 20 5 HFBDRN CC(C)NS(=O)(=O)Cc1ccc(CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])cc1 ZINC000804375032 1078438946 /nfs/dbraw/zinc/43/89/46/1078438946.db2.gz JTLVPWCLTJMETJ-UHFFFAOYSA-N 0 0 408.436 2.943 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804405212 1078455968 /nfs/dbraw/zinc/45/59/68/1078455968.db2.gz JBBYPXLNLVRYPQ-CYBMUJFWSA-N 0 0 408.455 2.921 20 5 HFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000804397403 1078462709 /nfs/dbraw/zinc/46/27/09/1078462709.db2.gz SMMDEMLNPCMNPA-OLZOCXBDSA-N 0 0 403.204 2.516 20 5 HFBDRN O=C(c1n[nH]c2ccc(Cl)cc21)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129439696 1078466183 /nfs/dbraw/zinc/46/61/83/1078466183.db2.gz HPUNCAFCLGRUGE-UHFFFAOYSA-N 0 0 413.821 2.723 20 5 HFBDRN COc1cc(OC)nc(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000804424998 1078471980 /nfs/dbraw/zinc/47/19/80/1078471980.db2.gz LLYKTGXZOAMDQP-UHFFFAOYSA-N 0 0 413.356 2.747 20 5 HFBDRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC001129768628 1078477284 /nfs/dbraw/zinc/47/72/84/1078477284.db2.gz SUUHDDIURPVGAP-UHFFFAOYSA-N 0 0 412.851 2.737 20 5 HFBDRN Cn1c2cc(N[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804452247 1078488430 /nfs/dbraw/zinc/48/84/30/1078488430.db2.gz DFRTYXRNNBHHRB-CYBMUJFWSA-N 0 0 419.482 2.987 20 5 HFBDRN C[C@@H]1C[C@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC001129805664 1078502181 /nfs/dbraw/zinc/50/21/81/1078502181.db2.gz PSZRXKKHBUOHLQ-GRYCIOLGSA-N 0 0 400.273 2.723 20 5 HFBDRN COc1cccc(C2(CNC(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)CC2)c1 ZINC001129495433 1078514206 /nfs/dbraw/zinc/51/42/06/1078514206.db2.gz VMETZKYRSROPSY-UHFFFAOYSA-N 0 0 407.430 2.705 20 5 HFBDRN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439945 1078504797 /nfs/dbraw/zinc/50/47/97/1078504797.db2.gz ODPFDEGPEGLATE-HKUYNNGSSA-N 0 0 416.522 2.766 20 5 HFBDRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000804676174 1078513607 /nfs/dbraw/zinc/51/36/07/1078513607.db2.gz VIVZVDOWRZNWNB-AWEZNQCLSA-N 0 0 407.423 2.797 20 5 HFBDRN COC(=O)c1cccc2c1N(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N2 ZINC001129528209 1078520498 /nfs/dbraw/zinc/52/04/98/1078520498.db2.gz XKJUJIYKBLVYTM-KNXALSJPSA-N 0 0 409.398 2.859 20 5 HFBDRN C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC001129828429 1078522678 /nfs/dbraw/zinc/52/26/78/1078522678.db2.gz JMCCFYWPMGRGAN-INIZCTEOSA-N 0 0 406.446 2.522 20 5 HFBDRN CC(C)Oc1cccc([C@@H](O)CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)c1 ZINC000804463008 1078525481 /nfs/dbraw/zinc/52/54/81/1078525481.db2.gz YKGKWQFKXJNXJM-IBGZPJMESA-N 0 0 400.435 2.718 20 5 HFBDRN CN(C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC001129832377 1078543608 /nfs/dbraw/zinc/54/36/08/1078543608.db2.gz RONOYHTUEZCXPZ-UHFFFAOYSA-N 0 0 418.372 2.921 20 5 HFBDRN CCO[C@@H](C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)n1 ZINC000804518259 1078559012 /nfs/dbraw/zinc/55/90/12/1078559012.db2.gz UMHFCTSAYNKUPN-AWEZNQCLSA-N 0 0 403.439 2.600 20 5 HFBDRN CCOc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)cc1[N+](=O)[O-] ZINC001129890066 1078560841 /nfs/dbraw/zinc/56/08/41/1078560841.db2.gz UFSYPSKMAYOHGI-LLVKDONJSA-N 0 0 405.432 2.980 20 5 HFBDRN C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cscn1 ZINC001129611171 1078581917 /nfs/dbraw/zinc/58/19/17/1078581917.db2.gz FWAFVGKXMQTDEA-ZDUSSCGKSA-N 0 0 402.476 2.702 20 5 HFBDRN CSc1nc(C(C)C)nc(C)c1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129611296 1078581921 /nfs/dbraw/zinc/58/19/21/1078581921.db2.gz ZRPLNVHQSMAXJM-UHFFFAOYSA-N 0 0 416.507 2.896 20 5 HFBDRN CC(C)[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1nncn1C ZINC000804780210 1078606424 /nfs/dbraw/zinc/60/64/24/1078606424.db2.gz UHWDVFWYRPTYLV-LBPRGKRZSA-N 0 0 407.374 2.826 20 5 HFBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000804760528 1078609497 /nfs/dbraw/zinc/60/94/97/1078609497.db2.gz UCDIEDVCLNRYHK-LJQANCHMSA-N 0 0 416.478 2.727 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763803 1078620546 /nfs/dbraw/zinc/62/05/46/1078620546.db2.gz QYZBUSVHFFXSBV-INIZCTEOSA-N 0 0 418.494 2.670 20 5 HFBDRN O=C(c1ccccc1)N1C[C@@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])N2CC[C@H]1C2 ZINC000804595022 1078631312 /nfs/dbraw/zinc/63/13/12/1078631312.db2.gz FHZLILJKSAJMBZ-JKSUJKDBSA-N 0 0 411.418 2.514 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000804790782 1078648885 /nfs/dbraw/zinc/64/88/85/1078648885.db2.gz FVWCAUNDIZKZBE-AWEZNQCLSA-N 0 0 410.732 2.967 20 5 HFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCc2c(Cl)ccc(Br)c21 ZINC001129692667 1078653333 /nfs/dbraw/zinc/65/33/33/1078653333.db2.gz XFCSXRVFQSKZPZ-UHFFFAOYSA-N 0 0 400.620 2.582 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000804609515 1078654280 /nfs/dbraw/zinc/65/42/80/1078654280.db2.gz CFNWTHNKFQZUBA-UHFFFAOYSA-N 0 0 414.418 2.540 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c1 ZINC000804608574 1078654364 /nfs/dbraw/zinc/65/43/64/1078654364.db2.gz BVLCHWFPOVPDIU-UHFFFAOYSA-N 0 0 410.390 2.592 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000804847522 1078654823 /nfs/dbraw/zinc/65/48/23/1078654823.db2.gz BOIHHXKOXSSYGP-PBFPGSCMSA-N 0 0 409.487 2.640 20 5 HFBDRN COC(=O)c1cn([C@@H]2CCCN(c3ccc(C)c(Br)c3[N+](=O)[O-])C2)nn1 ZINC000804615507 1078665088 /nfs/dbraw/zinc/66/50/88/1078665088.db2.gz SYKJFFDVNRDVLE-LLVKDONJSA-N 0 0 424.255 2.885 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000747216084 1078666220 /nfs/dbraw/zinc/66/62/20/1078666220.db2.gz GOCYWSYDNVOIKK-MRXNPFEDSA-N 0 0 423.466 2.828 20 5 HFBDRN CCN(C)c1ccccc1CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000804829428 1078669321 /nfs/dbraw/zinc/66/93/21/1078669321.db2.gz UXAIZQSWXONFCY-UHFFFAOYSA-N 0 0 410.474 2.858 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)CC1 ZINC000804833768 1078673275 /nfs/dbraw/zinc/67/32/75/1078673275.db2.gz KGSIPMWGKFIWQB-AWEZNQCLSA-N 0 0 421.454 2.634 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000747218046 1078675988 /nfs/dbraw/zinc/67/59/88/1078675988.db2.gz QCUAHQWJZLEGDT-UHFFFAOYSA-N 0 0 424.501 2.843 20 5 HFBDRN COC(=O)/C=C/c1ccc(N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000804841504 1078680676 /nfs/dbraw/zinc/68/06/76/1078680676.db2.gz VVRLLOBRNAVJMZ-DXWDOBMASA-N 0 0 403.822 2.943 20 5 HFBDRN CCS(=O)(=O)CCCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC001129732817 1078680804 /nfs/dbraw/zinc/68/08/04/1078680804.db2.gz DQTOVVZIPYDQQV-UHFFFAOYSA-N 0 0 406.460 2.728 20 5 HFBDRN NC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])C1 ZINC001129736550 1078683425 /nfs/dbraw/zinc/68/34/25/1078683425.db2.gz OZCYBQGLFXOAFI-HSZRJFAPSA-N 0 0 416.437 2.926 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000804642784 1078695955 /nfs/dbraw/zinc/69/59/55/1078695955.db2.gz SDIBGAUHAQOZCH-HOCLYGCPSA-N 0 0 417.418 2.851 20 5 HFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(F)(F)C(F)(F)C1 ZINC001129756419 1078700692 /nfs/dbraw/zinc/70/06/92/1078700692.db2.gz SZBWPPMQJYGJAB-UHFFFAOYSA-N 0 0 410.345 2.976 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000804877319 1078701140 /nfs/dbraw/zinc/70/11/40/1078701140.db2.gz GWVJWYPEHSEUJL-ZDUSSCGKSA-N 0 0 408.430 2.980 20 5 HFBDRN CS(=O)(=O)c1c(F)cccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001129761636 1078705689 /nfs/dbraw/zinc/70/56/89/1078705689.db2.gz VXFQLRJXUCYVDE-UHFFFAOYSA-N 0 0 418.406 2.635 20 5 HFBDRN CCS(=O)(=O)c1cc(Cl)cc(CNC(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC001129766676 1078708357 /nfs/dbraw/zinc/70/83/57/1078708357.db2.gz DCEZSQKGGOUGFO-UHFFFAOYSA-N 0 0 412.851 2.980 20 5 HFBDRN COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000804885204 1078713995 /nfs/dbraw/zinc/71/39/95/1078713995.db2.gz MAJZVWDHYLEDLQ-MRXNPFEDSA-N 0 0 421.450 2.528 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000804634532 1078715381 /nfs/dbraw/zinc/71/53/81/1078715381.db2.gz WXSVISLFAAOERQ-HIFRSBDPSA-N 0 0 416.434 2.586 20 5 HFBDRN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000804661095 1078730362 /nfs/dbraw/zinc/73/03/62/1078730362.db2.gz QAKROFLOFGGGSV-GFCCVEGCSA-N 0 0 401.366 2.889 20 5 HFBDRN NC(=O)[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC001129745524 1078721981 /nfs/dbraw/zinc/72/19/81/1078721981.db2.gz NTWAYGQJFAKLGX-JKSUJKDBSA-N 0 0 418.247 2.698 20 5 HFBDRN O=C(N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc2c(n1)OCCO2 ZINC001129746794 1078723501 /nfs/dbraw/zinc/72/35/01/1078723501.db2.gz INFVVOMJRZTTOF-CYBMUJFWSA-N 0 0 401.272 2.934 20 5 HFBDRN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001129750130 1078729823 /nfs/dbraw/zinc/72/98/23/1078729823.db2.gz IIMGCSBMXFZZHQ-IBGZPJMESA-N 0 0 423.404 2.514 20 5 HFBDRN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 ZINC000804897979 1078754552 /nfs/dbraw/zinc/75/45/52/1078754552.db2.gz AAZFAGCNZBSWMX-UHFFFAOYSA-N 0 0 400.366 2.706 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N(C[C@@H]2CCCO2)c2ccc(Br)cn2)n1 ZINC001130011767 1078761780 /nfs/dbraw/zinc/76/17/80/1078761780.db2.gz XWLIYARLUYXXAN-LBPRGKRZSA-N 0 0 424.255 2.795 20 5 HFBDRN COc1ccc(C(=O)NC[C@@H](O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000747224721 1078785476 /nfs/dbraw/zinc/78/54/76/1078785476.db2.gz BLSSCSFJMRZLPE-CQSZACIVSA-N 0 0 400.309 2.965 20 5 HFBDRN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC001130028833 1078800411 /nfs/dbraw/zinc/80/04/11/1078800411.db2.gz RUYDRTAASXQVGJ-SFHVURJKSA-N 0 0 401.850 2.880 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC001130055691 1078842079 /nfs/dbraw/zinc/84/20/79/1078842079.db2.gz OCBQHOMTZLKUOP-WKILWMFISA-N 0 0 402.495 2.853 20 5 HFBDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121421 1078915035 /nfs/dbraw/zinc/91/50/35/1078915035.db2.gz CTCYDMDZITWXDZ-MRXNPFEDSA-N 0 0 418.393 2.809 20 5 HFBDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000805133927 1078931163 /nfs/dbraw/zinc/93/11/63/1078931163.db2.gz PFDCFTPWTMOMTP-GWCFXTLKSA-N 0 0 419.887 2.924 20 5 HFBDRN 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ZINC000791487398 1077427689 /nfs/dbraw/zinc/42/76/89/1077427689.db2.gz SDQNJSPVKNSNKF-CYBMUJFWSA-N 0 0 402.451 2.874 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)c1Br ZINC000789139786 1077429605 /nfs/dbraw/zinc/42/96/05/1077429605.db2.gz INKFHRKLACQUPL-LBPRGKRZSA-N 0 0 423.223 2.605 20 5 HFBDRN C[C@H](OC(=O)c1ccn(CC(F)F)n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000789148966 1077435372 /nfs/dbraw/zinc/43/53/72/1077435372.db2.gz CUBJLXFWGMQHBS-QMMMGPOBSA-N 0 0 402.741 2.894 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(O[C@H]2CCOC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000789193406 1077455159 /nfs/dbraw/zinc/45/51/59/1077455159.db2.gz NGYVFZRZLVJJNZ-CJNGLKHVSA-N 0 0 400.387 2.947 20 5 HFBDRN O=C(COC(=O)C12CC(c3ccccc3)(C1)C2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000791567998 1077464180 /nfs/dbraw/zinc/46/41/80/1077464180.db2.gz JHLTZKQTBVJBNZ-UHFFFAOYSA-N 0 0 410.382 2.927 20 5 HFBDRN O=C(CN1C(=O)COc2ccc(Cl)cc21)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791576127 1077468168 /nfs/dbraw/zinc/46/81/68/1077468168.db2.gz WGABEKHNNFWKGP-UHFFFAOYSA-N 0 0 421.749 2.625 20 5 HFBDRN COc1cc(CC(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1O ZINC000789250184 1077473274 /nfs/dbraw/zinc/47/32/74/1077473274.db2.gz FVZJFCBVPWXUKC-GFCCVEGCSA-N 0 0 418.402 2.739 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(OC2CC2)cc1OC ZINC000791611809 1077486769 /nfs/dbraw/zinc/48/67/69/1077486769.db2.gz BZXDRCCBBHZBOT-UHFFFAOYSA-N 0 0 416.386 2.949 20 5 HFBDRN Cc1sc2ncn(CC(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)c2c1C ZINC000791589338 1077493574 /nfs/dbraw/zinc/49/35/74/1077493574.db2.gz NBBBBFKMJIGXJG-UHFFFAOYSA-N 0 0 418.387 2.635 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 ZINC000789286378 1077496771 /nfs/dbraw/zinc/49/67/71/1077496771.db2.gz OHQBZZGKEYYYDH-AWEZNQCLSA-N 0 0 419.434 2.642 20 5 HFBDRN COCc1cccc(COC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 ZINC000747025272 1077501255 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WIKAAFITMOWLLO-UHFFFAOYSA-N 0 0 412.377 2.957 20 5 HFBDRN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@@H](C2CC2)O1 ZINC000791843095 1077582184 /nfs/dbraw/zinc/58/21/84/1077582184.db2.gz ZSIQUBIEVVXLNV-OTYXRUKQSA-N 0 0 416.215 2.839 20 5 HFBDRN Cn1ncc(C(=O)O[C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c1Br ZINC000791889334 1077587088 /nfs/dbraw/zinc/58/70/88/1077587088.db2.gz PGHPONOKPNVDTF-JTQLQIEISA-N 0 0 413.203 2.666 20 5 HFBDRN Cn1ncc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)c1Br ZINC000791889336 1077587131 /nfs/dbraw/zinc/58/71/31/1077587131.db2.gz PGHPONOKPNVDTF-SNVBAGLBSA-N 0 0 413.203 2.666 20 5 HFBDRN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746819993 1077608325 /nfs/dbraw/zinc/60/83/25/1077608325.db2.gz AAXIULQEODSXJF-UHFFFAOYSA-N 0 0 408.336 2.802 20 5 HFBDRN COc1ccc(S(C)(=O)=O)cc1COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000789522351 1077618195 /nfs/dbraw/zinc/61/81/95/1077618195.db2.gz DVXWFNPJZUMBOI-UHFFFAOYSA-N 0 0 415.370 2.842 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000746826899 1077623611 /nfs/dbraw/zinc/62/36/11/1077623611.db2.gz AOEIQCUCQXRHTM-OAHLLOKOSA-N 0 0 406.483 2.746 20 5 HFBDRN CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC[C@@H]1CCC(C)(C)O1 ZINC000792021587 1077653555 /nfs/dbraw/zinc/65/35/55/1077653555.db2.gz RJPXLBQIMQBQSN-NWDGAFQWSA-N 0 0 400.453 2.540 20 5 HFBDRN CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000789587944 1077671174 /nfs/dbraw/zinc/67/11/74/1077671174.db2.gz JTUQHRICVWLBKA-LJQANCHMSA-N 0 0 414.374 2.869 20 5 HFBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)NCc1ccnc(-c2ccccc2)c1 ZINC001170112951 1077686793 /nfs/dbraw/zinc/68/67/93/1077686793.db2.gz SLNWMLFXYZJOKK-UHFFFAOYSA-N 0 0 419.441 2.772 20 5 HFBDRN COc1ccc(CNC(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000746833127 1077694032 /nfs/dbraw/zinc/69/40/32/1077694032.db2.gz JLTIRKGEHQXOCQ-OAHLLOKOSA-N 0 0 419.381 2.825 20 5 HFBDRN 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CCOC[C@H](NC(=O)c1ccc(I)c([N+](=O)[O-])c1)C(C)C ZINC000789691224 1077729562 /nfs/dbraw/zinc/72/95/62/1077729562.db2.gz NUGMMWVBGQTAGE-LBPRGKRZSA-N 0 0 406.220 2.990 20 5 HFBDRN COc1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-] ZINC000792124281 1077729925 /nfs/dbraw/zinc/72/99/25/1077729925.db2.gz WMPMKLMKPLXOHH-UHFFFAOYSA-N 0 0 403.347 2.567 20 5 HFBDRN CCCn1ncnc1COC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000789699682 1077731448 /nfs/dbraw/zinc/73/14/48/1077731448.db2.gz RFPSGFGLCOGFID-UHFFFAOYSA-N 0 0 416.175 2.558 20 5 HFBDRN CON(C)C(=O)c1cc(F)ccc1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000789680373 1077739282 /nfs/dbraw/zinc/73/92/82/1077739282.db2.gz AACGGYYLNZGULR-KRWDZBQOSA-N 0 0 402.382 2.585 20 5 HFBDRN COC(=O)C[C@@](C)(NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1cccc(F)c1 ZINC000789716796 1077754789 /nfs/dbraw/zinc/75/47/89/1077754789.db2.gz NFMAAEBWJCBBKS-HXUWFJFHSA-N 0 0 414.393 2.678 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c(C)c1 ZINC000789719950 1077757174 /nfs/dbraw/zinc/75/71/74/1077757174.db2.gz MPYHSBFLNKKWFW-OAHLLOKOSA-N 0 0 411.414 2.784 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000746859575 1077792663 /nfs/dbraw/zinc/79/26/63/1077792663.db2.gz MOUPBGGYMGBCBF-UONOGXRCSA-N 0 0 407.471 2.506 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(Oc2ccc(F)nc2)CC1 ZINC000792389448 1077831822 /nfs/dbraw/zinc/83/18/22/1077831822.db2.gz OSRQYUMAKOKOCD-UHFFFAOYSA-N 0 0 404.398 2.619 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000747069237 1077836384 /nfs/dbraw/zinc/83/63/84/1077836384.db2.gz JFYQGSYLRCMFLC-ZDUSSCGKSA-N 0 0 421.450 2.530 20 5 HFBDRN O=C(CN1CCO[C@H](COc2ccccc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792377216 1077843618 /nfs/dbraw/zinc/84/36/18/1077843618.db2.gz NGJOCPWWXPOKTC-INIZCTEOSA-N 0 0 405.838 2.967 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1Br ZINC000789868316 1077844108 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Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCCC(=O)OC(C)(C)C ZINC000790026245 1077918395 /nfs/dbraw/zinc/91/83/95/1077918395.db2.gz NTUCQHVNTCVCNH-UHFFFAOYSA-N 0 0 423.285 2.676 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)N(CC)c2nc3ccccc3s2)c1[N+](=O)[O-] ZINC000790073014 1077922907 /nfs/dbraw/zinc/92/29/07/1077922907.db2.gz HQJOUXBKJVBKJE-UHFFFAOYSA-N 0 0 403.420 2.700 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)c2ccc(NC(=O)CC(C)C)cc2)c1[N+](=O)[O-] ZINC000790073947 1077923276 /nfs/dbraw/zinc/92/32/76/1077923276.db2.gz OQJIHCWGZVNGQP-UHFFFAOYSA-N 0 0 402.407 2.905 20 5 HFBDRN CCc1[nH]nc(C(=O)O[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000790078470 1077924481 /nfs/dbraw/zinc/92/44/81/1077924481.db2.gz NGUHXTDFKUPBKA-MRVPVSSYSA-N 0 0 416.312 2.963 20 5 HFBDRN Cc1nsc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000790053027 1077932783 /nfs/dbraw/zinc/93/27/83/1077932783.db2.gz OVEHGVGJMKWBSB-UHFFFAOYSA-N 0 0 401.370 2.736 20 5 HFBDRN COc1ccc(C[C@H](C)N[C@H](C(=O)OCc2ccccc2)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC001170305361 1077933158 /nfs/dbraw/zinc/93/31/58/1077933158.db2.gz JPDCZBCJYBWEDG-MDOVXXIYSA-N 0 0 402.447 2.617 20 5 HFBDRN COC(=O)[C@H](COCc1ccccc1)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313808 1077940812 /nfs/dbraw/zinc/94/08/12/1077940812.db2.gz RNKPADNEYRGEFE-KXBFYZLASA-N 0 0 402.447 2.882 20 5 HFBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746877979 1077944052 /nfs/dbraw/zinc/94/40/52/1077944052.db2.gz QZARFPNNJVWYAC-OIJAAMDRSA-N 0 0 400.460 2.902 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170335511 1077946931 /nfs/dbraw/zinc/94/69/31/1077946931.db2.gz OVZHDNZLRZXFQR-RHSMWYFYSA-N 0 0 409.483 2.760 20 5 HFBDRN COCCN(C)c1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cn1 ZINC000790214832 1077971912 /nfs/dbraw/zinc/97/19/12/1077971912.db2.gz LSCPIZKSDRSWMA-SOFGYWHQSA-N 0 0 407.430 2.938 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3cc([N+](=O)[O-])ccc3Cl)cc2CC1 ZINC000790226299 1077980481 /nfs/dbraw/zinc/98/04/81/1077980481.db2.gz ZZPMTNBXCMULAH-UHFFFAOYSA-N 0 0 424.862 2.963 20 5 HFBDRN COC(=O)CCCc1nc(COc2cc(F)c(Br)cc2[N+](=O)[O-])no1 ZINC000790295568 1077988687 /nfs/dbraw/zinc/98/86/87/1077988687.db2.gz KXPHIZSOQZWXEA-UHFFFAOYSA-N 0 0 418.175 2.954 20 5 HFBDRN CC(C)(C)OC(=O)N1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000790266663 1077990219 /nfs/dbraw/zinc/99/02/19/1077990219.db2.gz IFPUQBBKJFOTBW-UHFFFAOYSA-N 0 0 420.510 2.874 20 5 HFBDRN Cc1cc(F)ccc1CN(C)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000792785470 1077990617 /nfs/dbraw/zinc/99/06/17/1077990617.db2.gz XTGIIRUCRSTTEW-UHFFFAOYSA-N 0 0 423.422 2.820 20 5 HFBDRN O=C(Nc1cccc(F)c1)OC1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000790350052 1078001039 /nfs/dbraw/zinc/00/10/39/1078001039.db2.gz AOESNULTCSHGRW-UHFFFAOYSA-N 0 0 423.422 2.539 20 5 HFBDRN O=[N+]([O-])c1ccc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)c2nonc21 ZINC000747088537 1078001203 /nfs/dbraw/zinc/00/12/03/1078001203.db2.gz UUNIIPQUADJYQB-UHFFFAOYSA-N 0 0 417.447 2.644 20 5 HFBDRN Nc1cc([N+](=O)[O-])ccc1C(=O)OCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000746902193 1078008287 /nfs/dbraw/zinc/00/82/87/1078008287.db2.gz ZOFBQMVAOUFRKU-UHFFFAOYSA-N 0 0 417.378 2.777 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)c1F ZINC000790383736 1078010154 /nfs/dbraw/zinc/01/01/54/1078010154.db2.gz JKUFFMDBTOYBRP-UHFFFAOYSA-N 0 0 424.450 2.987 20 5 HFBDRN COC(=O)C1=C(C)O[C@@H](CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000792899290 1078019266 /nfs/dbraw/zinc/01/92/66/1078019266.db2.gz RSPATSSFBPTASF-LLVKDONJSA-N 0 0 411.252 2.951 20 5 HFBDRN CC(C)[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000790399826 1078025859 /nfs/dbraw/zinc/02/58/59/1078025859.db2.gz KSXUWOREFPRJSX-RBUKOAKNSA-N 0 0 419.865 2.852 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)ccc1Br ZINC000790402381 1078026896 /nfs/dbraw/zinc/02/68/96/1078026896.db2.gz GSLJLAQKNISRHQ-TZMCWYRMSA-N 0 0 405.270 2.689 20 5 HFBDRN CCOC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000792972381 1078029762 /nfs/dbraw/zinc/02/97/62/1078029762.db2.gz BWOYKAIFZBBVFS-UHFFFAOYSA-N 0 0 420.466 2.522 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCN(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000792959187 1078035988 /nfs/dbraw/zinc/03/59/88/1078035988.db2.gz KNWZPNLNBOBMJW-UHFFFAOYSA-N 0 0 411.462 2.575 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000790455958 1078036960 /nfs/dbraw/zinc/03/69/60/1078036960.db2.gz ANTIOMFTTMEVLD-LBPRGKRZSA-N 0 0 404.872 2.515 20 5 HFBDRN CCS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000790475086 1078039589 /nfs/dbraw/zinc/03/95/89/1078039589.db2.gz JIDUBHMHFSVPBS-LLVKDONJSA-N 0 0 416.452 2.567 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2nnc(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000792983994 1078040621 /nfs/dbraw/zinc/04/06/21/1078040621.db2.gz VPOZBVKLFYQNIH-UHFFFAOYSA-N 0 0 422.445 2.932 20 5 HFBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCCC12OCCO2)c1ccccc1[N+](=O)[O-] ZINC000806344607 1079616913 /nfs/dbraw/zinc/61/69/13/1079616913.db2.gz KUNUJLGMLRLGFK-CVEARBPZSA-N 0 0 406.435 2.637 20 5 HFBDRN CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCC12OCCO2)c1ccccc1[N+](=O)[O-] ZINC000806344610 1079616927 /nfs/dbraw/zinc/61/69/27/1079616927.db2.gz KUNUJLGMLRLGFK-HOTGVXAUSA-N 0 0 406.435 2.637 20 5 HFBDRN CO[C@]1(C)C[C@H](OC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1(C)C ZINC000747327891 1079663227 /nfs/dbraw/zinc/66/32/27/1079663227.db2.gz FLHUZZJRQHVNDW-SUFBMKPHSA-N 0 0 414.480 2.786 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000806498263 1079748732 /nfs/dbraw/zinc/74/87/32/1079748732.db2.gz ZGDAXNPTSALIAI-HNNXBMFYSA-N 0 0 408.455 2.804 20 5 HFBDRN Cn1cccc1C(=O)C(=O)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000806513622 1079789933 /nfs/dbraw/zinc/78/99/33/1079789933.db2.gz HVZQSUPOSVZWRT-INIZCTEOSA-N 0 0 413.430 2.744 20 5 HFBDRN CNC(=O)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC001130703278 1079867280 /nfs/dbraw/zinc/86/72/80/1079867280.db2.gz GJWYJJFWRTZSOQ-AWEZNQCLSA-N 0 0 409.364 2.948 20 5 HFBDRN C[C@@H](NC(=O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H](C)c1ccccc1 ZINC000806869178 1080070535 /nfs/dbraw/zinc/07/05/35/1080070535.db2.gz MKXRSZFNKAXVMQ-DLBZAZTESA-N 0 0 410.474 2.552 20 5 HFBDRN O=C(NC1CCCCCCC1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000807168535 1080323511 /nfs/dbraw/zinc/32/35/11/1080323511.db2.gz JWIXVHJFQDGWOR-UHFFFAOYSA-N 0 0 424.523 2.724 20 5 HFBDRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001130872569 1080347266 /nfs/dbraw/zinc/34/72/66/1080347266.db2.gz ZTZRKEITHFDPEJ-QZTJIDSGSA-N 0 0 404.444 2.760 20 5 HFBDRN O=C(NCC[S@](=O)CC(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC001130874340 1080355851 /nfs/dbraw/zinc/35/58/51/1080355851.db2.gz VNPDCHJBOIUXSQ-MHZLTWQESA-N 0 0 422.303 2.577 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000807182613 1080376354 /nfs/dbraw/zinc/37/63/54/1080376354.db2.gz FDAOTSOCWMFGHI-CQSZACIVSA-N 0 0 418.454 2.671 20 5 HFBDRN CN(CC(=O)Nc1cnc2c(F)cccc2c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001130904674 1080494903 /nfs/dbraw/zinc/49/49/03/1080494903.db2.gz BOLWXGOZBXZORC-UHFFFAOYSA-N 0 0 418.406 2.541 20 5 HFBDRN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[S@@]1=O ZINC000807333994 1080533285 /nfs/dbraw/zinc/53/32/85/1080533285.db2.gz YXHOICIANQBXIM-JLELFZBKSA-N 0 0 409.508 2.589 20 5 HFBDRN C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)C1=O ZINC001130955009 1080665486 /nfs/dbraw/zinc/66/54/86/1080665486.db2.gz WBFNHWCBZAPULQ-OAQYLSRUSA-N 0 0 419.397 2.549 20 5 HFBDRN COc1cccc(C(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC001130967926 1080676136 /nfs/dbraw/zinc/67/61/36/1080676136.db2.gz KJKQVLHOJAACRI-UHFFFAOYSA-N 0 0 419.438 2.922 20 5 HFBDRN Cc1cc(Br)c(NC(=O)C(=O)Nc2ccnn2CC2CC2)cc1[N+](=O)[O-] ZINC000807475225 1080727075 /nfs/dbraw/zinc/72/70/75/1080727075.db2.gz WMODVIJRRZPVQN-UHFFFAOYSA-N 0 0 422.239 2.849 20 5 HFBDRN CCOc1c(OC)cc(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000747400838 1080779985 /nfs/dbraw/zinc/77/99/85/1080779985.db2.gz ROUMEPRHEXNAPB-UHFFFAOYSA-N 0 0 414.418 2.677 20 5 HFBDRN COc1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426719427 1126082058 /nfs/dbraw/zinc/08/20/58/1126082058.db2.gz GMUAQZHKQCZDSQ-HNNXBMFYSA-N 0 0 402.403 2.550 20 5 HFBDRN Cc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)[O-])ccc1-n1cncn1 ZINC001339012529 1126180727 /nfs/dbraw/zinc/18/07/27/1126180727.db2.gz YPKZKUFXOUXORN-IBGZPJMESA-N 0 0 420.429 2.751 20 5 HFBDRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164405055 718866531 /nfs/dbraw/zinc/86/65/31/718866531.db2.gz CLLUXEQQPRZOLH-UHFFFAOYSA-N 0 0 415.784 2.972 20 5 HFBDRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164432695 718974409 /nfs/dbraw/zinc/97/44/09/718974409.db2.gz IOCGGAORNAWKOW-SWLSCSKDSA-N 0 0 405.785 2.737 20 5 HFBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCc3nnc(Cn4cccc4)n3CC2)cnc1Cl ZINC001164715037 720089002 /nfs/dbraw/zinc/08/90/02/720089002.db2.gz YDYRAFYTDCADPY-UHFFFAOYSA-N 0 0 423.811 2.692 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)[C@H]2CCCO[C@@H]12 ZINC001164805111 721548896 /nfs/dbraw/zinc/54/88/96/721548896.db2.gz KYLROGSPFXYOBM-PWRODBHTSA-N 0 0 420.473 2.801 20 5 HFBDRN COc1cc(C)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164802529 721550124 /nfs/dbraw/zinc/55/01/24/721550124.db2.gz GVVUTRQTYXAEQQ-UWVAXJGDSA-N 0 0 413.478 2.570 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@H]2CCCO[C@H]12 ZINC001164805389 721568533 /nfs/dbraw/zinc/56/85/33/721568533.db2.gz NKXBOJBCXADGKO-HQRMLTQVSA-N 0 0 408.462 2.734 20 5 HFBDRN COc1nc(C)c([N+](=O)[O-])c(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)n1 ZINC001164910787 721754441 /nfs/dbraw/zinc/75/44/41/721754441.db2.gz RPSPHYSLYJFEHY-UHFFFAOYSA-N 0 0 424.461 2.885 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])cc4C)CC[C@H]32)cs1 ZINC001164987514 722175103 /nfs/dbraw/zinc/17/51/03/722175103.db2.gz OBBOSZRMBVEMDS-QZTJIDSGSA-N 0 0 403.508 2.933 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001165006777 722266516 /nfs/dbraw/zinc/26/65/16/722266516.db2.gz NEEKTIPKVQEMMB-NRFANRHFSA-N 0 0 424.436 2.538 20 5 HFBDRN O=C([O-])[C@@]1(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCC[N@H+](Cc2ccccc2)C1 ZINC001123267469 939816829 /nfs/dbraw/zinc/81/68/29/939816829.db2.gz HTFAFLWQGGIIIZ-JOCHJYFZSA-N 0 0 422.441 2.925 20 5 HFBDRN C[C@]1(c2ccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000790529409 1078051717 /nfs/dbraw/zinc/05/17/17/1078051717.db2.gz DAYRWPRIBLAUSJ-GOSISDBHSA-N 0 0 420.784 2.623 20 5 HFBDRN O=C(Nc1cccc(Br)n1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000793035773 1078052686 /nfs/dbraw/zinc/05/26/86/1078052686.db2.gz GDKSCXBDXVAHND-UHFFFAOYSA-N 0 0 419.235 2.882 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCCC23OCCO3)cc1[N+](=O)[O-] ZINC000793045753 1078054908 /nfs/dbraw/zinc/05/49/08/1078054908.db2.gz CIYBFMVECHVMTB-INIZCTEOSA-N 0 0 405.451 2.633 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790569755 1078057901 /nfs/dbraw/zinc/05/79/01/1078057901.db2.gz GCHQQWIXPYOUQN-MRXNPFEDSA-N 0 0 423.803 2.986 20 5 HFBDRN O=C(NC[C@@H]1CCSC1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000790579595 1078060445 /nfs/dbraw/zinc/06/04/45/1078060445.db2.gz LLRIBKVZGRBAIE-ZDUSSCGKSA-N 0 0 422.484 2.845 20 5 HFBDRN COc1ccc(NC(=O)C(=O)N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)cc1[N+](=O)[O-] ZINC000793093410 1078067512 /nfs/dbraw/zinc/06/75/12/1078067512.db2.gz VBNZLKZOTLKPBF-SWLSCSKDSA-N 0 0 402.234 2.584 20 5 HFBDRN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCCCC1CCOCC1 ZINC000790630451 1078068162 /nfs/dbraw/zinc/06/81/62/1078068162.db2.gz RYVAKJAGBUOGOM-UHFFFAOYSA-N 0 0 407.452 2.633 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[C@H](S(C)(=O)=O)C1 ZINC000793162328 1078085319 /nfs/dbraw/zinc/08/53/19/1078085319.db2.gz XTUOPHJRMKNKKA-QWRGUYRKSA-N 0 0 406.254 2.788 20 5 HFBDRN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000746938651 1078088814 /nfs/dbraw/zinc/08/88/14/1078088814.db2.gz IJXLOACJHNZRBD-MPBGBICISA-N 0 0 421.425 2.914 20 5 HFBDRN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCC1 ZINC000746940422 1078092363 /nfs/dbraw/zinc/09/23/63/1078092363.db2.gz KVBVVENDVTWBSE-UHFFFAOYSA-N 0 0 420.425 2.766 20 5 HFBDRN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793173576 1078094283 /nfs/dbraw/zinc/09/42/83/1078094283.db2.gz RPMQXJBYZCLNPW-HRCADAONSA-N 0 0 419.459 2.779 20 5 HFBDRN CON(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000747106295 1078098941 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XWSYOALEQRIIRG-ZZDSUILFSA-N 0 0 418.313 2.582 20 5 HFBDRN C[C@@H](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[S@@](C)=O ZINC000790781499 1078132658 /nfs/dbraw/zinc/13/26/58/1078132658.db2.gz XWSYOALEQRIIRG-CCGUKBGLSA-N 0 0 418.313 2.582 20 5 HFBDRN Cc1c(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cnn1C ZINC000790796716 1078137552 /nfs/dbraw/zinc/13/75/52/1078137552.db2.gz LWLONQONXASLNS-UHFFFAOYSA-N 0 0 408.256 2.667 20 5 HFBDRN O=[N+]([O-])c1cnn(CCS(=O)(=O)Cc2ccc(Br)cc2Cl)c1 ZINC000772831106 1078141523 /nfs/dbraw/zinc/14/15/23/1078141523.db2.gz SOXHUTYEYCYNPE-UHFFFAOYSA-N 0 0 408.661 2.822 20 5 HFBDRN Cc1nccn1-c1ncccc1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000790849531 1078147723 /nfs/dbraw/zinc/14/77/23/1078147723.db2.gz DGPJHPCNPKHBGJ-UHFFFAOYSA-N 0 0 401.448 2.579 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2Cc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000790849454 1078147734 /nfs/dbraw/zinc/14/77/34/1078147734.db2.gz BRTDZMSAJNSNQR-UHFFFAOYSA-N 0 0 405.432 2.813 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CO)[C@H](C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790849274 1078148053 /nfs/dbraw/zinc/14/80/53/1078148053.db2.gz QGPCZIPLFYNHRS-ABAIWWIYSA-N 0 0 423.447 2.563 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C)c3ccccc32)c(C)c1[N+](=O)[O-] ZINC000790851510 1078148930 /nfs/dbraw/zinc/14/89/30/1078148930.db2.gz FDCREUYTFODZDN-UHFFFAOYSA-N 0 0 406.420 2.765 20 5 HFBDRN O=C([C@@H](O)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000793365734 1078149236 /nfs/dbraw/zinc/14/92/36/1078149236.db2.gz NHYVKJWBDVJNTR-SFHVURJKSA-N 0 0 423.391 2.866 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790851667 1078150023 /nfs/dbraw/zinc/15/00/23/1078150023.db2.gz MMLAJEOOBNUOPV-HNNXBMFYSA-N 0 0 409.420 2.522 20 5 HFBDRN COc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(F)c1 ZINC000790856278 1078151858 /nfs/dbraw/zinc/15/18/58/1078151858.db2.gz IQSGPTXFFZVKHH-UHFFFAOYSA-N 0 0 413.383 2.746 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1[N+](=O)[O-] ZINC000790819648 1078155451 /nfs/dbraw/zinc/15/54/51/1078155451.db2.gz JCLPUFBWJNRCHG-UHFFFAOYSA-N 0 0 420.447 2.631 20 5 HFBDRN CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc(S(C)(=O)=O)c1 ZINC000790829071 1078158936 /nfs/dbraw/zinc/15/89/36/1078158936.db2.gz FWXVICSWZSJAOG-UHFFFAOYSA-N 0 0 424.406 2.875 20 5 HFBDRN COc1ccc(C)cc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790829216 1078158973 /nfs/dbraw/zinc/15/89/73/1078158973.db2.gz UODHSRZXGMDURI-UHFFFAOYSA-N 0 0 409.420 2.915 20 5 HFBDRN Cc1noc(C)c1[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790866510 1078163539 /nfs/dbraw/zinc/16/35/39/1078163539.db2.gz FWWBZLQCGAUIAJ-MRVPVSSYSA-N 0 0 412.424 2.807 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c(C)c1[N+](=O)[O-] ZINC000790866795 1078164651 /nfs/dbraw/zinc/16/46/51/1078164651.db2.gz RJPUTSKXPCBVNU-GXTWGEPZSA-N 0 0 415.468 2.537 20 5 HFBDRN CCOCCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790868110 1078165351 /nfs/dbraw/zinc/16/53/51/1078165351.db2.gz QHOIOPUQJGBUHN-UHFFFAOYSA-N 0 0 401.441 2.605 20 5 HFBDRN CNC(=O)COc1ccc(N[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000793397143 1078166349 /nfs/dbraw/zinc/16/63/49/1078166349.db2.gz BVMPNHUWBGPJKO-CQSZACIVSA-N 0 0 400.435 2.857 20 5 HFBDRN COc1cnccc1[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790879423 1078169106 /nfs/dbraw/zinc/16/91/06/1078169106.db2.gz ZQQGOKZWGHWCNL-NSHDSACASA-N 0 0 410.408 2.563 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@](C)(O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790878906 1078169149 /nfs/dbraw/zinc/16/91/49/1078169149.db2.gz DWXSOCGMQAIKMJ-SFHVURJKSA-N 0 0 423.447 2.696 20 5 HFBDRN O=C(N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C(F)(F)C1CCOCC1 ZINC000790886458 1078171098 /nfs/dbraw/zinc/17/10/98/1078171098.db2.gz WIFMSOWBYQSDKS-UHFFFAOYSA-N 0 0 423.420 2.572 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000747120142 1078175187 /nfs/dbraw/zinc/17/51/87/1078175187.db2.gz YFAAWCDDKPCMDJ-GJZGRUSLSA-N 0 0 416.352 2.940 20 5 HFBDRN Cn1ccc(N2CCC[C@H](OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)n1 ZINC000747120045 1078175583 /nfs/dbraw/zinc/17/55/83/1078175583.db2.gz WIPJFILDWAZCNC-ZDUSSCGKSA-N 0 0 412.324 2.700 20 5 HFBDRN COCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc(C(=O)OC)c1 ZINC000793452917 1078176125 /nfs/dbraw/zinc/17/61/25/1078176125.db2.gz OARGYEPIMHFKTM-UHFFFAOYSA-N 0 0 412.395 2.776 20 5 HFBDRN COc1ccc(OS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)cc1[N+](=O)[O-] ZINC000790897824 1078177041 /nfs/dbraw/zinc/17/70/41/1078177041.db2.gz HMPWRISQIOTEEH-UHFFFAOYSA-N 0 0 406.416 2.670 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000747118099 1078177998 /nfs/dbraw/zinc/17/79/98/1078177998.db2.gz ALKJMMQJDCRLCR-UHFFFAOYSA-N 0 0 424.291 2.991 20 5 HFBDRN CS(=O)(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cs1 ZINC000747125058 1078187393 /nfs/dbraw/zinc/18/73/93/1078187393.db2.gz SMWBRLQJURUHMS-UHFFFAOYSA-N 0 0 424.378 2.972 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1Cc2ccccc2O1 ZINC000747125086 1078187748 /nfs/dbraw/zinc/18/77/48/1078187748.db2.gz UKKPRQMNKBJVJQ-HNNXBMFYSA-N 0 0 424.331 2.890 20 5 HFBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1Cn1nc(-c2ccccc2[N+](=O)[O-])oc1=O ZINC000793733970 1078284870 /nfs/dbraw/zinc/28/48/70/1078284870.db2.gz QUENQGHREIEBHB-CQSZACIVSA-N 0 0 413.409 2.719 20 5 HFBDRN CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000793945034 1078354236 /nfs/dbraw/zinc/35/42/36/1078354236.db2.gz BPBFIBMFVNRREH-WBVHZDCISA-N 0 0 419.526 2.924 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000794045570 1078365118 /nfs/dbraw/zinc/36/51/18/1078365118.db2.gz MLNOLCWZGFZXSG-UHFFFAOYSA-N 0 0 420.425 2.636 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000794050121 1078366077 /nfs/dbraw/zinc/36/60/77/1078366077.db2.gz XMLSAEJHHBLEGU-IBGZPJMESA-N 0 0 417.437 2.905 20 5 HFBDRN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000794109322 1078373431 /nfs/dbraw/zinc/37/34/31/1078373431.db2.gz QCIDOZLCMUERES-UHFFFAOYSA-N 0 0 403.322 2.714 20 5 HFBDRN Cc1cccc(CC2(O)CCN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC2)c1 ZINC000794136877 1078377058 /nfs/dbraw/zinc/37/70/58/1078377058.db2.gz QOZQGIJTQRYCPY-OAQYLSRUSA-N 0 0 423.469 2.992 20 5 HFBDRN COCCC1(NC(=O)c2cc([N+](=O)[O-])ccc2I)CCC1 ZINC000794162347 1078379127 /nfs/dbraw/zinc/37/91/27/1078379127.db2.gz RGJZIKQKGYODSS-UHFFFAOYSA-N 0 0 404.204 2.888 20 5 HFBDRN Cn1c2ccc(OC(=O)c3cc(F)cc([N+](=O)[O-])c3Br)cc2n(C)c1=O ZINC000794165714 1078379514 /nfs/dbraw/zinc/37/95/14/1078379514.db2.gz YZGKYWKDRDKDFF-UHFFFAOYSA-N 0 0 424.182 2.906 20 5 HFBDRN C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000794174909 1078380757 /nfs/dbraw/zinc/38/07/57/1078380757.db2.gz XIGDRXXGPUDSCD-JTQLQIEISA-N 0 0 408.208 2.821 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@]2(CCOC2)O1 ZINC000794301597 1078405291 /nfs/dbraw/zinc/40/52/91/1078405291.db2.gz VOSQZEFVMCMUCG-UTKZUKDTSA-N 0 0 403.479 2.995 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000794311548 1078408401 /nfs/dbraw/zinc/40/84/01/1078408401.db2.gz CRSWAIZQTHCFIT-KKSFZXQISA-N 0 0 403.479 2.851 20 5 HFBDRN Cc1c(C(=O)OC2CCN(CC(F)(F)F)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000747185861 1078417850 /nfs/dbraw/zinc/41/78/50/1078417850.db2.gz RGZMDLWFCNLIKM-UHFFFAOYSA-N 0 0 413.356 2.667 20 5 HFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N(CCCO)Cc1ccccn1 ZINC000794355702 1078423629 /nfs/dbraw/zinc/42/36/29/1078423629.db2.gz YWHFTQMIWATCPP-UHFFFAOYSA-N 0 0 412.215 2.916 20 5 HFBDRN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 ZINC000794357711 1078424336 /nfs/dbraw/zinc/42/43/36/1078424336.db2.gz UQTAPDUPDNILQT-HNNXBMFYSA-N 0 0 422.210 2.810 20 5 HFBDRN Cc1ccc(NCCCNC(=O)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000794344930 1078420882 /nfs/dbraw/zinc/42/08/82/1078420882.db2.gz AZLVZPRHGOWUQW-HWWDLCQESA-N 0 0 418.494 2.934 20 5 HFBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc(Br)ccc1=O ZINC001129409795 1078442551 /nfs/dbraw/zinc/44/25/51/1078442551.db2.gz RUTYOLZEYSXNIY-UHFFFAOYSA-N 0 0 412.265 2.671 20 5 HFBDRN CC(C)Oc1cc(C(=O)NCCn2cc(Br)ccc2=O)ccc1[N+](=O)[O-] ZINC001129409944 1078442773 /nfs/dbraw/zinc/44/27/73/1078442773.db2.gz YTNLAFFBVVNBJY-UHFFFAOYSA-N 0 0 424.251 2.736 20 5 HFBDRN Cc1csc([C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001129452451 1078458910 /nfs/dbraw/zinc/45/89/10/1078458910.db2.gz NMEVGEXHUXVGCB-CYBMUJFWSA-N 0 0 416.381 2.899 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000804427435 1078473680 /nfs/dbraw/zinc/47/36/80/1078473680.db2.gz VWJIKZGUXRXTIF-AABGKKOBSA-N 0 0 406.442 2.976 20 5 HFBDRN CN(C[C@H]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1)C(=O)OC(C)(C)C ZINC000804431885 1078476870 /nfs/dbraw/zinc/47/68/70/1078476870.db2.gz YLHFXYSMBKWJBH-GFCCVEGCSA-N 0 0 403.439 2.937 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@@H](C)[S@]1=O ZINC000804435332 1078478114 /nfs/dbraw/zinc/47/81/14/1078478114.db2.gz MGQCQDDFMHTBIY-HGXPUBCKSA-N 0 0 400.522 2.705 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C ZINC001129805437 1078502262 /nfs/dbraw/zinc/50/22/62/1078502262.db2.gz HNTOHTOEHDZGLB-UHFFFAOYSA-N 0 0 407.448 2.805 20 5 HFBDRN Nc1cc(N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)cc(CO)c1[N+](=O)[O-] ZINC000804680009 1078517980 /nfs/dbraw/zinc/51/79/80/1078517980.db2.gz ITRSXACOWQGMHE-MRXNPFEDSA-N 0 0 414.462 2.812 20 5 HFBDRN CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCN(CC(F)(F)F)CC1 ZINC001129831673 1078525011 /nfs/dbraw/zinc/52/50/11/1078525011.db2.gz AYDZTCWZHBQCKN-UHFFFAOYSA-N 0 0 411.384 2.879 20 5 HFBDRN COc1ccc(CSCC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC001129829516 1078523376 /nfs/dbraw/zinc/52/33/76/1078523376.db2.gz APSZLTHQSAOUHD-MRXNPFEDSA-N 0 0 421.519 2.840 20 5 HFBDRN CN(C(=O)c1ccncc1)c1ccc(CNc2cc(N)c([N+](=O)[O-])c(CO)c2)cc1 ZINC000804464641 1078528657 /nfs/dbraw/zinc/52/86/57/1078528657.db2.gz XWLASSWERIJASZ-UHFFFAOYSA-N 0 0 407.430 2.953 20 5 HFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)cc1OC ZINC001129847550 1078530638 /nfs/dbraw/zinc/53/06/38/1078530638.db2.gz WLINQGSEXQAUQT-ZETCQYMHSA-N 0 0 404.301 2.895 20 5 HFBDRN Cc1ccc(N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804693835 1078534724 /nfs/dbraw/zinc/53/47/24/1078534724.db2.gz ZPAPRXLPFUROEY-QWRGUYRKSA-N 0 0 406.302 2.796 20 5 HFBDRN Cc1cc(CNC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)nc(N2CCCC2)n1 ZINC001129538583 1078550331 /nfs/dbraw/zinc/55/03/31/1078550331.db2.gz OFTATGIFCPPVSX-UHFFFAOYSA-N 0 0 406.446 2.959 20 5 HFBDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1ccc(-n2ccnc2)nn1 ZINC001129879526 1078552178 /nfs/dbraw/zinc/55/21/78/1078552178.db2.gz JEMMNMUEXNTNTE-AWEZNQCLSA-N 0 0 410.287 2.743 20 5 HFBDRN Cn1c2cc(NCc3ccncc3OCC(F)(F)F)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804684992 1078545237 /nfs/dbraw/zinc/54/52/37/1078545237.db2.gz DNMOEWWLALXTDI-UHFFFAOYSA-N 0 0 411.340 2.733 20 5 HFBDRN O=[N+]([O-])c1ccc(N2CCC3(CCOCC3)CC2)c(S(=O)(=O)N2CCCC2)c1 ZINC000804714960 1078555152 /nfs/dbraw/zinc/55/51/52/1078555152.db2.gz JDNDDBYHNWDKSB-UHFFFAOYSA-N 0 0 409.508 2.776 20 5 HFBDRN C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNc3ccc(C(N)=O)cc3[N+](=O)[O-])cc2)C1=O ZINC000804703237 1078567613 /nfs/dbraw/zinc/56/76/13/1078567613.db2.gz WCUZQEFRISAQEA-NRFANRHFSA-N 0 0 423.429 2.531 20 5 HFBDRN CCc1cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n2ncnc2n1 ZINC000804703425 1078567629 /nfs/dbraw/zinc/56/76/29/1078567629.db2.gz JTRMFYLVRRAXOW-UHFFFAOYSA-N 0 0 403.240 2.920 20 5 HFBDRN Cc1c(Br)cccc1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129610563 1078581135 /nfs/dbraw/zinc/58/11/35/1078581135.db2.gz PCUMDSASRZXNNX-UHFFFAOYSA-N 0 0 419.279 2.952 20 5 HFBDRN Cc1cc(=O)c(C(=O)NCC(C)(C)c2cccnc2)nn1-c1ccccc1[N+](=O)[O-] ZINC001129915801 1078584859 /nfs/dbraw/zinc/58/48/59/1078584859.db2.gz MLPYLDNTCYOEPS-UHFFFAOYSA-N 0 0 407.430 2.552 20 5 HFBDRN COc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1SC ZINC001129591471 1078586735 /nfs/dbraw/zinc/58/67/35/1078586735.db2.gz DBLXSFRBYIJKTJ-UHFFFAOYSA-N 0 0 403.416 2.689 20 5 HFBDRN COc1cc2c(c(OC)c1)N(C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)CCC2 ZINC001129899322 1078593748 /nfs/dbraw/zinc/59/37/48/1078593748.db2.gz NZFOGKMMMCPQHV-UHFFFAOYSA-N 0 0 420.443 2.609 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)c1 ZINC000747212327 1078601386 /nfs/dbraw/zinc/60/13/86/1078601386.db2.gz MONDDDLUZDIRRD-UHFFFAOYSA-N 0 0 419.409 2.722 20 5 HFBDRN CCc1cccc(N(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001129629999 1078603082 /nfs/dbraw/zinc/60/30/82/1078603082.db2.gz XFLIFEGVACBEQT-IBGZPJMESA-N 0 0 417.487 2.973 20 5 HFBDRN CCc1ccc(N2CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)CC2)cc1Cl ZINC000804778537 1078603441 /nfs/dbraw/zinc/60/34/41/1078603441.db2.gz VFXVYDUOCONBHH-UHFFFAOYSA-N 0 0 424.910 2.785 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(I)c([N+](=O)[O-])c1)c1csnn1 ZINC001129950106 1078625549 /nfs/dbraw/zinc/62/55/49/1078625549.db2.gz LRBPUNDRGDNDPY-ZCFIWIBFSA-N 0 0 405.173 2.969 20 5 HFBDRN C[C@H](O)C[C@H]1CCCCCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804808670 1078637480 /nfs/dbraw/zinc/63/74/80/1078637480.db2.gz VOONMBPFKZMILT-JKSUJKDBSA-N 0 0 411.524 2.899 20 5 HFBDRN C[C@H](O)C[C@@H]1CCCCCN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804808666 1078637555 /nfs/dbraw/zinc/63/75/55/1078637555.db2.gz VOONMBPFKZMILT-HOTGVXAUSA-N 0 0 411.524 2.899 20 5 HFBDRN COC[C@]1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000804795361 1078628955 /nfs/dbraw/zinc/62/89/55/1078628955.db2.gz ZYKINKYUPMVZQL-HXUWFJFHSA-N 0 0 407.467 2.670 20 5 HFBDRN Cc1ccccc1[C@H](O)C1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000804810406 1078630418 /nfs/dbraw/zinc/63/04/18/1078630418.db2.gz GQLIEGTYNIFINT-GOSISDBHSA-N 0 0 405.476 2.501 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C)C[C@H]2C)CC1 ZINC001129954822 1078630441 /nfs/dbraw/zinc/63/04/41/1078630441.db2.gz GAQOQAXCARBANB-GDBMZVCRSA-N 0 0 423.535 2.951 20 5 HFBDRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC001129961894 1078636003 /nfs/dbraw/zinc/63/60/03/1078636003.db2.gz GJYXDDXCEHGTGY-SWLSCSKDSA-N 0 0 419.434 2.795 20 5 HFBDRN COc1cc(F)cc(C[C@@H](C)NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC001129647659 1078636116 /nfs/dbraw/zinc/63/61/16/1078636116.db2.gz OEVHVXPIRPNRIT-LLVKDONJSA-N 0 0 410.423 2.507 20 5 HFBDRN COC(=O)[C@@H](C)c1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC001129654043 1078640121 /nfs/dbraw/zinc/64/01/21/1078640121.db2.gz UTTXGVRWSPXAHC-SWLSCSKDSA-N 0 0 415.402 2.708 20 5 HFBDRN Nc1ccc(NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000804586452 1078642344 /nfs/dbraw/zinc/64/23/44/1078642344.db2.gz DYBMKKZMJCPNCU-UHFFFAOYSA-N 0 0 405.354 2.961 20 5 HFBDRN Cc1nn(CCC(=O)N[C@@H]2[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000804843855 1078650501 /nfs/dbraw/zinc/65/05/01/1078650501.db2.gz DNQXNTJENHBEQZ-HACGYAERSA-N 0 0 423.514 2.948 20 5 HFBDRN CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1OC ZINC001129705799 1078652317 /nfs/dbraw/zinc/65/23/17/1078652317.db2.gz QBCMSOFIIGLILW-CQSZACIVSA-N 0 0 405.451 2.619 20 5 HFBDRN CN(Cc1ccccc1)C1CN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000804811975 1078657045 /nfs/dbraw/zinc/65/70/45/1078657045.db2.gz HNXPSDDRNGPDDY-UHFFFAOYSA-N 0 0 411.430 2.912 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)c1 ZINC000804610914 1078659084 /nfs/dbraw/zinc/65/90/84/1078659084.db2.gz YDGHKTISQXKOHO-UHFFFAOYSA-N 0 0 414.418 2.540 20 5 HFBDRN 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Cn1cnc2c1nccc2C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000805674074 1079214170 /nfs/dbraw/zinc/21/41/70/1079214170.db2.gz YNFDISNQLKTHTD-UHFFFAOYSA-N 0 0 423.307 2.691 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(-n2cccc2)ccn1 ZINC000805711687 1079223033 /nfs/dbraw/zinc/22/30/33/1079223033.db2.gz UVEHVWYOEXXCLL-CYBMUJFWSA-N 0 0 410.386 2.973 20 5 HFBDRN CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001130359515 1079229737 /nfs/dbraw/zinc/22/97/37/1079229737.db2.gz CSEPWBCSRLTJBQ-UHFFFAOYSA-N 0 0 409.402 2.977 20 5 HFBDRN COC(OC)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 ZINC001130352828 1079238101 /nfs/dbraw/zinc/23/81/01/1079238101.db2.gz JUIRILBDBZMDKY-IBGZPJMESA-N 0 0 415.446 2.521 20 5 HFBDRN COc1ccc(NC(=O)CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000805797063 1079279898 /nfs/dbraw/zinc/27/98/98/1079279898.db2.gz JWWGMOTZPQJKBE-JSGCOSHPSA-N 0 0 408.455 2.529 20 5 HFBDRN 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C[C@H](OC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NCCc1ccncc1 ZINC000805980781 1079384754 /nfs/dbraw/zinc/38/47/54/1079384754.db2.gz IWEFPMIJAASZJI-HNNXBMFYSA-N 0 0 415.449 2.981 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OCCc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000806017138 1079392160 /nfs/dbraw/zinc/39/21/60/1079392160.db2.gz AHDCGNDLJSJSOM-UHFFFAOYSA-N 0 0 410.386 2.869 20 5 HFBDRN COc1ccc(CC(=O)OCCc2c(C)nc(-c3ccccn3)[nH]c2=O)cc1[N+](=O)[O-] ZINC000806018820 1079392520 /nfs/dbraw/zinc/39/25/20/1079392520.db2.gz GFOACYGBZZWEON-UHFFFAOYSA-N 0 0 424.413 2.798 20 5 HFBDRN Cc1nn(CCC(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC001130555947 1079503022 /nfs/dbraw/zinc/50/30/22/1079503022.db2.gz XFLHDWUQTMUMJO-UHFFFAOYSA-N 0 0 423.514 2.952 20 5 HFBDRN COc1cc(C)cc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000787455275 1076818031 /nfs/dbraw/zinc/81/80/31/1076818031.db2.gz UICMHSLYRCMLQI-UHFFFAOYSA-N 0 0 412.446 2.508 20 5 HFBDRN CCOC(=O)N1CCC(S(=O)(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000746685832 1076822126 /nfs/dbraw/zinc/82/21/26/1076822126.db2.gz UVCZOZBUHLUXRF-UHFFFAOYSA-N 0 0 411.480 2.510 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000787503128 1076827925 /nfs/dbraw/zinc/82/79/25/1076827925.db2.gz QNONJEHJKJECEQ-HXUWFJFHSA-N 0 0 405.451 2.832 20 5 HFBDRN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787503063 1076827947 /nfs/dbraw/zinc/82/79/47/1076827947.db2.gz PNHHUYTWBAQWIA-AWEZNQCLSA-N 0 0 415.393 2.733 20 5 HFBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787504040 1076828141 /nfs/dbraw/zinc/82/81/41/1076828141.db2.gz XOOCGOKQFWQGSU-UHFFFAOYSA-N 0 0 409.358 2.592 20 5 HFBDRN C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000787508238 1076829606 /nfs/dbraw/zinc/82/96/06/1076829606.db2.gz LBKZNLAYFPBSRY-ZDUSSCGKSA-N 0 0 405.451 2.687 20 5 HFBDRN Cc1ccc([C@@](O)(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C(F)(F)F)o1 ZINC000787507638 1076829779 /nfs/dbraw/zinc/82/97/79/1076829779.db2.gz JRCFBNLMSJRFTI-KRWDZBQOSA-N 0 0 414.336 2.926 20 5 HFBDRN Cn1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000787508903 1076829973 /nfs/dbraw/zinc/82/99/73/1076829973.db2.gz SVLCMLQKEBGAPS-UHFFFAOYSA-N 0 0 423.385 2.807 20 5 HFBDRN CCOC(=O)c1cc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc([N+](=O)[O-])c1 ZINC000787510807 1076830625 /nfs/dbraw/zinc/83/06/25/1076830625.db2.gz ZIPCLLVJLSGENE-UHFFFAOYSA-N 0 0 415.358 2.583 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)C(F)(F)F ZINC000787605445 1076875761 /nfs/dbraw/zinc/87/57/61/1076875761.db2.gz LWVDQDPZWLWMRV-NSHDSACASA-N 0 0 413.274 2.783 20 5 HFBDRN Nc1c(C(=O)O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc(F)cc1[N+](=O)[O-] ZINC000787655713 1076899986 /nfs/dbraw/zinc/89/99/86/1076899986.db2.gz FOMNYIPDYIXPRD-MRXNPFEDSA-N 0 0 423.347 2.942 20 5 HFBDRN COc1cc(OCC(=O)O[C@H](C)c2nnnn2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000787666728 1076904684 /nfs/dbraw/zinc/90/46/84/1076904684.db2.gz CIZOFTKPZDILEC-GFCCVEGCSA-N 0 0 405.411 2.778 20 5 HFBDRN O=C(OCCOCC(F)(F)C(F)(F)F)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000787685612 1076911161 /nfs/dbraw/zinc/91/11/61/1076911161.db2.gz MRWHQXKQYZHWDZ-UHFFFAOYSA-N 0 0 401.240 2.737 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000787694980 1076915471 /nfs/dbraw/zinc/91/54/71/1076915471.db2.gz YNQPRTXYAQAHNM-GFCCVEGCSA-N 0 0 405.838 2.787 20 5 HFBDRN CCNC(=O)Nc1ccc(C)c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])c1 ZINC000787700851 1076917888 /nfs/dbraw/zinc/91/78/88/1076917888.db2.gz HXDGTJXXFUZQRX-UHFFFAOYSA-N 0 0 400.391 2.875 20 5 HFBDRN Cc1c(C(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000787833262 1076957018 /nfs/dbraw/zinc/95/70/18/1076957018.db2.gz MWBWCJLRLQYYKK-INIZCTEOSA-N 0 0 419.800 2.740 20 5 HFBDRN C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000787809875 1076966094 /nfs/dbraw/zinc/96/60/94/1076966094.db2.gz SHPRGYOCSHRZNF-IUCAKERBSA-N 0 0 407.208 2.728 20 5 HFBDRN Cc1ccc(NCCCNC(=O)C(=O)Nc2cc(C)cnc2Cl)c([N+](=O)[O-])c1 ZINC000787884441 1076976905 /nfs/dbraw/zinc/97/69/05/1076976905.db2.gz AFVMWQIVJOFQAQ-UHFFFAOYSA-N 0 0 405.842 2.817 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)Cc1ccc2c(c1)OCCO2 ZINC000746715189 1077002085 /nfs/dbraw/zinc/00/20/85/1077002085.db2.gz GJSBJUDERSXJSL-UHFFFAOYSA-N 0 0 403.347 2.697 20 5 HFBDRN O=C(NCCc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000787975209 1077015385 /nfs/dbraw/zinc/01/53/85/1077015385.db2.gz HEFLNFJTWZLAAA-GFCCVEGCSA-N 0 0 407.348 2.724 20 5 HFBDRN NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000788011916 1077028103 /nfs/dbraw/zinc/02/81/03/1077028103.db2.gz MTKPRCAYZRLXEV-CERSQZSQSA-N 0 0 416.659 2.737 20 5 HFBDRN COC(=O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000787986703 1077033034 /nfs/dbraw/zinc/03/30/34/1077033034.db2.gz IWOSYMSFWFIMEZ-LJQANCHMSA-N 0 0 401.375 2.672 20 5 HFBDRN Cc1onc(OC(F)F)c1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000788109308 1077050472 /nfs/dbraw/zinc/05/04/72/1077050472.db2.gz DUVCWWQDRBIITF-UHFFFAOYSA-N 0 0 412.305 2.819 20 5 HFBDRN CC1CCC(NS(=O)(=O)c2ccc(NOC[C@@H]3CCOC3)c([N+](=O)[O-])c2)CC1 ZINC000788082898 1077054662 /nfs/dbraw/zinc/05/46/62/1077054662.db2.gz KVONMTVQOBMTQA-SHARSMKWSA-N 0 0 413.496 2.832 20 5 HFBDRN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000788123457 1077059890 /nfs/dbraw/zinc/05/98/90/1077059890.db2.gz ICKGZGXRSVBGBJ-UHFFFAOYSA-N 0 0 411.411 2.554 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H](C)N1CCc2ccccc21 ZINC000788141015 1077063685 /nfs/dbraw/zinc/06/36/85/1077063685.db2.gz DGWZVGAGQUVXSN-KBPBESRZSA-N 0 0 413.430 2.925 20 5 HFBDRN COc1ccc(F)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1OC ZINC000788176216 1077067153 /nfs/dbraw/zinc/06/71/53/1077067153.db2.gz CLZWLDAGTHEHAW-UHFFFAOYSA-N 0 0 408.338 2.555 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(F)ccc(OC)c1OC ZINC000788188279 1077068944 /nfs/dbraw/zinc/06/89/44/1077068944.db2.gz VQAURNIZUDHIKO-JTQLQIEISA-N 0 0 422.365 2.944 20 5 HFBDRN O=C(CC1CCC2(CC1)OCCO2)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000788166349 1077072900 /nfs/dbraw/zinc/07/29/00/1077072900.db2.gz DZSFZCPLBUIDKM-KRWDZBQOSA-N 0 0 404.419 2.567 20 5 HFBDRN COc1ccc(C(=O)[C@@H](C)OC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000746737243 1077087876 /nfs/dbraw/zinc/08/78/76/1077087876.db2.gz QDEZZWXBXAONKN-GFCCVEGCSA-N 0 0 413.386 2.776 20 5 HFBDRN C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCCCC1=O ZINC000788318362 1077118687 /nfs/dbraw/zinc/11/86/87/1077118687.db2.gz IGEGGQWFEGXSBD-SNVBAGLBSA-N 0 0 409.386 2.701 20 5 HFBDRN C[C@@H]1C[C@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)O1 ZINC000788441203 1077147691 /nfs/dbraw/zinc/14/76/91/1077147691.db2.gz OMHHMBYRFPSOHV-HWPZZCPQSA-N 0 0 417.805 2.934 20 5 HFBDRN Cn1nccc1[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000788400794 1077150158 /nfs/dbraw/zinc/15/01/58/1077150158.db2.gz VZBAORPQOZGVEE-FQEVSTJZSA-N 0 0 408.414 2.781 20 5 HFBDRN O=C(c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCCO1 ZINC000788489241 1077177612 /nfs/dbraw/zinc/17/76/12/1077177612.db2.gz UHSKJAGJDWGFAE-UHFFFAOYSA-N 0 0 406.416 2.920 20 5 HFBDRN C[NH+](C)[C@H]1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cccc21 ZINC000788490700 1077178792 /nfs/dbraw/zinc/17/87/92/1077178792.db2.gz IKTQUHOAYLEPFB-AWEZNQCLSA-N 0 0 422.419 2.689 20 5 HFBDRN CCOC(=O)[C@@H](COC)N(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000788494959 1077180815 /nfs/dbraw/zinc/18/08/15/1077180815.db2.gz WGPHSLFOVVIORY-CQSZACIVSA-N 0 0 415.240 2.540 20 5 HFBDRN Cc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)cc1[N+](=O)[O-] ZINC000788499622 1077182950 /nfs/dbraw/zinc/18/29/50/1077182950.db2.gz UIIALUUMXRTNHI-UHFFFAOYSA-N 0 0 418.431 2.539 20 5 HFBDRN CCOC(=O)c1cc(C(=O)OCC(=O)N[C@@H](C)c2cccs2)cc([N+](=O)[O-])c1 ZINC000788589003 1077214343 /nfs/dbraw/zinc/21/43/43/1077214343.db2.gz AQUZGMMLLUIVSI-NSHDSACASA-N 0 0 406.416 2.867 20 5 HFBDRN Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000788607333 1077221567 /nfs/dbraw/zinc/22/15/67/1077221567.db2.gz KZICEVZNVSPENX-KRWDZBQOSA-N 0 0 413.821 2.518 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000790925100 1077234407 /nfs/dbraw/zinc/23/44/07/1077234407.db2.gz HZIOJPMHJYCYCZ-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790932535 1077238302 /nfs/dbraw/zinc/23/83/02/1077238302.db2.gz ZWMHEMFCQKGSFZ-GOSISDBHSA-N 0 0 405.813 2.938 20 5 HFBDRN COCCN([C@@H]1CC[C@H](C)C1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000790937326 1077240788 /nfs/dbraw/zinc/24/07/88/1077240788.db2.gz XUSOGKUEWPVFAT-QWHCGFSZSA-N 0 0 415.468 2.599 20 5 HFBDRN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790906832 1077244534 /nfs/dbraw/zinc/24/45/34/1077244534.db2.gz FWLQLZWYUYKBOA-ZDUSSCGKSA-N 0 0 403.863 2.746 20 5 HFBDRN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790906831 1077244549 /nfs/dbraw/zinc/24/45/49/1077244549.db2.gz FWLQLZWYUYKBOA-CYBMUJFWSA-N 0 0 403.863 2.746 20 5 HFBDRN C[C@](O)(CNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1)C1CCCCC1 ZINC000790908744 1077245347 /nfs/dbraw/zinc/24/53/47/1077245347.db2.gz JXQWIGQXIIAVDZ-HNNXBMFYSA-N 0 0 421.313 2.967 20 5 HFBDRN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790912004 1077246616 /nfs/dbraw/zinc/24/66/16/1077246616.db2.gz LDBVVYQLHMVSET-BONVTDFDSA-N 0 0 417.890 2.992 20 5 HFBDRN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790912008 1077246643 /nfs/dbraw/zinc/24/66/43/1077246643.db2.gz LDBVVYQLHMVSET-ZUZCIYMTSA-N 0 0 417.890 2.992 20 5 HFBDRN CCOc1ccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000790918640 1077249366 /nfs/dbraw/zinc/24/93/66/1077249366.db2.gz NEYRXDGKOXPZCE-UHFFFAOYSA-N 0 0 400.387 2.685 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c1F ZINC000790969606 1077258607 /nfs/dbraw/zinc/25/86/07/1077258607.db2.gz WSKIAWZSTKSTID-UHFFFAOYSA-N 0 0 419.360 2.875 20 5 HFBDRN CC(=O)N1CCN(Cc2ccccc2NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)CC1 ZINC000790970317 1077258822 /nfs/dbraw/zinc/25/88/22/1077258822.db2.gz FAKHOTFZUJZVQM-UHFFFAOYSA-N 0 0 414.437 2.959 20 5 HFBDRN CCO[C@H]1C[C@](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])(C(=O)OC)C1(C)C ZINC000791004809 1077265615 /nfs/dbraw/zinc/26/56/15/1077265615.db2.gz QIJYXGSDJJLHIQ-KSSFIOAISA-N 0 0 416.833 2.793 20 5 HFBDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788707978 1077266656 /nfs/dbraw/zinc/26/66/56/1077266656.db2.gz XMFPKZXYTQPXKV-LLVKDONJSA-N 0 0 411.461 2.995 20 5 HFBDRN CCC[C@@H](CNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)OCC ZINC000788709935 1077267358 /nfs/dbraw/zinc/26/73/58/1077267358.db2.gz MAGQHMJPLSFQQI-JTQLQIEISA-N 0 0 423.285 2.615 20 5 HFBDRN Cn1nc(-c2cccs2)nc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000791013268 1077270620 /nfs/dbraw/zinc/27/06/20/1077270620.db2.gz WTWWNYDQWRWGEC-UHFFFAOYSA-N 0 0 414.447 2.541 20 5 HFBDRN Cc1nn(C)c(C(=O)N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)CC2)c1[N+](=O)[O-] ZINC000791031889 1077277477 /nfs/dbraw/zinc/27/74/77/1077277477.db2.gz QCXAJROKRXAHSS-UHFFFAOYSA-N 0 0 421.498 2.890 20 5 HFBDRN COC(=O)Cc1cccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000791048285 1077282859 /nfs/dbraw/zinc/28/28/59/1077282859.db2.gz XQQQWACZSRDDQI-UHFFFAOYSA-N 0 0 412.171 2.859 20 5 HFBDRN Cc1nc(Cl)ccc1NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000788808838 1077294593 /nfs/dbraw/zinc/29/45/93/1077294593.db2.gz XIVJQOUOFTXYIR-UHFFFAOYSA-N 0 0 403.826 2.942 20 5 HFBDRN COCc1cccc(COC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1 ZINC000746976913 1077297508 /nfs/dbraw/zinc/29/75/08/1077297508.db2.gz 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Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC(OCC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000790835640 1078162570 /nfs/dbraw/zinc/16/25/70/1078162570.db2.gz LRMNBCUDVGVAEN-UHFFFAOYSA-N 0 0 415.468 2.946 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000790866627 1078163083 /nfs/dbraw/zinc/16/30/83/1078163083.db2.gz PLOSYDNYJNETPD-ZDUSSCGKSA-N 0 0 401.485 2.793 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCC(=O)OCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000790871115 1078167280 /nfs/dbraw/zinc/16/72/80/1078167280.db2.gz NPUNYGAOEAGXOI-UHFFFAOYSA-N 0 0 412.851 2.887 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCCO[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000790874069 1078167943 /nfs/dbraw/zinc/16/79/43/1078167943.db2.gz KVAYSZHMNKGJCS-HIFRSBDPSA-N 0 0 415.468 2.992 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2ccc(F)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000790883540 1078169680 /nfs/dbraw/zinc/16/96/80/1078169680.db2.gz ORKLATGGMBXEJM-UHFFFAOYSA-N 0 0 415.374 2.919 20 5 HFBDRN Cc1c(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000790894576 1078174465 /nfs/dbraw/zinc/17/44/65/1078174465.db2.gz ZTYDRIISLRJFMK-UHFFFAOYSA-N 0 0 417.365 2.883 20 5 HFBDRN Cn1ccc(N2CCC[C@@H](OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)n1 ZINC000747120044 1078175637 /nfs/dbraw/zinc/17/56/37/1078175637.db2.gz WIPJFILDWAZCNC-CYBMUJFWSA-N 0 0 412.324 2.700 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2cc(Cl)ccn2)c(C)c1[N+](=O)[O-] ZINC000790864865 1078182377 /nfs/dbraw/zinc/18/23/77/1078182377.db2.gz HRTQMBSMLFKJAY-UHFFFAOYSA-N 0 0 400.800 2.647 20 5 HFBDRN Cc1c(C(=O)Oc2ccccc2C(=O)N2CCOCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000790919558 1078183047 /nfs/dbraw/zinc/18/30/47/1078183047.db2.gz QGVNHSFUNLOWBZ-UHFFFAOYSA-N 0 0 415.358 2.503 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1 ZINC000747124495 1078186626 /nfs/dbraw/zinc/18/66/26/1078186626.db2.gz UJVICWJXHISCPM-UHFFFAOYSA-N 0 0 413.356 2.649 20 5 HFBDRN COc1c(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cccc1[N+](=O)[O-] ZINC000793660779 1078243300 /nfs/dbraw/zinc/24/33/00/1078243300.db2.gz GWHJKIIIKDXXOK-AWEZNQCLSA-N 0 0 400.309 2.965 20 5 HFBDRN Cc1ccc(OC[C@@H](C)NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000793782880 1078293201 /nfs/dbraw/zinc/29/32/01/1078293201.db2.gz SVVUZLZXNHPFTL-MRXNPFEDSA-N 0 0 411.458 2.978 20 5 HFBDRN NC(=O)c1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c(OCC(F)F)c1 ZINC000793826815 1078319110 /nfs/dbraw/zinc/31/91/10/1078319110.db2.gz DBMPBICDLQYEIN-UHFFFAOYSA-N 0 0 423.357 2.595 20 5 HFBDRN COCN1C(=O)CCc2cc(NC(=O)c3cc4nsnc4c([N+](=O)[O-])c3)ccc21 ZINC000793908776 1078335336 /nfs/dbraw/zinc/33/53/36/1078335336.db2.gz YLPYZPAGXSHXNQ-UHFFFAOYSA-N 0 0 413.415 2.735 20 5 HFBDRN CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000793887469 1078342955 /nfs/dbraw/zinc/34/29/55/1078342955.db2.gz IMGWXRUYLAERBW-UHFFFAOYSA-N 0 0 412.446 2.610 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)n1 ZINC000794039073 1078364031 /nfs/dbraw/zinc/36/40/31/1078364031.db2.gz WHTIFQZKCCKAKO-INIZCTEOSA-N 0 0 415.450 2.590 20 5 HFBDRN Cc1nnc(N(C)C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])s1 ZINC000794025374 1078362443 /nfs/dbraw/zinc/36/24/43/1078362443.db2.gz GLGJMUKKKSECRE-UHFFFAOYSA-N 0 0 400.258 2.616 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)COc3cccc(C=O)c3)CC2)ccc1[N+](=O)[O-] ZINC000794043465 1078364682 /nfs/dbraw/zinc/36/46/82/1078364682.db2.gz OKHBZVRRUVVJAG-UHFFFAOYSA-N 0 0 413.430 2.534 20 5 HFBDRN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000794106191 1078372855 /nfs/dbraw/zinc/37/28/55/1078372855.db2.gz QSVQRCGUQAXVTE-UHFFFAOYSA-N 0 0 403.322 2.714 20 5 HFBDRN Cc1nn(CCC(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000794180919 1078381682 /nfs/dbraw/zinc/38/16/82/1078381682.db2.gz JJVGXCFDNSBRHC-UHFFFAOYSA-N 0 0 421.498 2.872 20 5 HFBDRN Cc1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1N1C(=O)CNC1=O ZINC000794269720 1078397494 /nfs/dbraw/zinc/39/74/94/1078397494.db2.gz GTMWQNPNYKAXBQ-UHFFFAOYSA-N 0 0 420.784 2.933 20 5 HFBDRN CC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@]2(CCOC2)O1 ZINC000794308545 1078407566 /nfs/dbraw/zinc/40/75/66/1078407566.db2.gz YDULQKZYGLFGPF-MEDUHNTESA-N 0 0 417.231 2.907 20 5 HFBDRN Cc1c(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000794360156 1078425473 /nfs/dbraw/zinc/42/54/73/1078425473.db2.gz QRROBHVMVUGRJM-UHFFFAOYSA-N 0 0 402.363 2.950 20 5 HFBDRN O=Cc1ccc(OCC(=O)NC[C@H]2CCN(c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000794404257 1078436930 /nfs/dbraw/zinc/43/69/30/1078436930.db2.gz JWGCUSKZZFLCIT-OAHLLOKOSA-N 0 0 401.394 2.568 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 ZINC000804379433 1078439522 /nfs/dbraw/zinc/43/95/22/1078439522.db2.gz MQNNSDZFMCBQKB-UHFFFAOYSA-N 0 0 423.516 2.987 20 5 HFBDRN Cc1c(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000804387411 1078446898 /nfs/dbraw/zinc/44/68/98/1078446898.db2.gz YWIRJWFXRKMQRF-CQSZACIVSA-N 0 0 419.438 2.530 20 5 HFBDRN Cc1c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000804391057 1078448877 /nfs/dbraw/zinc/44/88/77/1078448877.db2.gz HXUPBYVOWLYBCZ-CMPLNLGQSA-N 0 0 405.329 2.753 20 5 HFBDRN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000804387081 1078445700 /nfs/dbraw/zinc/44/57/00/1078445700.db2.gz NYJDLPZZLPYAOU-INIZCTEOSA-N 0 0 415.494 2.605 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1ccccc1OCCN1CCOCC1 ZINC000804387918 1078446643 /nfs/dbraw/zinc/44/66/43/1078446643.db2.gz KWZZKTKWOVOMCS-UHFFFAOYSA-N 0 0 402.407 2.826 20 5 HFBDRN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000804396194 1078452822 /nfs/dbraw/zinc/45/28/22/1078452822.db2.gz DKXAFVPCBGCAOE-CYBMUJFWSA-N 0 0 410.446 2.591 20 5 HFBDRN O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000804410606 1078459405 /nfs/dbraw/zinc/45/94/05/1078459405.db2.gz IHXFLWQUICRTKU-FQEVSTJZSA-N 0 0 407.426 2.519 20 5 HFBDRN O=Cc1ccc(OCC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000804425189 1078471938 /nfs/dbraw/zinc/47/19/38/1078471938.db2.gz MZJOCEDUIAOPGX-CEXWTWQISA-N 0 0 410.426 2.817 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@H]1COC(=O)N1CCC(C)CC1 ZINC000804654219 1078483461 /nfs/dbraw/zinc/48/34/61/1078483461.db2.gz LGLREWHTSLCQOJ-KRWDZBQOSA-N 0 0 421.498 2.739 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCC[C@@H]1COC(=O)N1CCC(C)CC1 ZINC000804654220 1078483587 /nfs/dbraw/zinc/48/35/87/1078483587.db2.gz LGLREWHTSLCQOJ-QGZVFWFLSA-N 0 0 421.498 2.739 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804430583 1078476030 /nfs/dbraw/zinc/47/60/30/1078476030.db2.gz AUGJJOJKLJGMSL-CYBMUJFWSA-N 0 0 408.455 2.778 20 5 HFBDRN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000804432131 1078476435 /nfs/dbraw/zinc/47/64/35/1078476435.db2.gz RYNAHJAUYXXHBG-UHFFFAOYSA-N 0 0 422.511 2.588 20 5 HFBDRN Cc1csc(Sc2ccc(C(=O)N[C@@H]3CC[C@H](C(N)=O)C3)cc2[N+](=O)[O-])n1 ZINC001129773927 1078484225 /nfs/dbraw/zinc/48/42/25/1078484225.db2.gz FXVIXNGTKHQFCQ-CMPLNLGQSA-N 0 0 406.489 2.895 20 5 HFBDRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804659589 1078494270 /nfs/dbraw/zinc/49/42/70/1078494270.db2.gz FELZJUQESTXELN-ZDUSSCGKSA-N 0 0 402.407 2.542 20 5 HFBDRN C[C@@H]1C[C@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001129805669 1078502195 /nfs/dbraw/zinc/50/21/95/1078502195.db2.gz PSZRXKKHBUOHLQ-IJLUTSLNSA-N 0 0 400.273 2.723 20 5 HFBDRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000804674677 1078512238 /nfs/dbraw/zinc/51/22/38/1078512238.db2.gz GACVCCJIFRGJSM-MRXNPFEDSA-N 0 0 421.450 2.855 20 5 HFBDRN CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001129527317 1078520244 /nfs/dbraw/zinc/52/02/44/1078520244.db2.gz KGSINJOGIGROGX-UHFFFAOYSA-N 0 0 406.342 2.995 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@@H](O)c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000804696212 1078537578 /nfs/dbraw/zinc/53/75/78/1078537578.db2.gz JTFVMNBJAYPMKF-CYBMUJFWSA-N 0 0 410.224 2.993 20 5 HFBDRN NC(=O)c1cnc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c(Cl)c1 ZINC001129879670 1078552144 /nfs/dbraw/zinc/55/21/44/1078552144.db2.gz OCWTYHVJLIDMKL-GFCCVEGCSA-N 0 0 420.706 2.915 20 5 HFBDRN Cc1ccc([C@H](O)[C@@H](C)NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000804492017 1078549515 /nfs/dbraw/zinc/54/95/15/1078549515.db2.gz FOXLYMYPEVBRMM-JLTOFOAXSA-N 0 0 413.430 2.830 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC001129877658 1078549909 /nfs/dbraw/zinc/54/99/09/1078549909.db2.gz RNCBGUTVBGNQLH-XHSDSOJGSA-N 0 0 423.535 2.807 20 5 HFBDRN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C2 ZINC001129560361 1078556058 /nfs/dbraw/zinc/55/60/58/1078556058.db2.gz ADOMCOFEJMOYMP-UHFFFAOYSA-N 0 0 416.455 2.695 20 5 HFBDRN Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001129562002 1078556823 /nfs/dbraw/zinc/55/68/23/1078556823.db2.gz XEFCBZXQKVMONB-UHFFFAOYSA-N 0 0 423.820 2.904 20 5 HFBDRN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129567518 1078561376 /nfs/dbraw/zinc/56/13/76/1078561376.db2.gz RTQGMBOXNOBXHB-XOBRGWDASA-N 0 0 412.421 2.964 20 5 HFBDRN O=C(N[C@H](C1CC1)C1CCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001129604238 1078575600 /nfs/dbraw/zinc/57/56/00/1078575600.db2.gz ADYKMEZAONMRRW-APWZRJJASA-N 0 0 421.519 2.690 20 5 HFBDRN CCOC(=O)c1coc(N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)n1 ZINC001129578161 1078568738 /nfs/dbraw/zinc/56/87/38/1078568738.db2.gz MZUPBHPNFRHTCS-UHFFFAOYSA-N 0 0 412.196 2.728 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(c1cncc(-n3cccn3)n1)CC2 ZINC000804702833 1078568770 /nfs/dbraw/zinc/56/87/70/1078568770.db2.gz HUDRUYPVWCOBBL-UHFFFAOYSA-N 0 0 401.224 2.896 20 5 HFBDRN Cc1ccc(NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804544390 1078590339 /nfs/dbraw/zinc/59/03/39/1078590339.db2.gz KKLQXLJCHGIIIP-MNOVXSKESA-N 0 0 406.302 2.796 20 5 HFBDRN Cc1ccc(NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804544391 1078590395 /nfs/dbraw/zinc/59/03/95/1078590395.db2.gz KKLQXLJCHGIIIP-QWRGUYRKSA-N 0 0 406.302 2.796 20 5 HFBDRN Nc1nc(SCCCCCCN2C(=O)c3ccccc3C2=O)ncc1[N+](=O)[O-] ZINC000804771998 1078599805 /nfs/dbraw/zinc/59/98/05/1078599805.db2.gz WXYXABJQQCZHQP-UHFFFAOYSA-N 0 0 401.448 2.916 20 5 HFBDRN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000804568327 1078603477 /nfs/dbraw/zinc/60/34/77/1078603477.db2.gz ZMFKLZMCSRAWNO-NWDGAFQWSA-N 0 0 403.439 2.983 20 5 HFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])C1 ZINC000804792569 1078623895 /nfs/dbraw/zinc/62/38/95/1078623895.db2.gz WHKWCLAMOPKTRC-INIZCTEOSA-N 0 0 403.357 2.665 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804590506 1078624527 /nfs/dbraw/zinc/62/45/27/1078624527.db2.gz HESGQQWUIRDHTD-STQMWFEESA-N 0 0 408.455 2.919 20 5 HFBDRN CO[C@H]1C[C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C12CCC2 ZINC001129666607 1078626867 /nfs/dbraw/zinc/62/68/67/1078626867.db2.gz DWAQBOHAXIJBJX-GJZGRUSLSA-N 0 0 403.464 2.562 20 5 HFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](OC)C12CCC2 ZINC001129668642 1078627879 /nfs/dbraw/zinc/62/78/79/1078627879.db2.gz OKRYZJQGSOTJAI-HOTGVXAUSA-N 0 0 408.476 2.937 20 5 HFBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC001129648714 1078638083 /nfs/dbraw/zinc/63/80/83/1078638083.db2.gz XNVCMBXBTUDRML-MSOLQXFVSA-N 0 0 424.461 2.532 20 5 HFBDRN COC[C@]1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804788427 1078644207 /nfs/dbraw/zinc/64/42/07/1078644207.db2.gz MZECQHQZMXTLEM-HXUWFJFHSA-N 0 0 423.466 2.749 20 5 HFBDRN COC(=O)[C@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000804790711 1078645747 /nfs/dbraw/zinc/64/57/47/1078645747.db2.gz FGPBRAUJELJYRG-KRWDZBQOSA-N 0 0 415.368 2.763 20 5 HFBDRN Cc1cc(=O)c(C(=O)Nc2ccc(F)c([C@H](C)O)c2)nn1-c1ccccc1[N+](=O)[O-] ZINC000804790524 1078646032 /nfs/dbraw/zinc/64/60/32/1078646032.db2.gz DIJLQDFPZUONRM-LBPRGKRZSA-N 0 0 412.377 2.894 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000804611951 1078660525 /nfs/dbraw/zinc/66/05/25/1078660525.db2.gz HJKADQBLTWXENF-BFHYXJOUSA-N 0 0 420.466 2.906 20 5 HFBDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C[C@@H]21 ZINC000804612829 1078662055 /nfs/dbraw/zinc/66/20/55/1078662055.db2.gz WRERHTUWSCPBAY-YLQAJVPDSA-N 0 0 406.483 2.799 20 5 HFBDRN CCOC(=O)C1(S(C)(=O)=O)CCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000804825545 1078663484 /nfs/dbraw/zinc/66/34/84/1078663484.db2.gz XBQYPBHWTIFRFD-UHFFFAOYSA-N 0 0 404.872 2.503 20 5 HFBDRN CCOC(=O)C1(S(C)(=O)=O)CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000804825472 1078664612 /nfs/dbraw/zinc/66/46/12/1078664612.db2.gz SWJHIFKHIQYIFN-UHFFFAOYSA-N 0 0 424.397 2.560 20 5 HFBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804833825 1078673902 /nfs/dbraw/zinc/67/39/02/1078673902.db2.gz MPQKFSABYZWMAE-OAHLLOKOSA-N 0 0 406.483 2.735 20 5 HFBDRN CCN(c1ccnc(NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)n1)C1CCCC1 ZINC001129732578 1078680498 /nfs/dbraw/zinc/68/04/98/1078680498.db2.gz LVQBXDKCJVVMHS-UHFFFAOYSA-N 0 0 401.471 2.996 20 5 HFBDRN CCC[C@@H]1CCCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001129733574 1078680716 /nfs/dbraw/zinc/68/07/16/1078680716.db2.gz IVISLFRKLPHGME-HZPDHXFCSA-N 0 0 411.524 2.938 20 5 HFBDRN CO[C@@H](C)CN(C)C(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000804840976 1078681364 /nfs/dbraw/zinc/68/13/64/1078681364.db2.gz SWXPVGOXVNAPHF-AWEZNQCLSA-N 0 0 422.459 2.778 20 5 HFBDRN C/C(=C/C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000804631612 1078685298 /nfs/dbraw/zinc/68/52/98/1078685298.db2.gz NUYSXTXZSNESTH-AAYSUMNASA-N 0 0 417.462 2.894 20 5 HFBDRN C[S@](=O)Cc1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000804863086 1078688708 /nfs/dbraw/zinc/68/87/08/1078688708.db2.gz WISRFXQJRCMPKX-NDEPHWFRSA-N 0 0 405.432 2.631 20 5 HFBDRN C[C@H]1COCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000804616938 1078689907 /nfs/dbraw/zinc/68/99/07/1078689907.db2.gz DIWDJFTWMKODNT-UWVGGRQHSA-N 0 0 404.204 2.602 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000804877156 1078701177 /nfs/dbraw/zinc/70/11/77/1078701177.db2.gz FFQKUHSZWRTZAW-MRXNPFEDSA-N 0 0 407.471 2.540 20 5 HFBDRN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1S(C)(=O)=O ZINC001129760658 1078704547 /nfs/dbraw/zinc/70/45/47/1078704547.db2.gz GBOJNKLCNVYWHC-UHFFFAOYSA-N 0 0 416.358 2.861 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747220855 1078708061 /nfs/dbraw/zinc/70/80/61/1078708061.db2.gz JFNAWLBJRQZJSD-MRXNPFEDSA-N 0 0 424.335 2.693 20 5 HFBDRN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2cnn(C)n2)c([N+](=O)[O-])c1 ZINC000804849809 1078718614 /nfs/dbraw/zinc/71/86/14/1078718614.db2.gz ZYYSPUPEVIPZQR-UHFFFAOYSA-N 0 0 416.463 2.551 20 5 HFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000804634827 1078717566 /nfs/dbraw/zinc/71/75/66/1078717566.db2.gz RWHXMRUNEIPEPE-ZWBWRASZSA-N 0 0 417.462 2.894 20 5 HFBDRN NC(=O)COc1cccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)c1 ZINC001129747649 1078723985 /nfs/dbraw/zinc/72/39/85/1078723985.db2.gz RBBGCGXRDKHUNC-HNNXBMFYSA-N 0 0 415.299 2.631 20 5 HFBDRN CC[C@@H]1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)S1(=O)=O ZINC000804855411 1078726214 /nfs/dbraw/zinc/72/62/14/1078726214.db2.gz RDPPDRZDJMVHNI-WCBMZHEXSA-N 0 0 411.358 2.924 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 ZINC000747204377 1078732876 /nfs/dbraw/zinc/73/28/76/1078732876.db2.gz COOPBCGDQFMXSI-IBGZPJMESA-N 0 0 418.881 2.743 20 5 HFBDRN O=C(Nc1cc(F)c(N2CCOCC2)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000804894678 1078751901 /nfs/dbraw/zinc/75/19/01/1078751901.db2.gz NOPJGLOTLDJRIG-UHFFFAOYSA-N 0 0 408.317 2.870 20 5 HFBDRN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)CC2)cc1 ZINC000804936884 1078761797 /nfs/dbraw/zinc/76/17/97/1078761797.db2.gz ZGALYDYPUUPEBB-UHFFFAOYSA-N 0 0 416.381 2.520 20 5 HFBDRN COC[C@@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000804938604 1078763970 /nfs/dbraw/zinc/76/39/70/1078763970.db2.gz QFGIPDDLSOLUNO-FQEVSTJZSA-N 0 0 422.482 2.810 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001130003674 1078781071 /nfs/dbraw/zinc/78/10/71/1078781071.db2.gz JIXJQYMTHVGIBG-SFHVURJKSA-N 0 0 418.450 2.733 20 5 HFBDRN COc1ccccc1C1(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C(F)(F)C2=O)CC1 ZINC001130032546 1078808785 /nfs/dbraw/zinc/80/87/85/1078808785.db2.gz VVPJEZNSBUVWHN-UHFFFAOYSA-N 0 0 417.368 2.847 20 5 HFBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000805028472 1078840799 /nfs/dbraw/zinc/84/07/99/1078840799.db2.gz GBRUNGJYLZCXKS-BRWVUGGUSA-N 0 0 423.560 2.530 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805106927 1078889319 /nfs/dbraw/zinc/88/93/19/1078889319.db2.gz LSNSBVCCRWPISU-CYBMUJFWSA-N 0 0 419.887 2.880 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805106928 1078889756 /nfs/dbraw/zinc/88/97/56/1078889756.db2.gz LSNSBVCCRWPISU-ZDUSSCGKSA-N 0 0 419.887 2.880 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000805106488 1078890271 /nfs/dbraw/zinc/89/02/71/1078890271.db2.gz FWTNVDZMHSPVOE-OAHLLOKOSA-N 0 0 413.496 2.843 20 5 HFBDRN 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CCC[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OCC ZINC000788708476 1077266636 /nfs/dbraw/zinc/26/66/36/1077266636.db2.gz CPNVLTORZNHZRA-JTQLQIEISA-N 0 0 423.285 2.615 20 5 HFBDRN CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000791129780 1077296367 /nfs/dbraw/zinc/29/63/67/1077296367.db2.gz HSHBBNHZOSUFAM-HXUWFJFHSA-N 0 0 424.457 2.952 20 5 HFBDRN C[C@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791092801 1077297847 /nfs/dbraw/zinc/29/78/47/1077297847.db2.gz QCQHICXFGANXGN-VLIAUNLRSA-N 0 0 415.402 2.685 20 5 HFBDRN O=C(CNC(=O)c1ccccc1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791172046 1077327560 /nfs/dbraw/zinc/32/75/60/1077327560.db2.gz KOBNIGMZONEIJH-UHFFFAOYSA-N 0 0 418.247 2.672 20 5 HFBDRN Cc1cn2ccnc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2n1 ZINC000791173220 1077327982 /nfs/dbraw/zinc/32/79/82/1077327982.db2.gz CIVZFUWKIOAXRY-UHFFFAOYSA-N 0 0 416.235 2.907 20 5 HFBDRN O=C(CC1CCCC1)NCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 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1126082434 /nfs/dbraw/zinc/08/24/34/1126082434.db2.gz DLJJTDZNDGGLJW-MRXNPFEDSA-N 0 0 413.386 2.599 20 5 HFBDRN COC1(c2nc(CC(F)(F)F)no2)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566810749 560884299 /nfs/dbraw/zinc/88/42/99/560884299.db2.gz RQKCEFNHFJZITR-UHFFFAOYSA-N 0 0 414.340 2.861 20 5 HFBDRN O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)N1Cc1cccnc1 ZINC001164691052 719762230 /nfs/dbraw/zinc/76/22/30/719762230.db2.gz KOPSKBCVTBMPND-KGLIPLIRSA-N 0 0 423.807 2.963 20 5 HFBDRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)N1Cc1cccnc1 ZINC001164691054 719762895 /nfs/dbraw/zinc/76/28/95/719762895.db2.gz KOPSKBCVTBMPND-UONOGXRCSA-N 0 0 423.807 2.963 20 5 HFBDRN O=C1[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2CN1Cc1ccncc1 ZINC001164855682 720809031 /nfs/dbraw/zinc/80/90/31/720809031.db2.gz XWUBEHUBSNZTGT-TZMCWYRMSA-N 0 0 423.807 2.678 20 5 HFBDRN CSc1nc(Cl)nc(N2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164785041 721413194 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NXHMANYSHOMORK-HNNXBMFYSA-N 0 0 422.235 2.536 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)NCCc3cnc(C)s3)CC2)ccc1[N+](=O)[O-] ZINC000793009599 1078047458 /nfs/dbraw/zinc/04/74/58/1078047458.db2.gz LOOGVEKEGWFXDM-UHFFFAOYSA-N 0 0 419.507 2.833 20 5 HFBDRN O=C(CC[C@H]1Cc2ccccc2NC1=O)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000746920647 1078047686 /nfs/dbraw/zinc/04/76/86/1078047686.db2.gz GKBKPMIVRAGTAZ-INIZCTEOSA-N 0 0 423.425 2.618 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000790535692 1078053318 /nfs/dbraw/zinc/05/33/18/1078053318.db2.gz NQOQNSHZKGTCOE-UHFFFAOYSA-N 0 0 406.801 2.505 20 5 HFBDRN O=C(CC[C@H]1Cc2ccccc2NC1=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000746920994 1078054926 /nfs/dbraw/zinc/05/49/26/1078054926.db2.gz ZSWTWLPGSCSENE-KXBFYZLASA-N 0 0 423.425 2.835 20 5 HFBDRN COc1cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])ccc1OCCO ZINC000790555648 1078055152 /nfs/dbraw/zinc/05/51/52/1078055152.db2.gz YAPBIFPNCKJPQH-UHFFFAOYSA-N 0 0 412.801 2.626 20 5 HFBDRN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790557304 1078055349 /nfs/dbraw/zinc/05/53/49/1078055349.db2.gz CVHDCDBOGUVGDI-NSHDSACASA-N 0 0 418.812 2.845 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000790556889 1078055356 /nfs/dbraw/zinc/05/53/56/1078055356.db2.gz KWCTUTULBSJLJG-NSHDSACASA-N 0 0 411.739 2.599 20 5 HFBDRN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790557301 1078055365 /nfs/dbraw/zinc/05/53/65/1078055365.db2.gz CVHDCDBOGUVGDI-LLVKDONJSA-N 0 0 418.812 2.845 20 5 HFBDRN Cc1cc2ncc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(C)n2n1 ZINC000746922822 1078056348 /nfs/dbraw/zinc/05/63/48/1078056348.db2.gz BFMPFMBCYWAYPM-UHFFFAOYSA-N 0 0 403.782 2.703 20 5 HFBDRN Cc1c(CNC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000790565132 1078056934 /nfs/dbraw/zinc/05/69/34/1078056934.db2.gz VXTKBQCEGRIGIY-UHFFFAOYSA-N 0 0 417.853 2.815 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000790564565 1078057132 /nfs/dbraw/zinc/05/71/32/1078057132.db2.gz MYJPYRCISGBQAO-INIZCTEOSA-N 0 0 420.828 2.632 20 5 HFBDRN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790569101 1078057659 /nfs/dbraw/zinc/05/76/59/1078057659.db2.gz UHUGWEQVCBPOAI-QWRGUYRKSA-N 0 0 401.822 2.913 20 5 HFBDRN COC(=O)N1CCC([C@H](C)NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790569074 1078057687 /nfs/dbraw/zinc/05/76/87/1078057687.db2.gz SBYQYJXLRXSBCG-JTQLQIEISA-N 0 0 401.822 2.913 20 5 HFBDRN C[C@@H](OC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn21)c1cccc([N+](=O)[O-])c1 ZINC000746923931 1078067636 /nfs/dbraw/zinc/06/76/36/1078067636.db2.gz LUJHDELCUINVQA-LLVKDONJSA-N 0 0 421.369 2.914 20 5 HFBDRN CON(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000746932532 1078069505 /nfs/dbraw/zinc/06/95/05/1078069505.db2.gz FBPHILBFNUWPPV-UHFFFAOYSA-N 0 0 419.459 2.582 20 5 HFBDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793060670 1078069643 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CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)CC2 ZINC000791039942 1077279735 /nfs/dbraw/zinc/27/97/35/1077279735.db2.gz XTBABOYIQHMAKO-UHFFFAOYSA-N 0 0 419.482 2.825 20 5 HFBDRN COC(=O)c1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(N(C)C)c1 ZINC000791046223 1077282338 /nfs/dbraw/zinc/28/23/38/1077282338.db2.gz QTZVKSOGXOXXRH-SFHVURJKSA-N 0 0 412.402 2.579 20 5 HFBDRN Cc1c(Br)c(=O)n(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1[N+](=O)[O-] ZINC000788812506 1077295252 /nfs/dbraw/zinc/29/52/52/1077295252.db2.gz AMOQCVQMCBGVLW-UHFFFAOYSA-N 0 0 408.168 2.660 20 5 HFBDRN CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000788782445 1077300032 /nfs/dbraw/zinc/30/00/32/1077300032.db2.gz MTOVAHKJLARPMU-LJQANCHMSA-N 0 0 406.446 2.544 20 5 HFBDRN C[C@@H]1CN(c2ccccc2F)CCN1Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000788782363 1077300075 /nfs/dbraw/zinc/30/00/75/1077300075.db2.gz JGBSKMLKSTYHQJ-CQSZACIVSA-N 0 0 413.409 2.719 20 5 HFBDRN C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)C1=O ZINC000791143021 1077306468 /nfs/dbraw/zinc/30/64/68/1077306468.db2.gz PZNWKXPMNDDJCM-OAQYLSRUSA-N 0 0 408.414 2.750 20 5 HFBDRN COC(=O)c1cc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc([N+](=O)[O-])c1 ZINC000791165015 1077322987 /nfs/dbraw/zinc/32/29/87/1077322987.db2.gz OSNCUCCAKRIVJE-UHFFFAOYSA-N 0 0 403.366 2.599 20 5 HFBDRN CCO[C@@H]1C[C@](O)(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000788869366 1077324813 /nfs/dbraw/zinc/32/48/13/1077324813.db2.gz KANCIMXIUKCRHC-CJNGLKHVSA-N 0 0 408.423 2.569 20 5 HFBDRN Cn1nnc2cc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)ccc21 ZINC000791173172 1077327753 /nfs/dbraw/zinc/32/77/53/1077327753.db2.gz BDUUXWYNHDXVHK-UHFFFAOYSA-N 0 0 416.235 2.838 20 5 HFBDRN CCC(=O)N1CC[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000791174462 1077328074 /nfs/dbraw/zinc/32/80/74/1077328074.db2.gz ZUTRKURARQBJGM-NSHDSACASA-N 0 0 410.268 2.501 20 5 HFBDRN O=C([C@@H]1CCc2n[nH]cc2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791174264 1077328256 /nfs/dbraw/zinc/32/82/56/1077328256.db2.gz XLZPBDUQBMXSNF-SNVBAGLBSA-N 0 0 405.252 2.770 20 5 HFBDRN O=C(c1ccc2nncn2c1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791234114 1077339358 /nfs/dbraw/zinc/33/93/58/1077339358.db2.gz IKSCGQUAGXVSQN-UHFFFAOYSA-N 0 0 402.208 2.599 20 5 HFBDRN CC(=O)Nc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C2 ZINC000791208357 1077344294 /nfs/dbraw/zinc/34/42/94/1077344294.db2.gz HKJLRRHGABHEKA-UHFFFAOYSA-N 0 0 400.410 2.957 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc1[N+](=O)[O-] ZINC000791215606 1077347331 /nfs/dbraw/zinc/34/73/31/1077347331.db2.gz XTZCCXFTVONQJU-UHFFFAOYSA-N 0 0 407.833 2.811 20 5 HFBDRN C[C@@]12CCN(C(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]1C2(Cl)Cl ZINC000791246834 1077347363 /nfs/dbraw/zinc/34/73/63/1077347363.db2.gz GGADXFNDBNRBGK-GXTWGEPZSA-N 0 0 407.275 2.654 20 5 HFBDRN CCOC1CC(CCNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000788918913 1077355205 /nfs/dbraw/zinc/35/52/05/1077355205.db2.gz VAIYTSWANNSRCD-UHFFFAOYSA-N 0 0 407.286 2.841 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)C2=O)c(C)c1 ZINC000788947449 1077357393 /nfs/dbraw/zinc/35/73/93/1077357393.db2.gz CRLWINWAIHIJKI-KRWDZBQOSA-N 0 0 417.487 2.912 20 5 HFBDRN Cn1ccnc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000791292856 1077358119 /nfs/dbraw/zinc/35/81/19/1077358119.db2.gz CNKOTYWQAJOWFV-ZDUSSCGKSA-N 0 0 421.479 2.824 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3csc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000788950573 1077358969 /nfs/dbraw/zinc/35/89/69/1077358969.db2.gz LRUICDAJGMTWTK-CQSZACIVSA-N 0 0 409.489 2.665 20 5 HFBDRN COC(=O)COc1ccc(CNc2ccc(N3CCOC[C@H]3C)cc2)cc1[N+](=O)[O-] ZINC000788963920 1077364964 /nfs/dbraw/zinc/36/49/64/1077364964.db2.gz AROUDMRBOUTROA-OAHLLOKOSA-N 0 0 415.446 2.984 20 5 HFBDRN COc1ccc(Cl)c(COC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000791290530 1077371924 /nfs/dbraw/zinc/37/19/24/1077371924.db2.gz SAANTCNCBGDKFF-UHFFFAOYSA-N 0 0 404.762 2.596 20 5 HFBDRN C[C@@H](CCOC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccccc1 ZINC000788988418 1077374762 /nfs/dbraw/zinc/37/47/62/1077374762.db2.gz FKCYQQPRTRWAMX-AWEZNQCLSA-N 0 0 412.398 2.729 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000791329732 1077375906 /nfs/dbraw/zinc/37/59/06/1077375906.db2.gz NQDKOKIEQPARBP-UHFFFAOYSA-N 0 0 414.437 2.852 20 5 HFBDRN COc1ccc(OC)c2c1CN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C[C@H]2O ZINC000791313811 1077383007 /nfs/dbraw/zinc/38/30/07/1077383007.db2.gz MNAIFPVCYLLEBV-MRXNPFEDSA-N 0 0 419.409 2.507 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000791366757 1077394682 /nfs/dbraw/zinc/39/46/82/1077394682.db2.gz NCKQWHOGDVLXJL-HNNXBMFYSA-N 0 0 420.828 2.989 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])c(Br)cc1F)c1nnnn1C1CC1 ZINC000791406863 1077401329 /nfs/dbraw/zinc/40/13/29/1077401329.db2.gz KNESTHPMOFPZGP-ZCFIWIBFSA-N 0 0 400.164 2.736 20 5 HFBDRN Cc1sc2nc(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)nc(N)c2c1C ZINC000791409587 1077401937 /nfs/dbraw/zinc/40/19/37/1077401937.db2.gz PGXLJCFBFNFOKE-UHFFFAOYSA-N 0 0 402.388 2.884 20 5 HFBDRN C[C@@H](O)[C@@](C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000791414120 1077403056 /nfs/dbraw/zinc/40/30/56/1077403056.db2.gz BSKHPSQSMOGAGH-CWTRNNRKSA-N 0 0 400.460 2.959 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(-n3cnnn3)cc2)c(Cl)cc1Cl ZINC000791417403 1077404048 /nfs/dbraw/zinc/40/40/48/1077404048.db2.gz BSCLCPHYJDIEFX-UHFFFAOYSA-N 0 0 416.202 2.645 20 5 HFBDRN O=C(NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1 ZINC000791421006 1077405400 /nfs/dbraw/zinc/40/54/00/1077405400.db2.gz YBTQIODNABMHJV-UHFFFAOYSA-N 0 0 418.258 2.610 20 5 HFBDRN Cn1cnnc1[C@H]1CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791423625 1077415451 /nfs/dbraw/zinc/41/54/51/1077415451.db2.gz XIKYWJUOKPIPKW-SNVBAGLBSA-N 0 0 406.251 2.556 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1Br ZINC000789141803 1077431323 /nfs/dbraw/zinc/43/13/23/1077431323.db2.gz BESXBRJFQIOUHZ-UHFFFAOYSA-N 0 0 415.175 2.577 20 5 HFBDRN CCc1[nH]nc(C(=O)OCCOc2ccc(OC)cc2[N+](=O)[O-])c1Br ZINC000789143450 1077432464 /nfs/dbraw/zinc/43/24/64/1077432464.db2.gz JFYYFIGMKNJESG-UHFFFAOYSA-N 0 0 414.212 2.887 20 5 HFBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnn1CC1CCCC1 ZINC000789185027 1077435734 /nfs/dbraw/zinc/43/57/34/1077435734.db2.gz PWCBDSJCMUFBNF-CYBMUJFWSA-N 0 0 401.423 2.869 20 5 HFBDRN O=C(Cn1cc(C(=O)OCc2c(F)cccc2[N+](=O)[O-])cn1)NC1CCCCC1 ZINC000747018757 1077439295 /nfs/dbraw/zinc/43/92/95/1077439295.db2.gz DOYLBZWKOVFTSK-UHFFFAOYSA-N 0 0 404.398 2.736 20 5 HFBDRN CC(C)NS(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000791472112 1077444051 /nfs/dbraw/zinc/44/40/51/1077444051.db2.gz BSNBXGNWADUHOG-UHFFFAOYSA-N 0 0 423.403 2.547 20 5 HFBDRN O=C(CCS(=O)(=O)c1ccc(F)cc1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791473701 1077445394 /nfs/dbraw/zinc/44/53/94/1077445394.db2.gz QAJPABRUNYIULP-UHFFFAOYSA-N 0 0 412.351 2.549 20 5 HFBDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000791536112 1077457422 /nfs/dbraw/zinc/45/74/22/1077457422.db2.gz BXRICXPFCZXFBD-LLVKDONJSA-N 0 0 413.342 2.539 20 5 HFBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000789200998 1077458744 /nfs/dbraw/zinc/45/87/44/1077458744.db2.gz OODGYJFIZRBWDF-GOSISDBHSA-N 0 0 401.371 2.986 20 5 HFBDRN COc1cc(CC(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(OC)c1O ZINC000789250188 1077473246 /nfs/dbraw/zinc/47/32/46/1077473246.db2.gz FVZJFCBVPWXUKC-LBPRGKRZSA-N 0 0 418.402 2.739 20 5 HFBDRN O=C(COC(=O)[C@H]1CCCc2c(O)cccc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000789252869 1077474213 /nfs/dbraw/zinc/47/42/13/1077474213.db2.gz OOTUTKPBSKRSRG-ZDUSSCGKSA-N 0 0 414.370 2.631 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C(F)(F)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000791605867 1077502330 /nfs/dbraw/zinc/50/23/30/1077502330.db2.gz ZNXDGWXHONUQNL-SNVBAGLBSA-N 0 0 402.350 2.536 20 5 HFBDRN COc1cc(COC(=O)c2cn(C(C)(C)C)nn2)c([N+](=O)[O-])cc1OC(F)F ZINC000791643371 1077506628 /nfs/dbraw/zinc/50/66/28/1077506628.db2.gz RTHHRXUHKUXGNC-UHFFFAOYSA-N 0 0 400.338 2.908 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000791650368 1077511713 /nfs/dbraw/zinc/51/17/13/1077511713.db2.gz FCSIZAXTPGAKIY-UHFFFAOYSA-N 0 0 409.441 2.517 20 5 HFBDRN COc1cc(C(=O)OCC(=O)Nc2ccc(Br)cn2)cc([N+](=O)[O-])c1C ZINC000791687313 1077528191 /nfs/dbraw/zinc/52/81/91/1077528191.db2.gz CETXSNHIKYLWPU-UHFFFAOYSA-N 0 0 424.207 2.865 20 5 HFBDRN CCOC(=O)c1ccsc1NC(=O)COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000791688068 1077528853 /nfs/dbraw/zinc/52/88/53/1077528853.db2.gz LEUXAHPZULFYAF-UHFFFAOYSA-N 0 0 422.415 2.946 20 5 HFBDRN COCc1cccc(CNC(=O)COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000791689926 1077529458 /nfs/dbraw/zinc/52/94/58/1077529458.db2.gz RDXQNIWPPBPDHH-UHFFFAOYSA-N 0 0 402.403 2.531 20 5 HFBDRN COc1ccc(-n2nnc(C(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1 ZINC000791712458 1077535358 /nfs/dbraw/zinc/53/53/58/1077535358.db2.gz BKGNNKRSXRGANS-UHFFFAOYSA-N 0 0 413.346 2.758 20 5 HFBDRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC000791730549 1077543261 /nfs/dbraw/zinc/54/32/61/1077543261.db2.gz GEMISYQLAZLZQQ-GOSISDBHSA-N 0 0 415.402 2.860 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)OCC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000791793353 1077559614 /nfs/dbraw/zinc/55/96/14/1077559614.db2.gz GASCVLWWSLGUFL-UHFFFAOYSA-N 0 0 415.494 2.850 20 5 HFBDRN CSc1c(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])cnn1C ZINC000791804273 1077561795 /nfs/dbraw/zinc/56/17/95/1077561795.db2.gz FNVCZNCNFQCNTA-LBPRGKRZSA-N 0 0 404.448 2.512 20 5 HFBDRN CC(C)(CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCO2 ZINC000746807193 1077564456 /nfs/dbraw/zinc/56/44/56/1077564456.db2.gz IWGOMOFBYJPAFO-UHFFFAOYSA-N 0 0 410.430 2.810 20 5 HFBDRN NC(=O)[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000746808003 1077566402 /nfs/dbraw/zinc/56/64/02/1077566402.db2.gz GYJBSWSRZCMNHY-HWYHOQROSA-N 0 0 404.220 2.713 20 5 HFBDRN COC(=O)COc1ccc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789474098 1077566987 /nfs/dbraw/zinc/56/69/87/1077566987.db2.gz BDTRYTZLLPLLQF-HNNXBMFYSA-N 0 0 423.466 2.588 20 5 HFBDRN CCC(=O)Nc1cccc(COC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)c1 ZINC000791781809 1077568243 /nfs/dbraw/zinc/56/82/43/1077568243.db2.gz YOGGXUKSRCLEDN-UHFFFAOYSA-N 0 0 406.416 2.704 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)c(C)c1[N+](=O)[O-] ZINC000789444158 1077575172 /nfs/dbraw/zinc/57/51/72/1077575172.db2.gz IYALAAWDZNIYED-GFCCVEGCSA-N 0 0 405.357 2.981 20 5 HFBDRN O=C(OCCO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1I ZINC000791827445 1077575648 /nfs/dbraw/zinc/57/56/48/1077575648.db2.gz SOOJIAJQECTURC-ZDUSSCGKSA-N 0 0 421.187 2.899 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCCO[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000791827073 1077575935 /nfs/dbraw/zinc/57/59/35/1077575935.db2.gz WAIFACURJUHIAI-MSOLQXFVSA-N 0 0 406.435 2.594 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000791889311 1077587068 /nfs/dbraw/zinc/58/70/68/1077587068.db2.gz OTDMVCSGFFVSEP-CQSZACIVSA-N 0 0 404.442 2.957 20 5 HFBDRN C[C@@H](NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)c1nnnn1C1CC1 ZINC000791925423 1077596261 /nfs/dbraw/zinc/59/62/61/1077596261.db2.gz LNTUZTWMJGCXOR-SECBINFHSA-N 0 0 410.384 2.772 20 5 HFBDRN Cc1nn(CCC(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000791962356 1077635770 /nfs/dbraw/zinc/63/57/70/1077635770.db2.gz HHANYZOUXRMVJO-SFHVURJKSA-N 0 0 414.462 2.923 20 5 HFBDRN COc1ccc(C[C@@]2(C)NC(=O)N(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000789589827 1077672382 /nfs/dbraw/zinc/67/23/82/1077672382.db2.gz GVKNLRQUKAKJIJ-LJQANCHMSA-N 0 0 414.374 2.565 20 5 HFBDRN O=C(Oc1ccc2c(c1)C(=O)NC2)c1cc(I)cc([N+](=O)[O-])c1 ZINC000789556690 1077674745 /nfs/dbraw/zinc/67/47/45/1077674745.db2.gz SDBUYIJQSCAXQB-UHFFFAOYSA-N 0 0 424.150 2.662 20 5 HFBDRN Cc1ccc(Sc2ccc(CNC[C@H]3CC(C(N)=O)=NO3)cc2[N+](=O)[O-])cc1 ZINC000789559926 1077678686 /nfs/dbraw/zinc/67/86/86/1077678686.db2.gz DJJAAAJNQPFRCW-CQSZACIVSA-N 0 0 400.460 2.774 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000792110271 1077700939 /nfs/dbraw/zinc/70/09/39/1077700939.db2.gz AWMRDBXMDIWMKW-UHFFFAOYSA-N 0 0 401.343 2.957 20 5 HFBDRN COc1ccc(OC(=O)c2sc3nc4n(c(=O)c3c2C)CCC4)cc1[N+](=O)[O-] ZINC000792116940 1077703202 /nfs/dbraw/zinc/70/32/02/1077703202.db2.gz UQMVWNRVBRMWKX-UHFFFAOYSA-N 0 0 401.400 2.849 20 5 HFBDRN O=C(OC[C@@H]1CNC(=O)O1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746833911 1077703204 /nfs/dbraw/zinc/70/32/04/1077703204.db2.gz KSDAILOOPVHGBU-NSHDSACASA-N 0 0 404.762 2.744 20 5 HFBDRN COc1ccc(OC(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)cc1[N+](=O)[O-] ZINC000792119582 1077704120 /nfs/dbraw/zinc/70/41/20/1077704120.db2.gz PVZFUSOHXBWDBP-UHFFFAOYSA-N 0 0 409.280 2.817 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000792087782 1077710263 /nfs/dbraw/zinc/71/02/63/1077710263.db2.gz FRALATUCXKVSJH-UHFFFAOYSA-N 0 0 401.400 2.541 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000792132956 1077717943 /nfs/dbraw/zinc/71/79/43/1077717943.db2.gz HZYHJVPMPXXBQL-UHFFFAOYSA-N 0 0 412.314 2.979 20 5 HFBDRN C[C@@H](C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000792136435 1077718951 /nfs/dbraw/zinc/71/89/51/1077718951.db2.gz VQCCPLYGFJJITO-LLVKDONJSA-N 0 0 409.391 2.667 20 5 HFBDRN Cc1c(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000789657283 1077721903 /nfs/dbraw/zinc/72/19/03/1077721903.db2.gz KXWHKSYZPYGDPT-IAQYHMDHSA-N 0 0 414.340 2.998 20 5 HFBDRN Cc1c(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000789657286 1077721997 /nfs/dbraw/zinc/72/19/97/1077721997.db2.gz KXWHKSYZPYGDPT-XHDPSFHLSA-N 0 0 414.340 2.998 20 5 HFBDRN Cc1c(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000789657281 1077722004 /nfs/dbraw/zinc/72/20/04/1077722004.db2.gz KXWHKSYZPYGDPT-ABAIWWIYSA-N 0 0 414.340 2.998 20 5 HFBDRN O=C(Oc1ccc([C@@H]2CCOC2)cc1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000792155320 1077725304 /nfs/dbraw/zinc/72/53/04/1077725304.db2.gz PLKWFEOQYPCDDD-ZBFHGGJFSA-N 0 0 400.387 2.902 20 5 HFBDRN O=[N+]([O-])c1ccc(CNc2cc(N3CCCS3(=O)=O)ccc2F)c([N+](=O)[O-])c1 ZINC000789668015 1077734230 /nfs/dbraw/zinc/73/42/30/1077734230.db2.gz LMKXRQWEUCPBME-UHFFFAOYSA-N 0 0 410.383 2.794 20 5 HFBDRN COc1ccc(S(=O)(=O)Nc2c(C)ccnc2Br)cc1[N+](=O)[O-] ZINC000789736259 1077743190 /nfs/dbraw/zinc/74/31/90/1077743190.db2.gz WXSWZQAMPBDWNV-UHFFFAOYSA-N 0 0 402.226 2.870 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000792218558 1077771710 /nfs/dbraw/zinc/77/17/10/1077771710.db2.gz CCPXMQBYJBPDQJ-ZDUSSCGKSA-N 0 0 420.422 2.910 20 5 HFBDRN COc1ccc(OCCn2ccn3cc(Br)cc3c2=O)c([N+](=O)[O-])c1 ZINC000789740954 1077774711 /nfs/dbraw/zinc/77/47/11/1077774711.db2.gz HLVOMGMEIVGSDT-UHFFFAOYSA-N 0 0 408.208 2.859 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000792312910 1077802094 /nfs/dbraw/zinc/80/20/94/1077802094.db2.gz QAYRXDTYNFZJTP-CQSZACIVSA-N 0 0 424.502 2.783 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000747067833 1077803337 /nfs/dbraw/zinc/80/33/37/1077803337.db2.gz DGIHCIIUZINWKA-STQMWFEESA-N 0 0 409.439 2.968 20 5 HFBDRN CO[C@@]1(C)CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000792371545 1077819844 /nfs/dbraw/zinc/81/98/44/1077819844.db2.gz NZFYANGAQAPQHZ-INIZCTEOSA-N 0 0 414.256 2.632 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000747071563 1077831226 /nfs/dbraw/zinc/83/12/26/1077831226.db2.gz QHHMRQALVDLKGG-STQMWFEESA-N 0 0 409.439 2.968 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000747069236 1077836303 /nfs/dbraw/zinc/83/63/03/1077836303.db2.gz JFYQGSYLRCMFLC-CYBMUJFWSA-N 0 0 421.450 2.530 20 5 HFBDRN CCC[C@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000792404207 1077838040 /nfs/dbraw/zinc/83/80/40/1077838040.db2.gz DXIHVHJMNRKBDF-MAUKXSAKSA-N 0 0 401.419 2.560 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000789914605 1077845689 /nfs/dbraw/zinc/84/56/89/1077845689.db2.gz BXLNHCHYJHLCOC-UHFFFAOYSA-N 0 0 405.338 2.622 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1nnnn1CC(F)(F)F ZINC000792474259 1077872848 /nfs/dbraw/zinc/87/28/48/1077872848.db2.gz KHZAJAQFYBYEQY-UHFFFAOYSA-N 0 0 424.133 2.572 20 5 HFBDRN Cc1ccc([C@H](O)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)o1 ZINC000790027452 1077918738 /nfs/dbraw/zinc/91/87/38/1077918738.db2.gz VATCCSZNPOULGJ-GFCCVEGCSA-N 0 0 419.253 2.579 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1[N+](=O)[O-] ZINC000790073444 1077922724 /nfs/dbraw/zinc/92/27/24/1077922724.db2.gz KXJKVLHUFFSMED-UHFFFAOYSA-N 0 0 401.379 2.624 20 5 HFBDRN CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000792591157 1077924957 /nfs/dbraw/zinc/92/49/57/1077924957.db2.gz ZULRMYXFHOGWID-LBPRGKRZSA-N 0 0 408.432 2.899 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] ZINC000792590952 1077925255 /nfs/dbraw/zinc/92/52/55/1077925255.db2.gz VJVLMBCPTWXOSA-UHFFFAOYSA-N 0 0 401.343 2.960 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCOC(C)(C)C1 ZINC000790051775 1077930830 /nfs/dbraw/zinc/93/08/30/1077930830.db2.gz SJQLLNTXICQSGO-JTQLQIEISA-N 0 0 407.286 2.902 20 5 HFBDRN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000746877892 1077944497 /nfs/dbraw/zinc/94/44/97/1077944497.db2.gz QFEHUJSEGJNFFF-OIJAAMDRSA-N 0 0 404.444 2.743 20 5 HFBDRN COC(=O)c1cnc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000790100920 1077949295 /nfs/dbraw/zinc/94/92/95/1077949295.db2.gz JDAJSWKSOHIYMS-CYBMUJFWSA-N 0 0 408.455 2.860 20 5 HFBDRN COC(=O)[C@@](C)(NC(=O)CSc1nccn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001170356961 1077949380 /nfs/dbraw/zinc/94/93/80/1077949380.db2.gz IUOHWJVCDLGMEH-IBGZPJMESA-N 0 0 420.491 2.843 20 5 HFBDRN COC(=O)[C@@](C)(NC(=O)c1cnn2cccc(Cl)c12)c1cccc([N+](=O)[O-])c1 ZINC001170357531 1077949388 /nfs/dbraw/zinc/94/93/88/1077949388.db2.gz QRBNRJAHELRACK-SFHVURJKSA-N 0 0 402.794 2.714 20 5 HFBDRN CN(C)c1ccc(NC(=O)CCn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 ZINC000790130570 1077952047 /nfs/dbraw/zinc/95/20/47/1077952047.db2.gz ZSRIZILFUKSJIY-UHFFFAOYSA-N 0 0 407.430 2.913 20 5 HFBDRN CCOC[C@H]1CN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338413 1077952099 /nfs/dbraw/zinc/95/20/99/1077952099.db2.gz AKUIZEROMFERDH-GDBMZVCRSA-N 0 0 403.483 2.782 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCc3onc(C(=O)NC(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001170339374 1077952281 /nfs/dbraw/zinc/95/22/81/1077952281.db2.gz AGNDKFGDIOGUOV-ZDUSSCGKSA-N 0 0 402.451 2.719 20 5 HFBDRN COc1cc(COC(=O)[C@]2(C)CCN(C(C)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000747083199 1077954508 /nfs/dbraw/zinc/95/45/08/1077954508.db2.gz DVVMNHQWHSPYIO-QGZVFWFLSA-N 0 0 402.350 2.507 20 5 HFBDRN O=[N+]([O-])c1cnn(CC[S@](=O)Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000772816396 1077963210 /nfs/dbraw/zinc/96/32/10/1077963210.db2.gz GIJDNFRPGKSDLK-NDEPHWFRSA-N 0 0 415.353 2.809 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1F ZINC000790168127 1077964295 /nfs/dbraw/zinc/96/42/95/1077964295.db2.gz BCRRGKNYJYBQOD-UHFFFAOYSA-N 0 0 410.379 2.551 20 5 HFBDRN CC(C)(C)OC(=O)N1CCc2ncn(Cc3cccc([N+](=O)[O-])c3)c(=O)c2CC1 ZINC000792665597 1077967500 /nfs/dbraw/zinc/96/75/00/1077967500.db2.gz JKBDUHVSJPBMAD-UHFFFAOYSA-N 0 0 400.435 2.536 20 5 HFBDRN CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C1CCN(c2cnccn2)CC1 ZINC000790215863 1077972098 /nfs/dbraw/zinc/97/20/98/1077972098.db2.gz UOWXVMPOEBFXKI-UHFFFAOYSA-N 0 0 410.478 2.726 20 5 HFBDRN COc1ccc(CNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1[N+](=O)[O-] ZINC000790239181 1077974285 /nfs/dbraw/zinc/97/42/85/1077974285.db2.gz ZVVGFNFOVKFHBK-UHFFFAOYSA-N 0 0 404.398 2.891 20 5 HFBDRN O=[N+]([O-])c1cnn(CC[S@](=O)Cc2csc(COc3ccc(F)cc3)n2)c1 ZINC000772818779 1077976255 /nfs/dbraw/zinc/97/62/55/1077976255.db2.gz POXPEGBZPZNHKM-MHZLTWQESA-N 0 0 410.452 2.915 20 5 HFBDRN COC(=O)c1cc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000792737188 1077980499 /nfs/dbraw/zinc/98/04/99/1077980499.db2.gz WOPPZYXJNSGGIM-UHFFFAOYSA-N 0 0 418.362 2.657 20 5 HFBDRN C[C@@H]1OCC[C@]12CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000790289535 1077986827 /nfs/dbraw/zinc/98/68/27/1077986827.db2.gz KDSZZQWNFRDJLC-ZETOZRRWSA-N 0 0 424.397 2.661 20 5 HFBDRN CNC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000790293699 1077987953 /nfs/dbraw/zinc/98/79/53/1077987953.db2.gz XAMRHLQZLAYOIM-UHFFFAOYSA-N 0 0 403.391 2.541 20 5 HFBDRN C[C@H](OC(=O)[C@]1(O)CCc2ccccc2C1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000792785721 1077991376 /nfs/dbraw/zinc/99/13/76/1077991376.db2.gz PNTXVTDYVPVRMC-YUNKPMOVSA-N 0 0 402.378 2.524 20 5 HFBDRN O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc(Cc2ccccc2)[nH]n1 ZINC000792791663 1077993076 /nfs/dbraw/zinc/99/30/76/1077993076.db2.gz FKXJZAJBUJIJJF-IBGZPJMESA-N 0 0 406.398 2.871 20 5 HFBDRN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(C)cc([N+](=O)[O-])c3N)CC2)cc1 ZINC000746893391 1077996364 /nfs/dbraw/zinc/99/63/64/1077996364.db2.gz DJFGOKBJYLUEKP-UHFFFAOYSA-N 0 0 410.474 2.962 20 5 HFBDRN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000790344664 1078000282 /nfs/dbraw/zinc/00/02/82/1078000282.db2.gz SUVCOXARQOVCKK-ZIAGYGMSSA-N 0 0 414.418 2.708 20 5 HFBDRN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000790378573 1078008494 /nfs/dbraw/zinc/00/84/94/1078008494.db2.gz WKVAXSQVASRGQB-ZIAGYGMSSA-N 0 0 414.418 2.708 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cnc(OC)c(Cl)c1 ZINC000792860236 1078010223 /nfs/dbraw/zinc/01/02/23/1078010223.db2.gz GXOAIPVZOVXDGH-SECBINFHSA-N 0 0 409.782 2.844 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cnn(-c3cc[nH+]cc3)c2)c(C)c1[N+](=O)[O-] ZINC000790389984 1078012614 /nfs/dbraw/zinc/01/26/14/1078012614.db2.gz NZKQNDPYPWSKRY-UHFFFAOYSA-N 0 0 418.391 2.501 20 5 HFBDRN C[C@@H]1CCCN(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790374014 1078017698 /nfs/dbraw/zinc/01/76/98/1078017698.db2.gz ZDENNRQQHRAICE-LLVKDONJSA-N 0 0 418.313 2.692 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000790405260 1078019493 /nfs/dbraw/zinc/01/94/93/1078019493.db2.gz VDGBERJUIJSJIC-DGCLKSJQSA-N 0 0 405.270 2.689 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000790411616 1078020749 /nfs/dbraw/zinc/02/07/49/1078020749.db2.gz ZKJQKMBJEXXCMS-CHWSQXEVSA-N 0 0 405.270 2.689 20 5 HFBDRN CCn1cc(S(=O)(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)c([N+](=O)[O-])n1 ZINC000790425225 1078023540 /nfs/dbraw/zinc/02/35/40/1078023540.db2.gz ZKKABEKNNKUZGC-UHFFFAOYSA-N 0 0 417.447 2.779 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOc3ccc(F)cc32)c(C)c1[N+](=O)[O-] ZINC000790398668 1078025540 /nfs/dbraw/zinc/02/55/40/1078025540.db2.gz LDJQMJHNARZILA-UHFFFAOYSA-N 0 0 411.367 2.847 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1[N+](=O)[O-] ZINC000747093030 1078026599 /nfs/dbraw/zinc/02/65/99/1078026599.db2.gz FOOPGJPMVSVDID-UHFFFAOYSA-N 0 0 419.415 2.711 20 5 HFBDRN O=[N+]([O-])c1cnn(CC[S@](=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000772824453 1078027732 /nfs/dbraw/zinc/02/77/32/1078027732.db2.gz MNWJLYCYDOBNHX-MHZLTWQESA-N 0 0 406.445 2.592 20 5 HFBDRN C[S@](=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000747091098 1078029081 /nfs/dbraw/zinc/02/90/81/1078029081.db2.gz HNMLLPGRMMWJDD-NDEPHWFRSA-N 0 0 406.439 2.825 20 5 HFBDRN CCCNC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000792974599 1078030337 /nfs/dbraw/zinc/03/03/37/1078030337.db2.gz UBLPVZMMLCQBSG-AWEZNQCLSA-N 0 0 418.494 2.596 20 5 HFBDRN CC(C)(C)OC(=O)NC/C=C/CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000790436584 1078030498 /nfs/dbraw/zinc/03/04/98/1078030498.db2.gz MQZLNTPOJMHEBO-SNAWJCMRSA-N 0 0 405.860 2.607 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000792974923 1078030668 /nfs/dbraw/zinc/03/06/68/1078030668.db2.gz XCINSUKRCPQXDP-GOSISDBHSA-N 0 0 424.457 2.531 20 5 HFBDRN COc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000792955735 1078034647 /nfs/dbraw/zinc/03/46/47/1078034647.db2.gz XQDHFYHUUAZFJF-QGZVFWFLSA-N 0 0 415.446 2.689 20 5 HFBDRN COc1ccc([C@@H](CN(C)C)NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000790482672 1078041633 /nfs/dbraw/zinc/04/16/33/1078041633.db2.gz OIACKASKADFAFP-OAHLLOKOSA-N 0 0 413.883 2.838 20 5 HFBDRN COc1cc(CN2CCN(C(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1 ZINC000747321679 1079558779 /nfs/dbraw/zinc/55/87/79/1079558779.db2.gz ZOYZNXPKCRYISH-YVMONPNESA-N 0 0 411.458 2.970 20 5 HFBDRN COC(=O)[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC001130593764 1079600682 /nfs/dbraw/zinc/60/06/82/1079600682.db2.gz ZZBFHXZHOGEGFZ-QGZVFWFLSA-N 0 0 406.341 2.773 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])c2ccc(F)cc2O1 ZINC001130593763 1079600710 /nfs/dbraw/zinc/60/07/10/1079600710.db2.gz ZZBFHXZHOGEGFZ-KRWDZBQOSA-N 0 0 406.341 2.773 20 5 HFBDRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000806379725 1079628273 /nfs/dbraw/zinc/62/82/73/1079628273.db2.gz BZFOJHUTILYDIV-HNNXBMFYSA-N 0 0 405.455 2.667 20 5 HFBDRN 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COc1cccc(N2C[C@H](NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2=O)c1 ZINC000790545548 1078060468 /nfs/dbraw/zinc/06/04/68/1078060468.db2.gz IPARIEWTCNQQJG-GFCCVEGCSA-N 0 0 421.812 2.860 20 5 HFBDRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)C1 ZINC000790593484 1078063639 /nfs/dbraw/zinc/06/36/39/1078063639.db2.gz GLJKBBNKGWLMMX-LBPRGKRZSA-N 0 0 405.480 2.832 20 5 HFBDRN Cc1nnnn1/C(=C\c1cccc(F)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746930568 1078066851 /nfs/dbraw/zinc/06/68/51/1078066851.db2.gz LLHLQRRJWNPVBJ-IUXPMGMMSA-N 0 0 401.329 2.909 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cn1 ZINC000793091274 1078066939 /nfs/dbraw/zinc/06/69/39/1078066939.db2.gz NDZRRQUZNSWQGF-UHFFFAOYSA-N 0 0 419.235 2.584 20 5 HFBDRN CCOc1ccc(-c2nc(CS(=O)(=O)CCn3cc([N+](=O)[O-])cn3)cs2)cc1 ZINC000772827230 1078070818 /nfs/dbraw/zinc/07/08/18/1078070818.db2.gz HJDYELZVMRXMST-UHFFFAOYSA-N 0 0 422.488 2.929 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000746933247 1078071213 /nfs/dbraw/zinc/07/12/13/1078071213.db2.gz LOQVYTSNDWFTIZ-GXFFZTMASA-N 0 0 404.423 2.628 20 5 HFBDRN O=C(CCc1c[nH]cn1)N1CCCC[C@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793114984 1078083292 /nfs/dbraw/zinc/08/32/92/1078083292.db2.gz BSJQQQILXZUEED-KRWDZBQOSA-N 0 0 400.435 2.879 20 5 HFBDRN COc1cc(C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)cc([N+](=O)[O-])c1C ZINC000790651891 1078094153 /nfs/dbraw/zinc/09/41/53/1078094153.db2.gz SBHVGHDXERDXJP-UHFFFAOYSA-N 0 0 404.854 2.918 20 5 HFBDRN COc1cc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc([N+](=O)[O-])c1C ZINC000790654750 1078094702 /nfs/dbraw/zinc/09/47/02/1078094702.db2.gz BIRLJTHOKXMKTF-ZDUSSCGKSA-N 0 0 401.379 2.542 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1F ZINC000793175317 1078094730 /nfs/dbraw/zinc/09/47/30/1078094730.db2.gz XUZRFYVFWGCQPE-KBPBESRZSA-N 0 0 411.411 2.675 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H](O)COc1ccc(F)c(F)c1 ZINC000790658440 1078095088 /nfs/dbraw/zinc/09/50/88/1078095088.db2.gz UETBFKICTAZMMJ-SNVBAGLBSA-N 0 0 418.755 2.764 20 5 HFBDRN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ncc2Br)cc(N2CCCC2)n1 ZINC000793228341 1078101868 /nfs/dbraw/zinc/10/18/68/1078101868.db2.gz GFKJICYJYWNKHV-UHFFFAOYSA-N 0 0 420.267 2.986 20 5 HFBDRN C[C@@H]1Cc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)ccc2N1S(C)(=O)=O ZINC000746942138 1078108876 /nfs/dbraw/zinc/10/88/76/1078108876.db2.gz PIORDZWFOPNSIB-LLVKDONJSA-N 0 0 408.407 2.802 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3)C2)ccc1F ZINC000793277149 1078117369 /nfs/dbraw/zinc/11/73/69/1078117369.db2.gz HSSYLDKSUUYRPM-OAHLLOKOSA-N 0 0 408.407 2.573 20 5 HFBDRN CCOc1cc(N2CCN(Cc3cc(Br)nn3C)CC2)ccc1[N+](=O)[O-] ZINC000793301071 1078122259 /nfs/dbraw/zinc/12/22/59/1078122259.db2.gz HOGBCBYBBLHFLK-UHFFFAOYSA-N 0 0 424.299 2.812 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000790744364 1078122615 /nfs/dbraw/zinc/12/26/15/1078122615.db2.gz DQMQJPSCUBZULO-UHFFFAOYSA-N 0 0 424.768 2.883 20 5 HFBDRN COc1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc([N+](=O)[O-])c1C ZINC000790778516 1078131189 /nfs/dbraw/zinc/13/11/89/1078131189.db2.gz AMQMINAXQGYVGD-HKUYNNGSSA-N 0 0 400.431 2.877 20 5 HFBDRN O=C(Cn1ccc2ccccc2c1=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000790792284 1078135935 /nfs/dbraw/zinc/13/59/35/1078135935.db2.gz LZEJECVMJGNXCH-MRXNPFEDSA-N 0 0 411.389 2.871 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000790839222 1078142106 /nfs/dbraw/zinc/14/21/06/1078142106.db2.gz NJZUTHUJHVRRDV-UHFFFAOYSA-N 0 0 401.485 2.793 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000790844289 1078145476 /nfs/dbraw/zinc/14/54/76/1078145476.db2.gz UDMCYPYCNFGWIZ-AWEZNQCLSA-N 0 0 413.496 2.842 20 5 HFBDRN COc1ccccc1CCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790845886 1078146500 /nfs/dbraw/zinc/14/65/00/1078146500.db2.gz KVJJMONCTUHZKO-UHFFFAOYSA-N 0 0 423.447 2.992 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOC[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790850392 1078148289 /nfs/dbraw/zinc/14/82/89/1078148289.db2.gz JCFSEMNWOKYBBQ-INIZCTEOSA-N 0 0 421.431 2.882 20 5 HFBDRN CCC(CC)(CCO)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790851739 1078150029 /nfs/dbraw/zinc/15/00/29/1078150029.db2.gz UFWGDXKDVBLLQA-UHFFFAOYSA-N 0 0 403.457 2.587 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@]3(CCCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000790855860 1078152182 /nfs/dbraw/zinc/15/21/82/1078152182.db2.gz FLPOSPBNKNGABY-QGZVFWFLSA-N 0 0 413.452 2.701 20 5 HFBDRN CC(=O)Nc1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790820010 1078154854 /nfs/dbraw/zinc/15/48/54/1078154854.db2.gz QADKATHVXQHOAN-UHFFFAOYSA-N 0 0 409.376 2.846 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-] ZINC000790823787 1078157516 /nfs/dbraw/zinc/15/75/16/1078157516.db2.gz OAEZTUVKQVXGHT-LLVKDONJSA-N 0 0 423.403 2.888 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCC2=CCCC2)CC1 ZINC000790827401 1078158334 /nfs/dbraw/zinc/15/83/34/1078158334.db2.gz ZBUWYXKFSJURMV-UHFFFAOYSA-N 0 0 408.476 2.957 20 5 HFBDRN O=C(N[C@@H]1CCn2ccnc2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790834172 1078160949 /nfs/dbraw/zinc/16/09/49/1078160949.db2.gz ZOMXTOWLVFSROF-LLVKDONJSA-N 0 0 420.267 2.637 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790868038 1078165365 /nfs/dbraw/zinc/16/53/65/1078165365.db2.gz VSXRBYBRLHIOAJ-TZMCWYRMSA-N 0 0 401.441 2.602 20 5 HFBDRN CNC(=O)COc1ccc(N[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000793397140 1078166358 /nfs/dbraw/zinc/16/63/58/1078166358.db2.gz BVMPNHUWBGPJKO-AWEZNQCLSA-N 0 0 400.435 2.857 20 5 HFBDRN COC[C@H]1CCCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790871237 1078166943 /nfs/dbraw/zinc/16/69/43/1078166943.db2.gz WGSGTZWIKCRZFJ-ZDUSSCGKSA-N 0 0 401.441 2.557 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H]2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790871453 1078166960 /nfs/dbraw/zinc/16/69/60/1078166960.db2.gz VBVVNSGETFHNHI-ZWNOBZJWSA-N 0 0 401.441 2.603 20 5 HFBDRN CCOC(=O)N1CCC([C@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC000790876471 1078168511 /nfs/dbraw/zinc/16/85/11/1078168511.db2.gz ZQOKTDAULWUOER-AWEZNQCLSA-N 0 0 413.496 2.747 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000790882606 1078169683 /nfs/dbraw/zinc/16/96/83/1078169683.db2.gz AMUVCJYESRBAFJ-KRWDZBQOSA-N 0 0 417.487 2.633 20 5 HFBDRN CCn1ccc(CN(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000790884213 1078170335 /nfs/dbraw/zinc/17/03/35/1078170335.db2.gz HSXKFBJINQHGPW-UHFFFAOYSA-N 0 0 402.270 2.999 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2ccc(Cl)nc2)c(C)c1[N+](=O)[O-] ZINC000790863907 1078181784 /nfs/dbraw/zinc/18/17/84/1078181784.db2.gz VOZUUVSLCSNHSU-UHFFFAOYSA-N 0 0 414.827 2.689 20 5 HFBDRN Cc1cn(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000793677062 1078251094 /nfs/dbraw/zinc/25/10/94/1078251094.db2.gz MWRGBKZDAVROTM-OAHLLOKOSA-N 0 0 414.384 2.855 20 5 HFBDRN C[C@@]1(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CCN(C(=O)OCc2ccccc2)C1 ZINC000793776103 1078308435 /nfs/dbraw/zinc/30/84/35/1078308435.db2.gz FERIYHAARCEFJG-JOCHJYFZSA-N 0 0 424.457 2.923 20 5 HFBDRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c(C(=O)NCC(F)(F)F)cc1F ZINC000793985032 1078356785 /nfs/dbraw/zinc/35/67/85/1078356785.db2.gz BPPKRMRKJKGHEW-UHFFFAOYSA-N 0 0 415.303 2.564 20 5 HFBDRN CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000793992610 1078358161 /nfs/dbraw/zinc/35/81/61/1078358161.db2.gz NQGFCYWSPUFOLA-UHFFFAOYSA-N 0 0 410.433 2.613 20 5 HFBDRN CC(=O)N1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000794024018 1078363301 /nfs/dbraw/zinc/36/33/01/1078363301.db2.gz XYWXHBDLOUFFFN-SNVBAGLBSA-N 0 0 418.675 2.999 20 5 HFBDRN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000794105003 1078372715 /nfs/dbraw/zinc/37/27/15/1078372715.db2.gz BLOJSZPILUGRRY-UHFFFAOYSA-N 0 0 412.337 2.524 20 5 HFBDRN CCNC(=O)N(C)c1cccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1 ZINC000794111470 1078373588 /nfs/dbraw/zinc/37/35/88/1078373588.db2.gz LWZYLZYKTVGHOR-SFHVURJKSA-N 0 0 411.418 2.892 20 5 HFBDRN COc1ccc(Br)c([C@@H](CO)N(C)Cc2onc(C)c2[N+](=O)[O-])c1 ZINC001170443745 1078380021 /nfs/dbraw/zinc/38/00/21/1078380021.db2.gz SKPMKNDOKSMWRB-CYBMUJFWSA-N 0 0 400.229 2.828 20 5 HFBDRN CCCc1n[nH]c(C(=O)NCCC2=CCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000794177238 1078381311 /nfs/dbraw/zinc/38/13/11/1078381311.db2.gz IBWYWIVAOUWMBW-UHFFFAOYSA-N 0 0 407.471 2.958 20 5 HFBDRN CC(C)c1n[nH]c(C(=O)N[C@]2(C)CCN(C(=O)OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000794228778 1078388852 /nfs/dbraw/zinc/38/88/52/1078388852.db2.gz ITKOQXAHARSFKW-HXUWFJFHSA-N 0 0 415.450 2.972 20 5 HFBDRN C[C@@]1(NC(=O)COc2ccc([N+](=O)[O-])cc2)CCN(C(=O)OCc2ccccc2)C1 ZINC000794235881 1078389766 /nfs/dbraw/zinc/38/97/66/1078389766.db2.gz XJMOAPSNYJKALX-OAQYLSRUSA-N 0 0 413.430 2.891 20 5 HFBDRN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2)C1=O ZINC000794269174 1078397491 /nfs/dbraw/zinc/39/74/91/1078397491.db2.gz ZRWNXULAAMOWBB-INIZCTEOSA-N 0 0 411.418 2.748 20 5 HFBDRN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@@]2(CCOC2)O1 ZINC000794318422 1078412123 /nfs/dbraw/zinc/41/21/23/1078412123.db2.gz ODPAQFBBQOVTRP-RFAUZJTJSA-N 0 0 403.204 2.516 20 5 HFBDRN CCOC(=O)C1(COC)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000794334773 1078417868 /nfs/dbraw/zinc/41/78/68/1078417868.db2.gz PYOUIWDZXQUDMT-UHFFFAOYSA-N 0 0 419.478 2.627 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000804390880 1078449181 /nfs/dbraw/zinc/44/91/81/1078449181.db2.gz HDGDUKPMAAJZJR-IUODEOHRSA-N 0 0 401.385 2.828 20 5 HFBDRN Nc1c(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)cc2ccccc2c1[N+](=O)[O-] ZINC001129402793 1078454297 /nfs/dbraw/zinc/45/42/97/1078454297.db2.gz BJGYHSHYKRZVOL-LJQANCHMSA-N 0 0 418.453 2.904 20 5 HFBDRN COc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]n2C)c([N+](=O)[O-])cc1F ZINC001129450495 1078458064 /nfs/dbraw/zinc/45/80/64/1078458064.db2.gz DQWWHTHOXKXBKH-UHFFFAOYSA-N 0 0 405.773 2.866 20 5 HFBDRN Cc1ccc(OCC(=O)N2CCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)cc1 ZINC000804398914 1078463009 /nfs/dbraw/zinc/46/30/09/1078463009.db2.gz CZDABPGBZFJILL-UHFFFAOYSA-N 0 0 400.391 2.539 20 5 HFBDRN O=Cc1ccc(OCC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000804425191 1078471983 /nfs/dbraw/zinc/47/19/83/1078471983.db2.gz MZJOCEDUIAOPGX-QRVBRYPASA-N 0 0 410.426 2.817 20 5 HFBDRN COC(=O)CN1CCN(c2ccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cc2)CC1 ZINC000804431063 1078475612 /nfs/dbraw/zinc/47/56/12/1078475612.db2.gz JSYJAMTVKMNRNW-UHFFFAOYSA-N 0 0 415.406 2.542 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000804430584 1078476048 /nfs/dbraw/zinc/47/60/48/1078476048.db2.gz AUGJJOJKLJGMSL-ZDUSSCGKSA-N 0 0 408.455 2.778 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)n1 ZINC000804655680 1078487241 /nfs/dbraw/zinc/48/72/41/1078487241.db2.gz SXXIWTHYFDEIKR-HNNXBMFYSA-N 0 0 407.471 2.674 20 5 HFBDRN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000804656163 1078488295 /nfs/dbraw/zinc/48/82/95/1078488295.db2.gz JKWDPIYMWUBWIC-AWEZNQCLSA-N 0 0 416.434 2.601 20 5 HFBDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000804452155 1078488749 /nfs/dbraw/zinc/48/87/49/1078488749.db2.gz CJPZXYGXCUUNTD-BETUJISGSA-N 0 0 419.482 2.619 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000804451585 1078490587 /nfs/dbraw/zinc/49/05/87/1078490587.db2.gz PEMHNCGSGPCPMP-OAHLLOKOSA-N 0 0 418.885 2.956 20 5 HFBDRN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000804657167 1078491221 /nfs/dbraw/zinc/49/12/21/1078491221.db2.gz NUAODYKKUHBLIQ-MRXNPFEDSA-N 0 0 404.467 2.888 20 5 HFBDRN COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC001129504319 1078497885 /nfs/dbraw/zinc/49/78/85/1078497885.db2.gz FLFCIGCRILOXSH-UHFFFAOYSA-N 0 0 412.393 2.835 20 5 HFBDRN C[C@@H]1C[C@@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC001129805672 1078502217 /nfs/dbraw/zinc/50/22/17/1078502217.db2.gz PSZRXKKHBUOHLQ-WOPDTQHZSA-N 0 0 400.273 2.723 20 5 HFBDRN O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H](CNC(=O)C(F)(F)F)C1 ZINC001129487513 1078507335 /nfs/dbraw/zinc/50/73/35/1078507335.db2.gz FJFFKWIHRPLMSX-NSHDSACASA-N 0 0 405.348 2.584 20 5 HFBDRN CCOc1ccc(C(=O)N2CCCc3cccc(S(C)(=O)=O)c32)cc1[N+](=O)[O-] ZINC001129548625 1078539364 /nfs/dbraw/zinc/53/93/64/1078539364.db2.gz AYTGXYJYOIMJFV-UHFFFAOYSA-N 0 0 404.444 2.990 20 5 HFBDRN COCC[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(I)c1C ZINC001129871106 1078568318 /nfs/dbraw/zinc/56/83/18/1078568318.db2.gz DVQHCRKOWBRZPU-VIFPVBQESA-N 0 0 406.220 2.910 20 5 HFBDRN CCCN(CCN1CCCCCC1)C(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001129581445 1078570861 /nfs/dbraw/zinc/57/08/61/1078570861.db2.gz ITHNSJLVZWXFKA-UHFFFAOYSA-N 0 0 411.524 2.727 20 5 HFBDRN CCN(CC(=O)N1CCCCCC1)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000804745377 1078580060 /nfs/dbraw/zinc/58/00/60/1078580060.db2.gz JAWLYVZEWXAOEI-UHFFFAOYSA-N 0 0 406.439 2.985 20 5 HFBDRN CC[C@](COC)(NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)OC ZINC001129617453 1078594690 /nfs/dbraw/zinc/59/46/90/1078594690.db2.gz BQKKHQYBJOVLND-HXUWFJFHSA-N 0 0 407.467 2.529 20 5 HFBDRN Cc1ccc(N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1Br ZINC000804777227 1078602309 /nfs/dbraw/zinc/60/23/09/1078602309.db2.gz WCBSHKHCAHEVTI-LLVKDONJSA-N 0 0 406.302 2.526 20 5 HFBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC000804761859 1078614958 /nfs/dbraw/zinc/61/49/58/1078614958.db2.gz BMLPMRSYADIMMP-MRXNPFEDSA-N 0 0 418.494 2.670 20 5 HFBDRN COC(=O)c1cc(C)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804590504 1078624558 /nfs/dbraw/zinc/62/45/58/1078624558.db2.gz HESGQQWUIRDHTD-QWHCGFSZSA-N 0 0 408.455 2.919 20 5 HFBDRN CN(CCc1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000804810705 1078639064 /nfs/dbraw/zinc/63/90/64/1078639064.db2.gz YWYZIYNPJJAYOD-UHFFFAOYSA-N 0 0 402.432 2.727 20 5 HFBDRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC001129944742 1078640114 /nfs/dbraw/zinc/64/01/14/1078640114.db2.gz GUJNZWFIHAMOGL-CYBMUJFWSA-N 0 0 421.372 2.936 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000804790783 1078648976 /nfs/dbraw/zinc/64/89/76/1078648976.db2.gz FVWCAUNDIZKZBE-CQSZACIVSA-N 0 0 410.732 2.967 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000804606408 1078650498 /nfs/dbraw/zinc/65/04/98/1078650498.db2.gz LQSRPDUBDMQJKD-CQSZACIVSA-N 0 0 406.420 2.914 20 5 HFBDRN O=C1CN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000804822891 1078663029 /nfs/dbraw/zinc/66/30/29/1078663029.db2.gz AYXSIPCFBVSSAS-UHFFFAOYSA-N 0 0 416.234 2.733 20 5 HFBDRN COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000804830135 1078670792 /nfs/dbraw/zinc/67/07/92/1078670792.db2.gz QVKWQQBWCJPDEX-YHYXMXQVSA-N 0 0 420.443 2.675 20 5 HFBDRN CC[C@@](CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)(C(=O)OC)c1ccccc1 ZINC001129674651 1078664453 /nfs/dbraw/zinc/66/44/53/1078664453.db2.gz JTVJIHFHAQKYMW-FQEVSTJZSA-N 0 0 400.387 2.574 20 5 HFBDRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001129678624 1078666572 /nfs/dbraw/zinc/66/65/72/1078666572.db2.gz CIEBCOWGJKRDFZ-UHFFFAOYSA-N 0 0 421.378 2.793 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(c3c(F)cccc3[N+](=O)[O-])C2)C(=O)C1 ZINC000804623900 1078674894 /nfs/dbraw/zinc/67/48/94/1078674894.db2.gz ZKFXAGKHKMUPJK-AWEZNQCLSA-N 0 0 422.457 2.782 20 5 HFBDRN CNC(=O)c1ccc(NC[C@]2(COC)CCCN2C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000804838079 1078680139 /nfs/dbraw/zinc/68/01/39/1078680139.db2.gz PGJCPBLMOUABEI-FQEVSTJZSA-N 0 0 422.482 2.782 20 5 HFBDRN COC(=O)c1cnc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000804839855 1078680422 /nfs/dbraw/zinc/68/04/22/1078680422.db2.gz YXMYZIHHFRCFHO-UHFFFAOYSA-N 0 0 406.294 2.862 20 5 HFBDRN CCC[C@H]1CCCC[C@@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001129733577 1078680783 /nfs/dbraw/zinc/68/07/83/1078680783.db2.gz IVISLFRKLPHGME-JKSUJKDBSA-N 0 0 411.524 2.938 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CCC(C)(NC(=O)OC(C)(C)C)CC3)cc2n(C)c1=O ZINC000804631041 1078686276 /nfs/dbraw/zinc/68/62/76/1078686276.db2.gz NIDOGFRXYOGRCP-UHFFFAOYSA-N 0 0 419.482 2.669 20 5 HFBDRN COc1cc(N2CCN(c3ccc(C)c(Br)c3[N+](=O)[O-])CC2)ncn1 ZINC000804615956 1078689572 /nfs/dbraw/zinc/68/95/72/1078689572.db2.gz GBWGHWDBHIEUIY-UHFFFAOYSA-N 0 0 408.256 2.791 20 5 HFBDRN Cn1ccnc1[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC001129764403 1078707105 /nfs/dbraw/zinc/70/71/05/1078707105.db2.gz MEOBCDLRYUAWJY-IUODEOHRSA-N 0 0 423.267 2.670 20 5 HFBDRN Cn1cc(C(=O)NCc2nccc(C(F)(F)F)n2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001129758940 1078702864 /nfs/dbraw/zinc/70/28/64/1078702864.db2.gz XYGVAPSVFLBHBM-UHFFFAOYSA-N 0 0 406.324 2.734 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000804633245 1078710592 /nfs/dbraw/zinc/71/05/92/1078710592.db2.gz LZQGFFAJRKQPNT-LSDHHAIUSA-N 0 0 423.491 2.583 20 5 HFBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1 ZINC000804634826 1078717690 /nfs/dbraw/zinc/71/76/90/1078717690.db2.gz RWHXMRUNEIPEPE-XHWIFQCKSA-N 0 0 417.462 2.894 20 5 HFBDRN NC(=O)c1ccc(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)nc1Cl ZINC001129746764 1078723460 /nfs/dbraw/zinc/72/34/60/1078723460.db2.gz ICEVYHPYFQFFTF-LLVKDONJSA-N 0 0 420.706 2.915 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H](C2)N3C(=O)OC(C)(C)C)n1 ZINC000804637907 1078724851 /nfs/dbraw/zinc/72/48/51/1078724851.db2.gz NREAQPZOZZDPSV-BETUJISGSA-N 0 0 406.439 2.755 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1[N+](=O)[O-] ZINC000804898145 1078754482 /nfs/dbraw/zinc/75/44/82/1078754482.db2.gz CTMFLJRIVTWFEZ-UHFFFAOYSA-N 0 0 418.356 2.845 20 5 HFBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747225438 1078840815 /nfs/dbraw/zinc/84/08/15/1078840815.db2.gz MFAPCARACTYWGL-CQSZACIVSA-N 0 0 400.309 2.722 20 5 HFBDRN Cc1cc(Cl)nc(CNC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000805031295 1078844305 /nfs/dbraw/zinc/84/43/05/1078844305.db2.gz AAWQFVPNKUBCSI-UHFFFAOYSA-N 0 0 404.854 2.707 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CC[C@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001130069785 1078875833 /nfs/dbraw/zinc/87/58/33/1078875833.db2.gz ITOIVTMOBBXDKN-HNNXBMFYSA-N 0 0 414.437 2.578 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000805106956 1078889787 /nfs/dbraw/zinc/88/97/87/1078889787.db2.gz MHTSEEOVYOSOCL-LBPRGKRZSA-N 0 0 419.887 2.880 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121328 1078910564 /nfs/dbraw/zinc/91/05/64/1078910564.db2.gz OCQCHLLVZRSXHZ-ZDUSSCGKSA-N 0 0 420.365 2.634 20 5 HFBDRN CSc1ccc(OCCOC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000805324748 1079019788 /nfs/dbraw/zinc/01/97/88/1079019788.db2.gz CXLBJMZCLYBZQY-UHFFFAOYSA-N 0 0 416.411 2.535 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000805326851 1079020086 /nfs/dbraw/zinc/02/00/86/1079020086.db2.gz MWGRMWZMKUROBC-GOEBONIOSA-N 0 0 412.471 2.972 20 5 HFBDRN Cc1cc(=O)oc2cc(N(C)C(=O)c3cc([N+](=O)[O-])cc(S(C)(=O)=O)c3)ccc12 ZINC000805355035 1079030528 /nfs/dbraw/zinc/03/05/28/1079030528.db2.gz YMRQYINBYDVTAI-UHFFFAOYSA-N 0 0 416.411 2.690 20 5 HFBDRN CC(C)(C)OC(=O)CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC001130199737 1079069897 /nfs/dbraw/zinc/06/98/97/1079069897.db2.gz PVXHRRQWQLTVFA-UHFFFAOYSA-N 0 0 418.450 2.824 20 5 HFBDRN COc1ccc(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC001130246835 1079134173 /nfs/dbraw/zinc/13/41/73/1079134173.db2.gz GUUGDTPXRCJPHH-ZDUSSCGKSA-N 0 0 421.372 2.718 20 5 HFBDRN CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(C)C ZINC001130259648 1079149220 /nfs/dbraw/zinc/14/92/20/1079149220.db2.gz IJXVNJZWWOKTTH-XJKSGUPXSA-N 0 0 423.441 2.569 20 5 HFBDRN Cn1cnc2c1nccc2C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000805674159 1079213754 /nfs/dbraw/zinc/21/37/54/1079213754.db2.gz JYCLELOXZRMOPO-UHFFFAOYSA-N 0 0 423.307 2.691 20 5 HFBDRN Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC001130327485 1079217832 /nfs/dbraw/zinc/21/78/32/1079217832.db2.gz AMCMYJPFIZKCBB-HNNXBMFYSA-N 0 0 409.402 2.925 20 5 HFBDRN C[C@@H]1CN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CCc2ccc(F)cc21 ZINC001130372056 1079246996 /nfs/dbraw/zinc/24/69/96/1079246996.db2.gz GNSBNWZHTNLBTB-GFCCVEGCSA-N 0 0 406.435 2.939 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000805801537 1079280526 /nfs/dbraw/zinc/28/05/26/1079280526.db2.gz LODLQXTUKOPYFY-YDHLFZDLSA-N 0 0 422.482 2.918 20 5 HFBDRN COC(=O)Nc1cccc(CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000805818834 1079291650 /nfs/dbraw/zinc/29/16/50/1079291650.db2.gz JZSSAUJBAFIRED-UHFFFAOYSA-N 0 0 402.411 2.516 20 5 HFBDRN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001130402920 1079303380 /nfs/dbraw/zinc/30/33/80/1079303380.db2.gz GAWKYVVNDLJALN-KRWDZBQOSA-N 0 0 410.474 2.704 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(F)cc(N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC001130411442 1079312500 /nfs/dbraw/zinc/31/25/00/1079312500.db2.gz TZWXLIQAGHTKPY-BETUJISGSA-N 0 0 405.430 2.881 20 5 HFBDRN C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccncc1 ZINC000805982314 1079364380 /nfs/dbraw/zinc/36/43/80/1079364380.db2.gz UENLURNGOFOHBD-KBPBESRZSA-N 0 0 403.460 2.761 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000747290053 1079387812 /nfs/dbraw/zinc/38/78/12/1079387812.db2.gz IFQKSKLTQIZJJR-HNNXBMFYSA-N 0 0 419.297 2.939 20 5 HFBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)O[C@@H]1CCOc2c(F)cc(F)cc21 ZINC000806006357 1079398514 /nfs/dbraw/zinc/39/85/14/1079398514.db2.gz WSJVMOYXZUKNLK-OAHLLOKOSA-N 0 0 420.324 2.665 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)cc1[N+](=O)[O-] ZINC000806009126 1079399935 /nfs/dbraw/zinc/39/99/35/1079399935.db2.gz YJMWIFZNEZWEPC-CQSZACIVSA-N 0 0 413.354 2.957 20 5 HFBDRN CN(C(=O)OC(C)(C)C)C1(COC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000806055505 1079400573 /nfs/dbraw/zinc/40/05/73/1079400573.db2.gz HVSHQIUDNMRTLC-UHFFFAOYSA-N 0 0 417.422 2.732 20 5 HFBDRN Cn1nccc1[C@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001130491858 1079401265 /nfs/dbraw/zinc/40/12/65/1079401265.db2.gz CBCOIPCJZFXKBW-KRWDZBQOSA-N 0 0 406.414 2.599 20 5 HFBDRN COc1c(C)cccc1CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001130492540 1079401802 /nfs/dbraw/zinc/40/18/02/1079401802.db2.gz NHPKTEYHILCSRH-CQSZACIVSA-N 0 0 403.460 2.894 20 5 HFBDRN CNC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(C(F)(F)F)cc1 ZINC001130493223 1079402867 /nfs/dbraw/zinc/40/28/67/1079402867.db2.gz SZHLRCVXEQFFQC-AWEZNQCLSA-N 0 0 409.364 2.948 20 5 HFBDRN C[C@@H]1[C@H](OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC(=O)N1C ZINC000806066598 1079433177 /nfs/dbraw/zinc/43/31/77/1079433177.db2.gz AERBUKYDUILMMH-AMIZOPFISA-N 0 0 413.217 2.863 20 5 HFBDRN O=C(OCCc1nnc(-c2ccccc2)o1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000806109269 1079440016 /nfs/dbraw/zinc/44/00/16/1079440016.db2.gz AIJDOGSAYUHPKO-UHFFFAOYSA-N 0 0 406.358 2.625 20 5 HFBDRN O=C(NC[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001130544223 1079475803 /nfs/dbraw/zinc/47/58/03/1079475803.db2.gz QWCZHEJEZXILLA-KBPBESRZSA-N 0 0 407.492 2.869 20 5 HFBDRN CCCCC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)OC ZINC000746671098 1076743223 /nfs/dbraw/zinc/74/32/23/1076743223.db2.gz LJOQEANDTUZLGQ-GFCCVEGCSA-N 0 0 423.285 2.758 20 5 HFBDRN CCOC(=O)[C@H](CC1CC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000746673028 1076746382 /nfs/dbraw/zinc/74/63/82/1076746382.db2.gz TXFXBDNOTIHZTB-LBPRGKRZSA-N 0 0 410.370 2.624 20 5 HFBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000746678530 1076792719 /nfs/dbraw/zinc/79/27/19/1076792719.db2.gz KKCSEIKSSSYMKE-NHYWBVRUSA-N 0 0 413.858 2.618 20 5 HFBDRN O=C(Nc1ccc(CN2CCOC2=O)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787399473 1076807944 /nfs/dbraw/zinc/80/79/44/1076807944.db2.gz WWUZAGXYCXVRNN-UHFFFAOYSA-N 0 0 412.402 2.842 20 5 HFBDRN CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)s1 ZINC000787536060 1076851845 /nfs/dbraw/zinc/85/18/45/1076851845.db2.gz GNVARBHHIREMAN-UHFFFAOYSA-N 0 0 423.516 2.980 20 5 HFBDRN CN(C)c1ccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000787593382 1076863178 /nfs/dbraw/zinc/86/31/78/1076863178.db2.gz NXFBAKPHIJDBJJ-UHFFFAOYSA-N 0 0 410.352 2.935 20 5 HFBDRN COC(=O)c1cccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000787612691 1076878626 /nfs/dbraw/zinc/87/86/26/1076878626.db2.gz RNWIMDCCLFHDEO-UHFFFAOYSA-N 0 0 415.402 2.869 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000787660430 1076901777 /nfs/dbraw/zinc/90/17/77/1076901777.db2.gz GIRJGEWIFKQDEZ-LBPRGKRZSA-N 0 0 405.252 2.948 20 5 HFBDRN CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000746703718 1076907273 /nfs/dbraw/zinc/90/72/73/1076907273.db2.gz QXSUMAGKNCDEQT-ZDUSSCGKSA-N 0 0 407.496 2.850 20 5 HFBDRN NC(=O)c1ccnc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)c1[N+](=O)[O-] ZINC001170076934 1076914199 /nfs/dbraw/zinc/91/41/99/1076914199.db2.gz ZDXHUDNYFKZMOG-KRWDZBQOSA-N 0 0 411.462 2.561 20 5 HFBDRN Cc1ccc(N2CCNC2=O)cc1NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000787698688 1076917331 /nfs/dbraw/zinc/91/73/31/1076917331.db2.gz LDEDDXMFYJJQQB-UHFFFAOYSA-N 0 0 421.413 2.999 20 5 HFBDRN C[C@@H](OC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1nnnn1C1CCCCC1 ZINC000787704193 1076919198 /nfs/dbraw/zinc/91/91/98/1076919198.db2.gz PKZLCZIUMUDLGR-GFCCVEGCSA-N 0 0 412.410 2.585 20 5 HFBDRN O=C(OCCOCC(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000787772622 1076942513 /nfs/dbraw/zinc/94/25/13/1076942513.db2.gz IMPIYMWEZVYYDE-UHFFFAOYSA-N 0 0 410.320 2.505 20 5 HFBDRN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000787827843 1076955735 /nfs/dbraw/zinc/95/57/35/1076955735.db2.gz CAMJAIWUOYTSBJ-KRWDZBQOSA-N 0 0 423.828 2.687 20 5 HFBDRN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)C[C@H](C)O 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0 0 420.418 2.759 20 5 HFBDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)OCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000788196861 1077076347 /nfs/dbraw/zinc/07/63/47/1077076347.db2.gz SYCQSZRCILNAFZ-SJLPKXTDSA-N 0 0 414.414 2.922 20 5 HFBDRN C[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000746744137 1077104640 /nfs/dbraw/zinc/10/46/40/1077104640.db2.gz HJYMUIONNUAUKU-RNODOKPDSA-N 0 0 423.425 2.675 20 5 HFBDRN O=[N+]([O-])c1nn(CN2CCC(c3ncc4n3CCCC4)CC2)cc1Br ZINC000788383498 1077137873 /nfs/dbraw/zinc/13/78/73/1077137873.db2.gz ZOTXJCCZUSJJLQ-UHFFFAOYSA-N 0 0 409.288 2.924 20 5 HFBDRN C[C@@H]1C[C@@H](NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)O1 ZINC000788441207 1077147692 /nfs/dbraw/zinc/14/76/92/1077147692.db2.gz OMHHMBYRFPSOHV-QLJPJBMISA-N 0 0 417.805 2.934 20 5 HFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000788417872 1077159309 /nfs/dbraw/zinc/15/93/09/1077159309.db2.gz YKSLUNXPBIJSJB-QGZVFWFLSA-N 0 0 409.851 2.718 20 5 HFBDRN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000788463895 1077168363 /nfs/dbraw/zinc/16/83/63/1077168363.db2.gz MQMBLVZNCBPXSR-UHFFFAOYSA-N 0 0 422.894 2.968 20 5 HFBDRN O=[N+]([O-])c1ccc(CN2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1F ZINC000788470967 1077170316 /nfs/dbraw/zinc/17/03/16/1077170316.db2.gz QAELHPPOOOUFKW-UHFFFAOYSA-N 0 0 411.430 2.770 20 5 HFBDRN C[NH+](C)[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cccc21 ZINC000788490703 1077178730 /nfs/dbraw/zinc/17/87/30/1077178730.db2.gz IKTQUHOAYLEPFB-CQSZACIVSA-N 0 0 422.419 2.689 20 5 HFBDRN CCCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)CC1=O ZINC000788553858 1077199154 /nfs/dbraw/zinc/19/91/54/1077199154.db2.gz PJYVBGISWRQCSD-UHFFFAOYSA-N 0 0 402.495 2.916 20 5 HFBDRN CCOC(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000788589041 1077214338 /nfs/dbraw/zinc/21/43/38/1077214338.db2.gz HCZYSILPKXRALX-ZDUSSCGKSA-N 0 0 412.398 2.906 20 5 HFBDRN CCOC(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000788589029 1077214376 /nfs/dbraw/zinc/21/43/76/1077214376.db2.gz FOXPWTKIPOMLQG-PBFPGSCMSA-N 0 0 406.435 2.869 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC ZINC000790925496 1077234133 /nfs/dbraw/zinc/23/41/33/1077234133.db2.gz OKFICOWFAIUAOB-UHFFFAOYSA-N 0 0 401.780 2.811 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)ccc1[N+](=O)[O-] ZINC000790925300 1077234138 /nfs/dbraw/zinc/23/41/38/1077234138.db2.gz ODHRRYPYJHHILK-UHFFFAOYSA-N 0 0 415.445 2.555 20 5 HFBDRN Cc1cc(S(=O)(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)cc([N+](=O)[O-])c1F ZINC000790931697 1077237982 /nfs/dbraw/zinc/23/79/82/1077237982.db2.gz NJNITXRJMWHMLD-KUHUBIRLSA-N 0 0 410.467 2.950 20 5 HFBDRN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790901086 1077242069 /nfs/dbraw/zinc/24/20/69/1077242069.db2.gz DXGBWQALYFFQNQ-AWEZNQCLSA-N 0 0 403.863 2.700 20 5 HFBDRN C[C@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000790909217 1077245117 /nfs/dbraw/zinc/24/51/17/1077245117.db2.gz NXVWRTAMDNIZJS-HNNXBMFYSA-N 0 0 421.313 2.967 20 5 HFBDRN C[C@@H](CONC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000790912540 1077246390 /nfs/dbraw/zinc/24/63/90/1077246390.db2.gz UYUDIKRGCPNEHZ-VIFPVBQESA-N 0 0 405.810 2.891 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](COc2ccccc2)C1 ZINC000790917267 1077249147 /nfs/dbraw/zinc/24/91/47/1077249147.db2.gz ZAWSUGZJRLZKHY-HNNXBMFYSA-N 0 0 410.423 2.511 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cc2nnc3n2CCC3)cc1 ZINC000791037522 1077278802 /nfs/dbraw/zinc/27/88/02/1077278802.db2.gz QUWUWASUZWIXRW-UHFFFAOYSA-N 0 0 417.429 2.712 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000746975142 1077295869 /nfs/dbraw/zinc/29/58/69/1077295869.db2.gz JYNLIXJYWZVGAL-AEFFLSMTSA-N 0 0 418.377 2.549 20 5 HFBDRN 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CN(C)c1cc(F)c(C(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000791200110 1077321839 /nfs/dbraw/zinc/32/18/39/1077321839.db2.gz ZZNHLYJQNBRLRZ-QGZVFWFLSA-N 0 0 422.482 2.665 20 5 HFBDRN COc1cc(C(=O)N2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])cc1OC ZINC000791165691 1077322795 /nfs/dbraw/zinc/32/27/95/1077322795.db2.gz TWYOGZMWWLVXBS-UHFFFAOYSA-N 0 0 405.382 2.830 20 5 HFBDRN Cn1[nH]cc2c(=NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccnc1-2 ZINC000791167492 1077323871 /nfs/dbraw/zinc/32/38/71/1077323871.db2.gz QNQNVXNRMLHLAW-UHFFFAOYSA-N 0 0 408.340 2.710 20 5 HFBDRN O=C(c1cc2n(n1)CCCO2)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791172064 1077327574 /nfs/dbraw/zinc/32/75/74/1077327574.db2.gz KSQTWFQNHMRMGP-UHFFFAOYSA-N 0 0 407.224 2.535 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)OCc2ncc(Br)s2)cc1[N+](=O)[O-] ZINC000788879271 1077328108 /nfs/dbraw/zinc/32/81/08/1077328108.db2.gz NVPCEPZJUQGEBZ-UHFFFAOYSA-N 0 0 421.250 2.574 20 5 HFBDRN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791174237 1077328295 /nfs/dbraw/zinc/32/82/95/1077328295.db2.gz JXXCZFMTGVDBCJ-SNVBAGLBSA-N 0 0 412.284 2.793 20 5 HFBDRN COC(=O)c1coc(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c1 ZINC000791175363 1077328500 /nfs/dbraw/zinc/32/85/00/1077328500.db2.gz ZPTCUIYBBSOUPH-UHFFFAOYSA-N 0 0 409.192 2.935 20 5 HFBDRN C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000791216584 1077333071 /nfs/dbraw/zinc/33/30/71/1077333071.db2.gz FKTHAUJHYZNSJF-AWEZNQCLSA-N 0 0 401.442 2.714 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCC(CN3CCCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000791217710 1077333338 /nfs/dbraw/zinc/33/33/38/1077333338.db2.gz ORAFITYPGXEKMI-UHFFFAOYSA-N 0 0 406.458 2.665 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000791204078 1077342663 /nfs/dbraw/zinc/34/26/63/1077342663.db2.gz ASSGQISNOOSZEX-UHFFFAOYSA-N 0 0 410.446 2.929 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)OCC(=O)OCC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000788902993 1077346626 /nfs/dbraw/zinc/34/66/26/1077346626.db2.gz DJFYPXBWDRCJFJ-UHFFFAOYSA-N 0 0 415.324 2.719 20 5 HFBDRN COc1ccc(Cl)c(COC(=O)CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000791258764 1077350116 /nfs/dbraw/zinc/35/01/16/1077350116.db2.gz ILQXJVZTSBSFKF-UHFFFAOYSA-N 0 0 408.794 2.739 20 5 HFBDRN CCOC1CC(CCNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000788918169 1077354693 /nfs/dbraw/zinc/35/46/93/1077354693.db2.gz UIVZBOANMBQUSR-UHFFFAOYSA-N 0 0 407.286 2.841 20 5 HFBDRN C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791245583 1077357199 /nfs/dbraw/zinc/35/71/99/1077357199.db2.gz RLDZSIWNFKCMGB-RYUDHWBXSA-N 0 0 413.268 2.826 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)C2=O)c(C)c1 ZINC000788947450 1077357378 /nfs/dbraw/zinc/35/73/78/1077357378.db2.gz CRLWINWAIHIJKI-QGZVFWFLSA-N 0 0 417.487 2.912 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C)C2=O)c(C)c1 ZINC000788951671 1077359443 /nfs/dbraw/zinc/35/94/43/1077359443.db2.gz NYYVIRFFMGZYNG-INIZCTEOSA-N 0 0 417.487 2.912 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])C2=O)c(C)c1 ZINC000788951209 1077359742 /nfs/dbraw/zinc/35/97/42/1077359742.db2.gz YLYVGPPSRNMYOF-QGZVFWFLSA-N 0 0 417.487 2.745 20 5 HFBDRN CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000791286423 1077370627 /nfs/dbraw/zinc/37/06/27/1077370627.db2.gz ZMHGTNXLUHSBKR-XMELGKRDSA-N 0 0 401.423 2.806 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Br)nc2)c([N+](=O)[O-])c1 ZINC000747002585 1077372300 /nfs/dbraw/zinc/37/23/00/1077372300.db2.gz RJMDRUUTVLJJEO-VIFPVBQESA-N 0 0 424.207 2.945 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Br)nc2)c([N+](=O)[O-])c1 ZINC000747002582 1077372309 /nfs/dbraw/zinc/37/23/09/1077372309.db2.gz RJMDRUUTVLJJEO-SECBINFHSA-N 0 0 424.207 2.945 20 5 HFBDRN O=C(COC(=O)Cc1cnc2ccccc2c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000788987632 1077374257 /nfs/dbraw/zinc/37/42/57/1077374257.db2.gz ABFCPOCEDJCRTN-UHFFFAOYSA-N 0 0 409.354 2.596 20 5 HFBDRN O=C(COC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C1CCCCCC1 ZINC000788992180 1077375483 /nfs/dbraw/zinc/37/54/83/1077375483.db2.gz FEBGRNIUHSLFQB-UHFFFAOYSA-N 0 0 402.403 2.945 20 5 HFBDRN CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000789005031 1077379328 /nfs/dbraw/zinc/37/93/28/1077379328.db2.gz LVHKAGDRSZFXRS-GOSISDBHSA-N 0 0 402.338 2.999 20 5 HFBDRN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C(=O)OC(C)(C)C ZINC000791315477 1077383674 /nfs/dbraw/zinc/38/36/74/1077383674.db2.gz UTJQNSDBTVQPQO-XHDPSFHLSA-N 0 0 410.398 2.750 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@](C)(C(N)=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000791379338 1077387700 /nfs/dbraw/zinc/38/77/00/1077387700.db2.gz ICYXKPKRDVYNNA-SFHVURJKSA-N 0 0 408.817 2.584 20 5 HFBDRN CC[C@H](OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000791382067 1077388347 /nfs/dbraw/zinc/38/83/47/1077388347.db2.gz LAJQQVRXVCWXJC-NEPJUHHUSA-N 0 0 412.464 2.924 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F ZINC000791349262 1077390325 /nfs/dbraw/zinc/39/03/25/1077390325.db2.gz OJANOOMIBUFQHC-HNNXBMFYSA-N 0 0 408.386 2.609 20 5 HFBDRN COCC[S@](=O)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC000791368967 1077394911 /nfs/dbraw/zinc/39/49/11/1077394911.db2.gz ZBWZPZBVCNIDNR-LJAQVGFWSA-N 0 0 423.466 2.947 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000791393704 1077397790 /nfs/dbraw/zinc/39/77/90/1077397790.db2.gz SKJULANNKMELNQ-AWEZNQCLSA-N 0 0 410.764 2.644 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000791393230 1077397815 /nfs/dbraw/zinc/39/78/15/1077397815.db2.gz VLCJGOCUGSEHCW-UHFFFAOYSA-N 0 0 412.851 2.867 20 5 HFBDRN CCc1ccc(C(=O)OCCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000791400619 1077399187 /nfs/dbraw/zinc/39/91/87/1077399187.db2.gz GCPVPZJIENOYPO-UHFFFAOYSA-N 0 0 406.460 2.776 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000791401714 1077399397 /nfs/dbraw/zinc/39/93/97/1077399397.db2.gz IUYNVXIECWLPMR-UHFFFAOYSA-N 0 0 424.287 2.948 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)NCc2ccc(NC(=O)OC)cc2)cc1[N+](=O)[O-] ZINC000747010502 1077399834 /nfs/dbraw/zinc/39/98/34/1077399834.db2.gz KNWAGPHPQOPHOC-UHFFFAOYSA-N 0 0 415.402 2.809 20 5 HFBDRN CC[C@H](OC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)C(=O)OC(C)(C)C ZINC000791406925 1077401341 /nfs/dbraw/zinc/40/13/41/1077401341.db2.gz NCEBAUOSHKZYMP-JTQLQIEISA-N 0 0 412.351 2.551 20 5 HFBDRN CN(CCOC(=O)c1cc(Br)ncc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000791431357 1077405812 /nfs/dbraw/zinc/40/58/12/1077405812.db2.gz PPTWGSXPVBLUGH-UHFFFAOYSA-N 0 0 404.217 2.776 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1N1CCOC1=O ZINC000746786720 1077407765 /nfs/dbraw/zinc/40/77/65/1077407765.db2.gz LDDOSXVWFPRXOV-CYBMUJFWSA-N 0 0 412.402 2.676 20 5 HFBDRN CC(=O)c1cc(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)ccc1C ZINC000789138917 1077412307 /nfs/dbraw/zinc/41/23/07/1077412307.db2.gz RKCQTIAMAJQORR-UHFFFAOYSA-N 0 0 400.343 2.630 20 5 HFBDRN O=C(COC(=O)c1cnnn1-c1cccc(F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000789103097 1077413038 /nfs/dbraw/zinc/41/30/38/1077413038.db2.gz GZWWHEPJANQJCS-UHFFFAOYSA-N 0 0 419.756 2.764 20 5 HFBDRN Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])nnn1CC1CCCC1 ZINC000789185029 1077435771 /nfs/dbraw/zinc/43/57/71/1077435771.db2.gz PWCBDSJCMUFBNF-ZDUSSCGKSA-N 0 0 401.423 2.869 20 5 HFBDRN C[C@@H](OC(=O)c1ccnn1CC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000789163681 1077439479 /nfs/dbraw/zinc/43/94/79/1077439479.db2.gz LORWMZABGOBHAX-MRVPVSSYSA-N 0 0 402.741 2.894 20 5 HFBDRN O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789202592 1077459514 /nfs/dbraw/zinc/45/95/14/1077459514.db2.gz GCEBZIJZEGNYKD-OALUTQOASA-N 0 0 412.398 2.725 20 5 HFBDRN COc1cc(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC ZINC000791496824 1077461491 /nfs/dbraw/zinc/46/14/91/1077461491.db2.gz HHJNEMPYGFLGSX-UHFFFAOYSA-N 0 0 406.347 2.815 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789205139 1077461633 /nfs/dbraw/zinc/46/16/33/1077461633.db2.gz MHWOKXUCOVKXMQ-INIZCTEOSA-N 0 0 416.386 2.567 20 5 HFBDRN O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000791585254 1077472469 /nfs/dbraw/zinc/47/24/69/1077472469.db2.gz XNBAGTPGEZKKKD-INIZCTEOSA-N 0 0 407.220 2.856 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)C(F)(F)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000791609417 1077485245 /nfs/dbraw/zinc/48/52/45/1077485245.db2.gz QEASSPJXJQUSRN-UHFFFAOYSA-N 0 0 402.350 2.537 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(C(=S)NC1CCOCC1)CC2 ZINC000789339061 1077527282 /nfs/dbraw/zinc/52/72/82/1077527282.db2.gz KWHCTJVUKJVNCO-UHFFFAOYSA-N 0 0 400.298 2.769 20 5 HFBDRN COC(=O)c1cc(COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000791687354 1077528313 /nfs/dbraw/zinc/52/83/13/1077528313.db2.gz FAXMCLCLRBDTCB-UHFFFAOYSA-N 0 0 417.370 2.842 20 5 HFBDRN COc1cc(C(=O)OCC(=O)NCCOc2cccc(C)c2)cc([N+](=O)[O-])c1C ZINC000791688350 1077528664 /nfs/dbraw/zinc/52/86/64/1077528664.db2.gz LXPWLVWADKGGMR-UHFFFAOYSA-N 0 0 402.403 2.572 20 5 HFBDRN COc1cccc(CN(C)C(=O)COC(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)c1 ZINC000791694060 1077530929 /nfs/dbraw/zinc/53/09/29/1077530929.db2.gz QYXQDKKOVPGTIF-UHFFFAOYSA-N 0 0 402.403 2.736 20 5 HFBDRN COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cc([N+](=O)[O-])c1C ZINC000791694647 1077531455 /nfs/dbraw/zinc/53/14/55/1077531455.db2.gz VEQXNXIYKKKOFG-NSHDSACASA-N 0 0 414.370 2.671 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)OCc1cc(S(C)(=O)=O)ccc1OC ZINC000791741149 1077546023 /nfs/dbraw/zinc/54/60/23/1077546023.db2.gz GVJIRLXVKRUSMR-UHFFFAOYSA-N 0 0 409.416 2.763 20 5 HFBDRN CCC(=O)Nc1cccc(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC000791774846 1077548648 /nfs/dbraw/zinc/54/86/48/1077548648.db2.gz XHFIZAXDWSEBGW-UHFFFAOYSA-N 0 0 406.416 2.704 20 5 HFBDRN Cc1cnc(COC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C)c1[N+](=O)[O-] ZINC000789430478 1077557935 /nfs/dbraw/zinc/55/79/35/1077557935.db2.gz KLVQIUVDYANVSA-UHFFFAOYSA-N 0 0 405.794 2.729 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCCn1cc(Br)cn1 ZINC000791817196 1077565568 /nfs/dbraw/zinc/56/55/68/1077565568.db2.gz FEHXBDSOHVNOQQ-UHFFFAOYSA-N 0 0 415.219 2.668 20 5 HFBDRN CN(C)c1ccc(COC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000789474107 1077567376 /nfs/dbraw/zinc/56/73/76/1077567376.db2.gz VGVSRTIHQJTUPA-QGZVFWFLSA-N 0 0 420.487 2.923 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000789437085 1077571913 /nfs/dbraw/zinc/57/19/13/1077571913.db2.gz GCXLTWKBHPASQO-LBPRGKRZSA-N 0 0 419.459 2.674 20 5 HFBDRN Cc1cnc(COC(=O)c2cnn3cc(Br)cnc23)c(C)c1[N+](=O)[O-] ZINC000789437397 1077572437 /nfs/dbraw/zinc/57/24/37/1077572437.db2.gz BSQSOKDLWIDPMA-UHFFFAOYSA-N 0 0 406.196 2.769 20 5 HFBDRN O=C(CNC(=O)c1cc2c(s1)CCCC2)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791824391 1077574364 /nfs/dbraw/zinc/57/43/64/1077574364.db2.gz LETIPWMUXGAJBW-UHFFFAOYSA-N 0 0 419.415 2.917 20 5 HFBDRN Cc1cnc(COC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)c(C)c1[N+](=O)[O-] ZINC000789441864 1077574629 /nfs/dbraw/zinc/57/46/29/1077574629.db2.gz DGSSQFYDLDEKPQ-LBPRGKRZSA-N 0 0 405.357 2.981 20 5 HFBDRN Cc1cnc(COC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000789441354 1077574835 /nfs/dbraw/zinc/57/48/35/1077574835.db2.gz SCQPVZCDQUDRRJ-UHFFFAOYSA-N 0 0 421.475 2.993 20 5 HFBDRN Cc1cnc(COC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000789443573 1077575813 /nfs/dbraw/zinc/57/58/13/1077575813.db2.gz FFHQHSJLDIVFGA-CYBMUJFWSA-N 0 0 421.475 2.704 20 5 HFBDRN Cc1cnc(COC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)c(C)c1[N+](=O)[O-] ZINC000789443312 1077575849 /nfs/dbraw/zinc/57/58/49/1077575849.db2.gz VBLXRGHTFGEERF-FQEVSTJZSA-N 0 0 418.450 2.541 20 5 HFBDRN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000791878920 1077584339 /nfs/dbraw/zinc/58/43/39/1077584339.db2.gz MZRQACHWAHZECO-JGVFFNPUSA-N 0 0 405.285 2.687 20 5 HFBDRN Cc1cccc2c1OCC[C@H]2OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000789501155 1077597200 /nfs/dbraw/zinc/59/72/00/1077597200.db2.gz RSNZDYMTLIDNAA-QGZVFWFLSA-N 0 0 420.443 2.639 20 5 HFBDRN Cc1cccc2c1OCC[C@@H]2OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000789503033 1077598014 /nfs/dbraw/zinc/59/80/14/1077598014.db2.gz JWJARAASDKGIKO-KRWDZBQOSA-N 0 0 420.443 2.639 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(CN2CCOCC2)c1 ZINC000791940594 1077600551 /nfs/dbraw/zinc/60/05/51/1077600551.db2.gz WKVMTZPOZBBVDA-UHFFFAOYSA-N 0 0 401.375 2.692 20 5 HFBDRN O=C(C[C@H]1CN(Cc2ccccc2)CCO1)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791941211 1077601421 /nfs/dbraw/zinc/60/14/21/1077601421.db2.gz ZTUYVTVKTVJWKW-SFHVURJKSA-N 0 0 415.402 2.837 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)OCCCC3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000789546349 1077638837 /nfs/dbraw/zinc/63/88/37/1077638837.db2.gz GFHREFZRDBCIES-UHFFFAOYSA-N 0 0 419.478 2.627 20 5 HFBDRN CC(C)NC(=O)NC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 ZINC000792017366 1077651452 /nfs/dbraw/zinc/65/14/52/1077651452.db2.gz HVPPQUHJAUYVPR-UHFFFAOYSA-N 0 0 417.510 2.654 20 5 HFBDRN C[C@@]1(c2ccc(F)cc2F)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000789587510 1077671330 /nfs/dbraw/zinc/67/13/30/1077671330.db2.gz GWACEJKGXVWTDE-KRWDZBQOSA-N 0 0 406.301 2.748 20 5 HFBDRN O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CN(Cc1ccccc1)CC2 ZINC000789590952 1077672768 /nfs/dbraw/zinc/67/27/68/1077672768.db2.gz ITSKKLRHIAPYQV-UHFFFAOYSA-N 0 0 421.413 2.666 20 5 HFBDRN Cc1ccc(CN(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)nc1 ZINC000789614063 1077684170 /nfs/dbraw/zinc/68/41/70/1077684170.db2.gz KSLPPUWWOUHEOO-UHFFFAOYSA-N 0 0 421.251 2.966 20 5 HFBDRN COc1ccc(OC(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000792113201 1077702110 /nfs/dbraw/zinc/70/21/10/1077702110.db2.gz HGSBCWRUFYJJJI-UHFFFAOYSA-N 0 0 424.356 2.768 20 5 HFBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000789605614 1077706820 /nfs/dbraw/zinc/70/68/20/1077706820.db2.gz NQFPSVLMBJVIRN-OAHLLOKOSA-N 0 0 405.838 2.903 20 5 HFBDRN Cc1c(NC(=O)[C@@H](C)ON=C(N)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000789643591 1077717071 /nfs/dbraw/zinc/71/70/71/1077717071.db2.gz FGTRLMMCSNRBCP-GFCCVEGCSA-N 0 0 409.443 2.643 20 5 HFBDRN Cc1cc(S(=O)(=O)N(C)C)cc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000789667557 1077734534 /nfs/dbraw/zinc/73/45/34/1077734534.db2.gz JDCUQXFIKFOZRC-UHFFFAOYSA-N 0 0 408.436 2.982 20 5 HFBDRN CSc1nc2nc(C)c(CC(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)c(C)n2n1 ZINC000789672007 1077735872 /nfs/dbraw/zinc/73/58/72/1077735872.db2.gz QGMOXYSBJLIGLF-UHFFFAOYSA-N 0 0 416.463 2.669 20 5 HFBDRN Cc1cc(C(=O)N2CCOCC2)ccc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789672360 1077735891 /nfs/dbraw/zinc/73/58/91/1077735891.db2.gz MZOSLZSNTRLLKT-UHFFFAOYSA-N 0 0 400.391 2.896 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnn(CCO)c1-c1ccccc1 ZINC000792188020 1077738971 /nfs/dbraw/zinc/73/89/71/1077738971.db2.gz VXFKFXCTCMFTDX-UHFFFAOYSA-N 0 0 412.358 2.716 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000789704278 1077745157 /nfs/dbraw/zinc/74/51/57/1077745157.db2.gz XBXOGEVITVKIRE-UHFFFAOYSA-N 0 0 410.180 2.784 20 5 HFBDRN COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2N)cc1 ZINC000789736875 1077772181 /nfs/dbraw/zinc/77/21/81/1077772181.db2.gz HBYGMEJBDHBNQJ-UHFFFAOYSA-N 0 0 402.392 2.776 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747064708 1077786575 /nfs/dbraw/zinc/78/65/75/1077786575.db2.gz DRZKLTPGJFUEIK-CYBMUJFWSA-N 0 0 409.439 2.888 20 5 HFBDRN CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000746859439 1077792056 /nfs/dbraw/zinc/79/20/56/1077792056.db2.gz KJFMNZIWVGBLJR-CQSZACIVSA-N 0 0 419.482 2.840 20 5 HFBDRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792296326 1077794000 /nfs/dbraw/zinc/79/40/00/1077794000.db2.gz WOVFOXIHUUUXPB-CYBMUJFWSA-N 0 0 401.375 2.684 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000747067824 1077803132 /nfs/dbraw/zinc/80/31/32/1077803132.db2.gz DGIHCIIUZINWKA-CHWSQXEVSA-N 0 0 409.439 2.968 20 5 HFBDRN CC(=O)OC(C)(C)C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000792350022 1077811060 /nfs/dbraw/zinc/81/10/60/1077811060.db2.gz FOTLLKKSPLEAKS-SNVBAGLBSA-N 0 0 421.431 2.930 20 5 HFBDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789810370 1077820626 /nfs/dbraw/zinc/82/06/26/1077820626.db2.gz NMXVRWJYUYONIK-CYBMUJFWSA-N 0 0 412.402 2.710 20 5 HFBDRN C[C@H](O)[C@](C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC000792400457 1077835850 /nfs/dbraw/zinc/83/58/50/1077835850.db2.gz DGSCVNGVRAMADN-RBZFPXEDSA-N 0 0 419.865 2.933 20 5 HFBDRN C[C@H](O)[C@@](C)(CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1 ZINC000792400459 1077835969 /nfs/dbraw/zinc/83/59/69/1077835969.db2.gz DGSCVNGVRAMADN-RNODOKPDSA-N 0 0 419.865 2.933 20 5 HFBDRN O=C(CN1CCO[C@H](COc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792377646 1077843724 /nfs/dbraw/zinc/84/37/24/1077843724.db2.gz QOFOXHAYKAVZSU-INIZCTEOSA-N 0 0 405.838 2.967 20 5 HFBDRN CCn1cc([C@@H](O)CN(Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000792378489 1077844214 /nfs/dbraw/zinc/84/42/14/1077844214.db2.gz PQLGSYNVRWYOPP-NRFANRHFSA-N 0 0 423.473 2.646 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000747070113 1077846388 /nfs/dbraw/zinc/84/63/88/1077846388.db2.gz ZOCFJYNIZZMKTM-CZUORRHYSA-N 0 0 421.450 2.746 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2=O)c(C)c1 ZINC000789893718 1077852835 /nfs/dbraw/zinc/85/28/35/1077852835.db2.gz ZVXLTPMIHMCGPF-HNNXBMFYSA-N 0 0 400.410 2.777 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)C2=O)c(C)c1 ZINC000789893719 1077852941 /nfs/dbraw/zinc/85/29/41/1077852941.db2.gz ZVXLTPMIHMCGPF-OAHLLOKOSA-N 0 0 400.410 2.777 20 5 HFBDRN CC(C)CC[C@@]1(C2CC2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1=O ZINC000789989449 1077889002 /nfs/dbraw/zinc/88/90/02/1077889002.db2.gz GUXXOINWHPNUBB-IBGZPJMESA-N 0 0 406.414 2.809 20 5 HFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)CCO2 ZINC000792540296 1077893778 /nfs/dbraw/zinc/89/37/78/1077893778.db2.gz MULNKXYHTRAZQA-BJOHPYRUSA-N 0 0 403.204 2.516 20 5 HFBDRN Cn1nc(C2CCOCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001170182031 1077903163 /nfs/dbraw/zinc/90/31/63/1077903163.db2.gz KUZFEXTWNYTDNK-UHFFFAOYSA-N 0 0 406.464 2.559 20 5 HFBDRN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000792567739 1077907016 /nfs/dbraw/zinc/90/70/16/1077907016.db2.gz QFRKUPQGZUNMHU-ZWKOTPCHSA-N 0 0 406.460 2.630 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)C(=O)OC(C)C ZINC000790039396 1077907905 /nfs/dbraw/zinc/90/79/05/1077907905.db2.gz JFOUGTVFVAWPJQ-JTQLQIEISA-N 0 0 423.285 2.626 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000790044645 1077909688 /nfs/dbraw/zinc/90/96/88/1077909688.db2.gz VFNVKUVTSWBMMT-UHFFFAOYSA-N 0 0 411.480 2.508 20 5 HFBDRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)Oc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000792590902 1077925329 /nfs/dbraw/zinc/92/53/29/1077925329.db2.gz UHJATNBGYKBSJK-KRWDZBQOSA-N 0 0 413.386 2.707 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000790047832 1077927706 /nfs/dbraw/zinc/92/77/06/1077927706.db2.gz IUGJTLWDPBTSJB-RISCZKNCSA-N 0 0 419.297 2.902 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000792618841 1077944329 /nfs/dbraw/zinc/94/43/29/1077944329.db2.gz RBYDZJSZMMMPJB-SNVBAGLBSA-N 0 0 409.468 2.975 20 5 HFBDRN CCS(=O)(=O)c1ccc(CNc2cc(C)c(OCC(=O)OC)c([N+](=O)[O-])c2)cc1 ZINC001170331382 1077945249 /nfs/dbraw/zinc/94/52/49/1077945249.db2.gz UZSUOBMIUXQDGE-UHFFFAOYSA-N 0 0 422.459 2.861 20 5 HFBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC001170335613 1077946987 /nfs/dbraw/zinc/94/69/87/1077946987.db2.gz OKAGMXBAIFPKKS-OAHLLOKOSA-N 0 0 415.425 2.537 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001170352598 1077948457 /nfs/dbraw/zinc/94/84/57/1077948457.db2.gz OKVBPCGSQVOCGG-WBVHZDCISA-N 0 0 423.510 2.838 20 5 HFBDRN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1nc(Br)ccc1F ZINC000792643341 1077951639 /nfs/dbraw/zinc/95/16/39/1077951639.db2.gz UOLCOCVDRNBTSI-UHFFFAOYSA-N 0 0 407.159 2.929 20 5 HFBDRN COc1cc(OCC(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001170347086 1077954562 /nfs/dbraw/zinc/95/45/62/1077954562.db2.gz IBNLGCVHIDHJBU-KBPBESRZSA-N 0 0 423.466 2.886 20 5 HFBDRN COc1ccc(C(=O)NCC(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cc1[N+](=O)[O-] ZINC000746884856 1077965254 /nfs/dbraw/zinc/96/52/54/1077965254.db2.gz XASODZMVEYKFDB-UHFFFAOYSA-N 0 0 423.429 2.979 20 5 HFBDRN CS(=O)(=O)c1ccc([C@H](O)CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412473 1077966803 /nfs/dbraw/zinc/96/68/03/1077966803.db2.gz SGWMCFGKZLZQJL-FXAWDEMLSA-N 0 0 404.488 2.911 20 5 HFBDRN CS(=O)(=O)c1ccc([C@@H](O)CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001170412476 1077966857 /nfs/dbraw/zinc/96/68/57/1077966857.db2.gz SGWMCFGKZLZQJL-XLIONFOSSA-N 0 0 404.488 2.911 20 5 HFBDRN COC(=O)c1cc(OS(=O)(=O)c2c(C)n(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000790197405 1077968127 /nfs/dbraw/zinc/96/81/27/1077968127.db2.gz WAADFJYXLQCYAX-UHFFFAOYSA-N 0 0 404.400 2.949 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)c1F ZINC000790247951 1077976034 /nfs/dbraw/zinc/97/60/34/1077976034.db2.gz CGNQJCUMTMUQDL-ZIAGYGMSSA-N 0 0 402.426 2.981 20 5 HFBDRN O=[N+]([O-])c1cnn(CC[S@@](=O)Cc2csc(COc3ccc(F)cc3)n2)c1 ZINC000772818777 1077976219 /nfs/dbraw/zinc/97/62/19/1077976219.db2.gz POXPEGBZPZNHKM-HHHXNRCGSA-N 0 0 410.452 2.915 20 5 HFBDRN CCC1(CC)CN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CCS1(=O)=O ZINC000790279199 1077983576 /nfs/dbraw/zinc/98/35/76/1077983576.db2.gz RWDCIMVZWRBEFT-UHFFFAOYSA-N 0 0 404.872 2.828 20 5 HFBDRN CCOc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)ccc1[N+](=O)[O-] ZINC000790291888 1077987042 /nfs/dbraw/zinc/98/70/42/1077987042.db2.gz YTHAZTHJXFQMCD-UHFFFAOYSA-N 0 0 405.432 2.660 20 5 HFBDRN COc1cccc(-c2nc(C[S@](=O)CCn3cc([N+](=O)[O-])cn3)cs2)c1OC ZINC000772819893 1077988258 /nfs/dbraw/zinc/98/82/58/1077988258.db2.gz SSNAXFKJXLGCSY-MUUNZHRXSA-N 0 0 422.488 2.881 20 5 HFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CC(=O)N(CC2CC2)C1 ZINC000790269781 1077991432 /nfs/dbraw/zinc/99/14/32/1077991432.db2.gz DMGUMILQGNBRBD-UHFFFAOYSA-N 0 0 402.632 2.663 20 5 HFBDRN COc1cc(OC)cc([C@@H](O)CNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])c1 ZINC000790270572 1077991626 /nfs/dbraw/zinc/99/16/26/1077991626.db2.gz BSYNHTKRFHRWGW-NRFANRHFSA-N 0 0 417.462 2.590 20 5 HFBDRN O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792795852 1077994453 /nfs/dbraw/zinc/99/44/53/1077994453.db2.gz PFYPWKJIDSRTDP-IBGZPJMESA-N 0 0 404.806 2.650 20 5 HFBDRN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000790344662 1078000365 /nfs/dbraw/zinc/00/03/65/1078000365.db2.gz SUVCOXARQOVCKK-OKILXGFUSA-N 0 0 414.418 2.708 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000792858391 1078009753 /nfs/dbraw/zinc/00/97/53/1078009753.db2.gz LDDWOZMYBJXPET-VIFPVBQESA-N 0 0 409.782 2.844 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCOC2CCCC2)cc1Br ZINC000747090640 1078015293 /nfs/dbraw/zinc/01/52/93/1078015293.db2.gz SJKSTVSCJGXZFH-UHFFFAOYSA-N 0 0 407.286 2.985 20 5 HFBDRN CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H](F)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000792875208 1078015528 /nfs/dbraw/zinc/01/55/28/1078015528.db2.gz YOOOQUMGGGANNZ-HNNXBMFYSA-N 0 0 415.487 2.835 20 5 HFBDRN COc1c(C(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cccc1[N+](=O)[O-] ZINC000792880970 1078016479 /nfs/dbraw/zinc/01/64/79/1078016479.db2.gz BHXBKTYTALLUCU-UHFFFAOYSA-N 0 0 401.394 2.908 20 5 HFBDRN CCOCCCNC(=O)[C@H](C)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792899276 1078019242 /nfs/dbraw/zinc/01/92/42/1078019242.db2.gz RCFSKDJFZZMZBK-LBPRGKRZSA-N 0 0 414.300 2.647 20 5 HFBDRN Cc1cc(F)c(F)cc1OS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000790415429 1078021579 /nfs/dbraw/zinc/02/15/79/1078021579.db2.gz ZFWSHKDDZAELQO-UHFFFAOYSA-N 0 0 414.342 2.906 20 5 HFBDRN CC(C)[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000790396409 1078025022 /nfs/dbraw/zinc/02/50/22/1078025022.db2.gz SIVAREUNBFTGEX-RBUKOAKNSA-N 0 0 417.487 2.660 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000790401390 1078026346 /nfs/dbraw/zinc/02/63/46/1078026346.db2.gz AZKRDIHBGOHIIR-TZMCWYRMSA-N 0 0 419.297 2.998 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000790401380 1078026371 /nfs/dbraw/zinc/02/63/71/1078026371.db2.gz AZKRDIHBGOHIIR-JSGCOSHPSA-N 0 0 419.297 2.998 20 5 HFBDRN O=[N+]([O-])c1cnn(CC[S@@](=O)Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000772824448 1078027401 /nfs/dbraw/zinc/02/74/01/1078027401.db2.gz MNWJLYCYDOBNHX-HHHXNRCGSA-N 0 0 406.445 2.592 20 5 HFBDRN Cc1cc(S(=O)(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)cc([N+](=O)[O-])c1F ZINC000790461689 1078027626 /nfs/dbraw/zinc/02/76/26/1078027626.db2.gz VRYLBDOWHAYVHK-MRXNPFEDSA-N 0 0 407.467 2.590 20 5 HFBDRN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000790433024 1078029054 /nfs/dbraw/zinc/02/90/54/1078029054.db2.gz GUQDHDWYDAQDKZ-CJNGLKHVSA-N 0 0 424.450 2.741 20 5 HFBDRN Cc1noc([C@H]2CCCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)n1 ZINC000792971359 1078029425 /nfs/dbraw/zinc/02/94/25/1078029425.db2.gz HAXGCKCCOLQDKH-ZDUSSCGKSA-N 0 0 415.450 2.928 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)c1F ZINC000790437662 1078030811 /nfs/dbraw/zinc/03/08/11/1078030811.db2.gz IFLFMCJZMDVSDK-UHFFFAOYSA-N 0 0 407.348 2.919 20 5 HFBDRN CCOC(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000792958244 1078035471 /nfs/dbraw/zinc/03/54/71/1078035471.db2.gz ZZDALKLBBSPJBD-ZDUSSCGKSA-N 0 0 405.451 2.633 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccnc(-n3ccnc3)c2)cc1[N+](=O)[O-] ZINC000792984389 1078040657 /nfs/dbraw/zinc/04/06/57/1078040657.db2.gz ZRVQSCONDHGZIU-UHFFFAOYSA-N 0 0 422.445 2.728 20 5 HFBDRN CCOC(=O)c1csc([C@@H]2CCCN2Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)n1 ZINC000790481390 1078041305 /nfs/dbraw/zinc/04/13/05/1078041305.db2.gz DLPYXEXHEMVIMQ-ZDUSSCGKSA-N 0 0 418.431 2.931 20 5 HFBDRN CN(Cc1ccc[nH]1)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000747313168 1079549076 /nfs/dbraw/zinc/54/90/76/1079549076.db2.gz HAKHJXUCVUYBGJ-UHFFFAOYSA-N 0 0 415.427 2.963 20 5 HFBDRN CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2Br)CCOC1 ZINC001130640486 1079704483 /nfs/dbraw/zinc/70/44/83/1079704483.db2.gz CGUREBTWCUBQAH-INIZCTEOSA-N 0 0 415.240 2.588 20 5 HFBDRN COC(=O)C12CC(C1)CN2C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001130636221 1079727339 /nfs/dbraw/zinc/72/73/39/1079727339.db2.gz GLRXTAAEPORPTF-UHFFFAOYSA-N 0 0 401.341 2.580 20 5 HFBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC001130690410 1079852281 /nfs/dbraw/zinc/85/22/81/1079852281.db2.gz PEFDCAXLHIFEBL-WCQYABFASA-N 0 0 414.384 2.543 20 5 HFBDRN CC(C)(O)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000806728535 1079951371 /nfs/dbraw/zinc/95/13/71/1079951371.db2.gz CQOQSFKRZVAVNK-UHFFFAOYSA-N 0 0 411.458 2.630 20 5 HFBDRN O=C(Nc1cncc(OCC(F)(F)F)n1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001130735127 1079977994 /nfs/dbraw/zinc/97/79/94/1079977994.db2.gz ODPOLSGFYNPIFH-UHFFFAOYSA-N 0 0 408.296 2.764 20 5 HFBDRN COC(=O)[C@@]1(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)CC[C@@H](C)CC1 ZINC001130737881 1079988611 /nfs/dbraw/zinc/98/86/11/1079988611.db2.gz VWXIVYZAQBJQNY-OYOVHJISSA-N 0 0 400.435 2.691 20 5 HFBDRN CCC(=O)N1CCc2cc(C(=O)COc3ccc(C(=O)OC)c([N+](=O)[O-])c3)ccc21 ZINC000763505579 1080037005 /nfs/dbraw/zinc/03/70/05/1080037005.db2.gz ZVUPVCUSYFKLTN-UHFFFAOYSA-N 0 0 412.398 2.942 20 5 HFBDRN C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806881412 1080079454 /nfs/dbraw/zinc/07/94/54/1080079454.db2.gz MYEWYVFQOXGUQI-UKRRQHHQSA-N 0 0 419.482 2.506 20 5 HFBDRN Cc1ccc(NCCCNC(=O)C(=O)Nc2cccc(C(C)(C)O)c2)c([N+](=O)[O-])c1 ZINC000806910232 1080115713 /nfs/dbraw/zinc/11/57/13/1080115713.db2.gz LPYSOIAZSYXWRB-UHFFFAOYSA-N 0 0 414.462 2.688 20 5 HFBDRN CCN(C)C(=O)c1cccc(NC(=O)C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000806938141 1080147214 /nfs/dbraw/zinc/14/72/14/1080147214.db2.gz WLTUXGZOADUHEB-UHFFFAOYSA-N 0 0 418.837 2.595 20 5 HFBDRN CCC(CC)[C@@H](CCNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2)OC ZINC000747366326 1080192468 /nfs/dbraw/zinc/19/24/68/1080192468.db2.gz UKPFBPPNECPKJX-CYBMUJFWSA-N 0 0 411.411 2.845 20 5 HFBDRN CS(=O)(=O)CCOc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC001130872568 1080347413 /nfs/dbraw/zinc/34/74/13/1080347413.db2.gz ZTZRKEITHFDPEJ-MSOLQXFVSA-N 0 0 404.444 2.760 20 5 HFBDRN COc1ccc(C2=NO[C@@H](CNC(=O)N(C)CCc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000807217109 1080414451 /nfs/dbraw/zinc/41/44/51/1080414451.db2.gz QYXVATRFPIGLQV-GOSISDBHSA-N 0 0 412.446 2.981 20 5 HFBDRN O=C(NCc1nnnn1-c1ccccc1)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001130895685 1080432597 /nfs/dbraw/zinc/43/25/97/1080432597.db2.gz UPMSWHASCXPRRG-UHFFFAOYSA-N 0 0 401.386 2.563 20 5 HFBDRN CN(C)c1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000807298077 1080491734 /nfs/dbraw/zinc/49/17/34/1080491734.db2.gz SELDEOPEXRRVTF-UHFFFAOYSA-N 0 0 404.854 2.954 20 5 HFBDRN Cc1cc(Br)ncc1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000807297433 1080493474 /nfs/dbraw/zinc/49/34/74/1080493474.db2.gz FADNUPSBECGLHY-UHFFFAOYSA-N 0 0 421.251 2.700 20 5 HFBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807389713 1080586249 /nfs/dbraw/zinc/58/62/49/1080586249.db2.gz LDSNUWSFWZMIMT-UHFFFAOYSA-N 0 0 424.885 2.826 20 5 HFBDRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164663019 719360544 /nfs/dbraw/zinc/36/05/44/719360544.db2.gz HAYUVZPTGGEAHV-VIFPVBQESA-N 0 0 402.789 2.550 20 5 HFBDRN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001164779753 721340930 /nfs/dbraw/zinc/34/09/30/721340930.db2.gz VRSOHKFETWBRNS-FQEVSTJZSA-N 0 0 419.457 2.853 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)[C@@H]2CCCO[C@@H]12 ZINC001164805392 721567879 /nfs/dbraw/zinc/56/78/79/721567879.db2.gz NKXBOJBCXADGKO-YVWKXTFCSA-N 0 0 408.462 2.734 20 5 HFBDRN CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])C2 ZINC001165010267 721698897 /nfs/dbraw/zinc/69/88/97/721698897.db2.gz GHWRETGGJUKYNS-UHFFFAOYSA-N 0 0 415.285 2.534 20 5 HFBDRN COc1ncnc(N2CCc3c(CN(C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-] ZINC001164911870 721754170 /nfs/dbraw/zinc/75/41/70/721754170.db2.gz ZZGLESPVFKEGGH-UHFFFAOYSA-N 0 0 410.434 2.576 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)C[C@H]2CN1c1cccnc1 ZINC001165025598 721788546 /nfs/dbraw/zinc/78/85/46/721788546.db2.gz VUKPTKSSXWVWMB-GWCFXTLKSA-N 0 0 409.780 2.682 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@H]21 ZINC001164941020 721942279 /nfs/dbraw/zinc/94/22/79/721942279.db2.gz DLIHQJFNPGKFAR-UXHICEINSA-N 0 0 409.446 2.837 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4c(cccc4[N+](=O)[O-])n3)C[C@H]21 ZINC001164944573 721944449 /nfs/dbraw/zinc/94/44/49/721944449.db2.gz ROCUVUSFKCECPE-UXHICEINSA-N 0 0 409.446 2.837 20 5 HFBDRN O=C1NCCN(Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC001164949820 721969387 /nfs/dbraw/zinc/96/93/87/721969387.db2.gz YVFSVINMRAZBME-UHFFFAOYSA-N 0 0 415.881 2.614 20 5 HFBDRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3O2)n1 ZINC001164965563 722040915 /nfs/dbraw/zinc/04/09/15/722040915.db2.gz ZIOQXIPFDJLFDO-NHCYSSNCSA-N 0 0 415.784 2.716 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc(C)cc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164989650 722175179 /nfs/dbraw/zinc/17/51/79/722175179.db2.gz UUJOGCBTNJMIGD-FUHWJXTLSA-N 0 0 403.508 2.933 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001165004248 722259906 /nfs/dbraw/zinc/25/99/06/722259906.db2.gz PMLAMZTUPMTQEP-LJQANCHMSA-N 0 0 419.844 2.710 20 5 HFBDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001165003255 722260155 /nfs/dbraw/zinc/26/01/55/722260155.db2.gz FRQPWPUIMNWXET-IBGZPJMESA-N 0 0 419.844 2.710 20 5 HFBDRN Cc1c(C)c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)ncc1[N+](=O)[O-] ZINC001165005880 722265306 /nfs/dbraw/zinc/26/53/06/722265306.db2.gz FKIIZDZHTKIFLP-OAQYLSRUSA-N 0 0 413.453 2.673 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1cccc(CN2C(=O)CNC2=O)c1 ZINC000790527446 1078051324 /nfs/dbraw/zinc/05/13/24/1078051324.db2.gz DULBRQXFCYXAOF-UHFFFAOYSA-N 0 0 420.784 2.620 20 5 HFBDRN CCC1(CC)CN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000793031318 1078051953 /nfs/dbraw/zinc/05/19/53/1078051953.db2.gz PQBJRONRHRWJIX-GDLZYMKVSA-N 0 0 423.535 2.981 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2O)CC1 ZINC000790535490 1078053252 /nfs/dbraw/zinc/05/32/52/1078053252.db2.gz JTWZUDCHIJYNMO-UHFFFAOYSA-N 0 0 421.812 2.620 20 5 HFBDRN CS(=O)(=O)Cc1cccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790547900 1078053642 /nfs/dbraw/zinc/05/36/42/1078053642.db2.gz ZGUAXBVXHAAWNQ-UHFFFAOYSA-N 0 0 414.842 2.791 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCCC23OCCO3)cc1[N+](=O)[O-] ZINC000793045755 1078054976 /nfs/dbraw/zinc/05/49/76/1078054976.db2.gz CIYBFMVECHVMTB-MRXNPFEDSA-N 0 0 405.451 2.633 20 5 HFBDRN Cc1c(CNC(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)cccc1[N+](=O)[O-] ZINC000790558370 1078055721 /nfs/dbraw/zinc/05/57/21/1078055721.db2.gz IUIURENOFAIIEN-NVXWUHKLSA-N 0 0 405.476 2.999 20 5 HFBDRN CS(=O)(=O)c1ccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])s1 ZINC000790571489 1078058499 /nfs/dbraw/zinc/05/84/99/1078058499.db2.gz SACCIMJGAUZBIH-UHFFFAOYSA-N 0 0 406.844 2.711 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)nc1Br ZINC000793073160 1078062918 /nfs/dbraw/zinc/06/29/18/1078062918.db2.gz OWLPEKUVUXZUAZ-UHFFFAOYSA-N 0 0 421.251 2.700 20 5 HFBDRN COc1ccc(-c2nc(CS(=O)(=O)CCn3cc([N+](=O)[O-])cn3)cs2)cc1 ZINC000772826338 1078059079 /nfs/dbraw/zinc/05/90/79/1078059079.db2.gz CTPSHWQSPISRKK-UHFFFAOYSA-N 0 0 408.461 2.538 20 5 HFBDRN COc1cccc(N2C[C@@H](NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2=O)c1 ZINC000790545550 1078060424 /nfs/dbraw/zinc/06/04/24/1078060424.db2.gz IPARIEWTCNQQJG-LBPRGKRZSA-N 0 0 421.812 2.860 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000793095736 1078073672 /nfs/dbraw/zinc/07/36/72/1078073672.db2.gz KNIAKOFMIDMKHI-DOMZBBRYSA-N 0 0 402.234 2.584 20 5 HFBDRN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746933799 1078072165 /nfs/dbraw/zinc/07/21/65/1078072165.db2.gz FPXYSCWQGMFHHU-JTQLQIEISA-N 0 0 416.814 2.798 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCNC(=O)c1cccc(O)c1 ZINC000790616055 1078077069 /nfs/dbraw/zinc/07/70/69/1078077069.db2.gz YMMFIERIGHXVIO-UHFFFAOYSA-N 0 0 409.801 2.572 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H]1CC[C@@H](S(C)(=O)=O)C1 ZINC000793162330 1078085409 /nfs/dbraw/zinc/08/54/09/1078085409.db2.gz XTUOPHJRMKNKKA-WDEREUQCSA-N 0 0 406.254 2.788 20 5 HFBDRN O=C(NCc1nc(C2CC2)no1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790673300 1078086294 /nfs/dbraw/zinc/08/62/94/1078086294.db2.gz NJBHWWIGXCIAPY-UHFFFAOYSA-N 0 0 422.239 2.886 20 5 HFBDRN C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000746938653 1078088789 /nfs/dbraw/zinc/08/87/89/1078088789.db2.gz IJXLOACJHNZRBD-YUNKPMOVSA-N 0 0 421.425 2.914 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000790647378 1078092574 /nfs/dbraw/zinc/09/25/74/1078092574.db2.gz SUDATOPRQPERCM-CQSZACIVSA-N 0 0 421.431 2.757 20 5 HFBDRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746939908 1078095485 /nfs/dbraw/zinc/09/54/85/1078095485.db2.gz WXUSGRTYDULRAT-IBGZPJMESA-N 0 0 404.394 2.997 20 5 HFBDRN Cc1cc(=O)c(C(=O)OCc2csc(Cl)n2)nn1-c1ccccc1[N+](=O)[O-] ZINC000793230515 1078102143 /nfs/dbraw/zinc/10/21/43/1078102143.db2.gz YWAUWPNEDMOISC-UHFFFAOYSA-N 0 0 406.807 2.916 20 5 HFBDRN COCC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793240455 1078108345 /nfs/dbraw/zinc/10/83/45/1078108345.db2.gz MLYFNITVJYTQTB-UHFFFAOYSA-N 0 0 407.467 2.875 20 5 HFBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3ncccc3C(N)=O)cc2[N+](=O)[O-])C1 ZINC000793272712 1078115679 /nfs/dbraw/zinc/11/56/79/1078115679.db2.gz SSBDXSMKEBGUNI-ZIAGYGMSSA-N 0 0 412.446 2.928 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC(=O)NC1CCCCC1 ZINC000790740973 1078121293 /nfs/dbraw/zinc/12/12/93/1078121293.db2.gz MJCOXRNQKFRGHL-UHFFFAOYSA-N 0 0 415.805 2.632 20 5 HFBDRN C[C@H](OC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000790743209 1078122103 /nfs/dbraw/zinc/12/21/03/1078122103.db2.gz VAVMHPQNVDBMRY-VIFPVBQESA-N 0 0 423.784 2.599 20 5 HFBDRN O=C(COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H]1Cc2ccccc2O1 ZINC000790746293 1078123303 /nfs/dbraw/zinc/12/33/03/1078123303.db2.gz QLEAFSOSXJIQTH-ZDUSSCGKSA-N 0 0 422.796 2.593 20 5 HFBDRN COC(=O)c1cnc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000790775001 1078130195 /nfs/dbraw/zinc/13/01/95/1078130195.db2.gz UWPNBEAWLMXKRI-QWHCGFSZSA-N 0 0 408.455 2.906 20 5 HFBDRN COC(=O)c1cnc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000790775002 1078130225 /nfs/dbraw/zinc/13/02/25/1078130225.db2.gz UWPNBEAWLMXKRI-STQMWFEESA-N 0 0 408.455 2.906 20 5 HFBDRN COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000790776435 1078130617 /nfs/dbraw/zinc/13/06/17/1078130617.db2.gz HXAPKYFWMOHQDE-OAHLLOKOSA-N 0 0 408.455 2.858 20 5 HFBDRN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790797380 1078137423 /nfs/dbraw/zinc/13/74/23/1078137423.db2.gz QMVQJTMBRZTSOZ-LBPRGKRZSA-N 0 0 402.806 2.501 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790839928 1078142902 /nfs/dbraw/zinc/14/29/02/1078142902.db2.gz WYAUDVHJOKBKQL-CQSZACIVSA-N 0 0 413.496 2.747 20 5 HFBDRN CCCCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(=O)OC ZINC000790858630 1078147737 /nfs/dbraw/zinc/14/77/37/1078147737.db2.gz DAYOFZODEIDEFD-GFCCVEGCSA-N 0 0 417.440 2.520 20 5 HFBDRN CCO[C@@H](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C(C)C ZINC000790851593 1078148949 /nfs/dbraw/zinc/14/89/49/1078148949.db2.gz QSMGAFOOWMILOR-AWEZNQCLSA-N 0 0 403.457 2.849 20 5 HFBDRN CCc1cnc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000790851604 1078148959 /nfs/dbraw/zinc/14/89/59/1078148959.db2.gz LDPDLAZSKBCKIB-UHFFFAOYSA-N 0 0 414.465 2.660 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(C)c1[N+](=O)[O-] ZINC000790852669 1078150626 /nfs/dbraw/zinc/15/06/26/1078150626.db2.gz JGIRKBLJAZMJEW-LYRGGWFBSA-N 0 0 413.452 2.602 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)C[C@H](O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790856267 1078151898 /nfs/dbraw/zinc/15/18/98/1078151898.db2.gz IMCBGISPKOSOJT-BZNIZROVSA-N 0 0 423.447 2.910 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](C)[C@H](n3ccnc3)C2)c(C)c1[N+](=O)[O-] ZINC000790855816 1078152207 /nfs/dbraw/zinc/15/22/07/1078152207.db2.gz DBVYWBQXSFKCGW-XHDPSFHLSA-N 0 0 423.451 2.588 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2c2ncc[nH]2)c(C)c1[N+](=O)[O-] ZINC000790857446 1078152556 /nfs/dbraw/zinc/15/25/56/1078152556.db2.gz OWWDVVWDPKDKAP-LBPRGKRZSA-N 0 0 409.424 2.759 20 5 HFBDRN O=C(OCCN1C(=O)NC2(CCCC2)C1=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747118628 1078163873 /nfs/dbraw/zinc/16/38/73/1078163873.db2.gz HLRACGSMQRMAPO-UHFFFAOYSA-N 0 0 415.324 2.635 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000790823240 1078156570 /nfs/dbraw/zinc/15/65/70/1078156570.db2.gz KMJXWQKNKWBLGG-MRXNPFEDSA-N 0 0 421.431 2.882 20 5 HFBDRN COc1cccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790826496 1078157779 /nfs/dbraw/zinc/15/77/79/1078157779.db2.gz MXNSMDWOOLNKHX-UHFFFAOYSA-N 0 0 409.420 2.649 20 5 HFBDRN CC(=O)Nc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790825779 1078158117 /nfs/dbraw/zinc/15/81/17/1078158117.db2.gz CAPNUYDOBVCANF-UHFFFAOYSA-N 0 0 422.419 2.557 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOc3ccccc3C2)c(C)c1[N+](=O)[O-] ZINC000790835600 1078161233 /nfs/dbraw/zinc/16/12/33/1078161233.db2.gz KETJXAHICUABJD-UHFFFAOYSA-N 0 0 407.404 2.703 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000790836610 1078162087 /nfs/dbraw/zinc/16/20/87/1078162087.db2.gz VGROLAYUOQUAES-UHFFFAOYSA-N 0 0 413.496 2.843 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2([C@H](C)CCO)CCC2)c(C)c1[N+](=O)[O-] ZINC000790864774 1078163148 /nfs/dbraw/zinc/16/31/48/1078163148.db2.gz FQVYZOSRZBPTJF-LLVKDONJSA-N 0 0 415.468 2.587 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCO[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790868036 1078165355 /nfs/dbraw/zinc/16/53/55/1078165355.db2.gz VSXRBYBRLHIOAJ-OCCSQVGLSA-N 0 0 401.441 2.602 20 5 HFBDRN CC(=O)Oc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790869509 1078165699 /nfs/dbraw/zinc/16/56/99/1078165699.db2.gz ZEWYJYZYLCESIQ-UHFFFAOYSA-N 0 0 410.360 2.813 20 5 HFBDRN CNC(=O)COc1ccc(N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000793398280 1078167056 /nfs/dbraw/zinc/16/70/56/1078167056.db2.gz JNWAANYBFQGAGC-CQSZACIVSA-N 0 0 400.435 2.857 20 5 HFBDRN CCOC1CC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000790883453 1078169668 /nfs/dbraw/zinc/16/96/68/1078169668.db2.gz MZBQWPQJWKAFEL-UHFFFAOYSA-N 0 0 401.441 2.603 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)Nc1nnc(C2CC2)o1 ZINC000747119335 1078173603 /nfs/dbraw/zinc/17/36/03/1078173603.db2.gz OOELGELKEGCBHS-UHFFFAOYSA-N 0 0 400.269 2.670 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000790896090 1078176082 /nfs/dbraw/zinc/17/60/82/1078176082.db2.gz YPHBMNGWESVPCD-WBMJQRKESA-N 0 0 412.801 2.874 20 5 HFBDRN CCC(CC)(CC(=O)OC)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790858002 1078177349 /nfs/dbraw/zinc/17/73/49/1078177349.db2.gz XOHFEVHPCRZVAK-UHFFFAOYSA-N 0 0 417.440 2.520 20 5 HFBDRN Cn1cc(N2CCC[C@@H](OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)cn1 ZINC000747123902 1078181384 /nfs/dbraw/zinc/18/13/84/1078181384.db2.gz JXVDUJQTXRGGPF-CQSZACIVSA-N 0 0 412.324 2.700 20 5 HFBDRN COc1c(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000793481257 1078188401 /nfs/dbraw/zinc/18/84/01/1078188401.db2.gz ZCEYOQYSQCPTFS-LLVKDONJSA-N 0 0 403.464 2.838 20 5 HFBDRN Cc1cc(=O)n2nc(COC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)sc2n1 ZINC000747126137 1078198601 /nfs/dbraw/zinc/19/86/01/1078198601.db2.gz QYDITFBZOGXHFJ-UHFFFAOYSA-N 0 0 414.321 2.743 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@H]2CN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000793721751 1078265772 /nfs/dbraw/zinc/26/57/72/1078265772.db2.gz NCQCKASIPMOHHH-DZGCQCFKSA-N 0 0 418.450 2.792 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H](Cc1nnc[nH]1)c1ccccc1 ZINC000793872529 1078329222 /nfs/dbraw/zinc/32/92/22/1078329222.db2.gz CMAWQXZVWMXGAS-MRXNPFEDSA-N 0 0 410.390 2.654 20 5 HFBDRN O=C(NCc1cccnc1F)c1cc([N+](=O)[O-])ccc1I ZINC000793999804 1078359637 /nfs/dbraw/zinc/35/96/37/1078359637.db2.gz OOIVJQDOUBKYNE-UHFFFAOYSA-N 0 0 401.135 2.664 20 5 HFBDRN CC(=O)N1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 ZINC000794021907 1078363001 /nfs/dbraw/zinc/36/30/01/1078363001.db2.gz DFDXLJHXDRYRLQ-QGZVFWFLSA-N 0 0 402.495 2.819 20 5 HFBDRN Cn1c(C(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000794037182 1078363520 /nfs/dbraw/zinc/36/35/20/1078363520.db2.gz HWPRIDCPDNFVLV-MRXNPFEDSA-N 0 0 400.435 2.712 20 5 HFBDRN Cn1c(C(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000794037181 1078363546 /nfs/dbraw/zinc/36/35/46/1078363546.db2.gz HWPRIDCPDNFVLV-INIZCTEOSA-N 0 0 400.435 2.712 20 5 HFBDRN CCn1nccc1CN(CCO)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000794052886 1078366553 /nfs/dbraw/zinc/36/65/53/1078366553.db2.gz ARTKQSXBCUETEN-UHFFFAOYSA-N 0 0 415.494 2.682 20 5 HFBDRN Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cccc1N1C(=O)CNC1=O ZINC000794280259 1078399965 /nfs/dbraw/zinc/39/99/65/1078399965.db2.gz MQZHWKDJBHXMMQ-UHFFFAOYSA-N 0 0 423.429 2.812 20 5 HFBDRN CC(C)n1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nn1 ZINC000794279142 1078399969 /nfs/dbraw/zinc/39/99/69/1078399969.db2.gz PNEHKQIMSLIJGF-UHFFFAOYSA-N 0 0 412.372 2.748 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000794311532 1078408391 /nfs/dbraw/zinc/40/83/91/1078408391.db2.gz CRSWAIZQTHCFIT-HRAATJIYSA-N 0 0 403.479 2.851 20 5 HFBDRN CCOc1cc(C(=O)N(CCO)Cc2cccnc2Cl)c([N+](=O)[O-])cc1OC ZINC000794317393 1078410326 /nfs/dbraw/zinc/41/03/26/1078410326.db2.gz BVQLNRYQIVFULY-UHFFFAOYSA-N 0 0 409.826 2.685 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N(CCO)Cc1cccnc1Cl ZINC000794321556 1078413391 /nfs/dbraw/zinc/41/33/91/1078413391.db2.gz CUTJBIADNZTSPP-UHFFFAOYSA-N 0 0 401.753 2.879 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000804394355 1078450686 /nfs/dbraw/zinc/45/06/86/1078450686.db2.gz GRKSMOYULNIBHY-ZDUSSCGKSA-N 0 0 401.297 2.821 20 5 HFBDRN CC(C)(C)OC(=O)NC[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000804376728 1078453698 /nfs/dbraw/zinc/45/36/98/1078453698.db2.gz INIGALAGTXDPNK-GFCCVEGCSA-N 0 0 403.439 2.985 20 5 HFBDRN Nc1c(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)cc2ccccc2c1[N+](=O)[O-] ZINC001129402791 1078454337 /nfs/dbraw/zinc/45/43/37/1078454337.db2.gz BJGYHSHYKRZVOL-IBGZPJMESA-N 0 0 418.453 2.904 20 5 HFBDRN CCCCCCNC(=O)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000804398627 1078462993 /nfs/dbraw/zinc/46/29/93/1078462993.db2.gz NXIKDUJDIPNWOR-HNNXBMFYSA-N 0 0 417.510 2.698 20 5 HFBDRN CCCCCCNC(=O)[C@@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000804398628 1078463037 /nfs/dbraw/zinc/46/30/37/1078463037.db2.gz NXIKDUJDIPNWOR-OAHLLOKOSA-N 0 0 417.510 2.698 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 ZINC000804431802 1078476894 /nfs/dbraw/zinc/47/68/94/1078476894.db2.gz JSVCFWBPEVISFR-HNNXBMFYSA-N 0 0 421.450 2.884 20 5 HFBDRN CCc1n[nH]c(C(=O)N2CCCC[C@H]2COC(=O)N2CCC(C)CC2)c1[N+](=O)[O-] ZINC000804654558 1078481948 /nfs/dbraw/zinc/48/19/48/1078481948.db2.gz SLKFTZJAQQAOBW-AWEZNQCLSA-N 0 0 407.471 2.744 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)CN1CCOCC1 ZINC001129772995 1078483099 /nfs/dbraw/zinc/48/30/99/1078483099.db2.gz KXZNWMNRMRPJMV-UHFFFAOYSA-N 0 0 414.300 2.849 20 5 HFBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC001129500317 1078489989 /nfs/dbraw/zinc/48/99/89/1078489989.db2.gz ZMNCXPPRQFPBSU-HOCLYGCPSA-N 0 0 416.503 2.993 20 5 HFBDRN COCCO[C@@H]1C[C@H](CO)CN(c2ccc(C)c(Br)c2[N+](=O)[O-])C1 ZINC000804669929 1078504299 /nfs/dbraw/zinc/50/42/99/1078504299.db2.gz XIJRLFZVWDEHQD-QWHCGFSZSA-N 0 0 403.273 2.516 20 5 HFBDRN C[C@@H]1C[C@@H](CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC001129805670 1078502214 /nfs/dbraw/zinc/50/22/14/1078502214.db2.gz PSZRXKKHBUOHLQ-UTUOFQBUSA-N 0 0 400.273 2.723 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000804441659 1078507392 /nfs/dbraw/zinc/50/73/92/1078507392.db2.gz HZMWBZFTBOJAKQ-HXUWFJFHSA-N 0 0 414.437 2.874 20 5 HFBDRN O=C(NCCN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1)c1ccccc1F ZINC000804443813 1078510122 /nfs/dbraw/zinc/51/01/22/1078510122.db2.gz NZJNYECBBAOCDJ-UHFFFAOYSA-N 0 0 406.845 2.939 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000804462634 1078525904 /nfs/dbraw/zinc/52/59/04/1078525904.db2.gz OVPKNJIZPDPJTE-UHFFFAOYSA-N 0 0 400.800 2.547 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000804691600 1078530744 /nfs/dbraw/zinc/53/07/44/1078530744.db2.gz ZSKRPMZTLQEWGG-UHFFFAOYSA-N 0 0 418.790 2.686 20 5 HFBDRN Cc1ccc([C@H](O)[C@@H](C)NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000804473187 1078534251 /nfs/dbraw/zinc/53/42/51/1078534251.db2.gz MVXGXKGCQWBPSF-DDUZABMNSA-N 0 0 417.487 2.808 20 5 HFBDRN Cc1cccc(C2(O)CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)CC2)c1C ZINC000804505964 1078541553 /nfs/dbraw/zinc/54/15/53/1078541553.db2.gz NGCVELWDTAIOAE-UHFFFAOYSA-N 0 0 410.474 2.890 20 5 HFBDRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCC2(S(C)(=O)=O)CCCC2)CC1 ZINC000804700162 1078541804 /nfs/dbraw/zinc/54/18/04/1078541804.db2.gz QNNSUMGAHNIRKC-UHFFFAOYSA-N 0 0 423.535 2.918 20 5 HFBDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000804493691 1078551233 /nfs/dbraw/zinc/55/12/33/1078551233.db2.gz GJKWGTJGXJNLQD-CHWSQXEVSA-N 0 0 419.482 2.525 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(c1nccc(N3CCOCC3)n1)CC2 ZINC000804703588 1078567554 /nfs/dbraw/zinc/56/75/54/1078567554.db2.gz QVJJKDRDFMMORC-UHFFFAOYSA-N 0 0 420.267 2.547 20 5 HFBDRN COCc1nc(OC)cc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000804704984 1078571778 /nfs/dbraw/zinc/57/17/78/1078571778.db2.gz KRFZDIRQGBLMPA-UHFFFAOYSA-N 0 0 409.240 2.865 20 5 HFBDRN Cc1ncccc1NC(=O)[C@H](C)NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC001129611234 1078581892 /nfs/dbraw/zinc/58/18/92/1078581892.db2.gz YSILKSXUIZFBPB-LBPRGKRZSA-N 0 0 406.826 2.864 20 5 HFBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(C)c2S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC001129896556 1078590796 /nfs/dbraw/zinc/59/07/96/1078590796.db2.gz AXMQBZZLVFPQHU-UHFFFAOYSA-N 0 0 406.416 2.736 20 5 HFBDRN COCCOc1ccccc1N1CCN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804562907 1078597609 /nfs/dbraw/zinc/59/76/09/1078597609.db2.gz VNZNHJDUQDXOGY-UHFFFAOYSA-N 0 0 402.407 2.855 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1[N+](=O)[O-] ZINC000804562981 1078597986 /nfs/dbraw/zinc/59/79/86/1078597986.db2.gz IXCRJCNNWIKNJE-OLZOCXBDSA-N 0 0 408.455 2.967 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000804562984 1078598049 /nfs/dbraw/zinc/59/80/49/1078598049.db2.gz IXCRJCNNWIKNJE-STQMWFEESA-N 0 0 408.455 2.967 20 5 HFBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000804760676 1078609153 /nfs/dbraw/zinc/60/91/53/1078609153.db2.gz WOJNFSBVAXVWPR-UHFFFAOYSA-N 0 0 401.467 2.584 20 5 HFBDRN Cc1sc(C(=O)NCCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1[N+](=O)[O-] ZINC000804590935 1078625826 /nfs/dbraw/zinc/62/58/26/1078625826.db2.gz RZNHQYVKOGTPKM-UHFFFAOYSA-N 0 0 412.449 2.793 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000747212066 1078622581 /nfs/dbraw/zinc/62/25/81/1078622581.db2.gz QNQHEHPJVDUTOY-HNNXBMFYSA-N 0 0 406.483 2.761 20 5 HFBDRN C[C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]1C(=O)OC(C)(C)C ZINC001129951627 1078627536 /nfs/dbraw/zinc/62/75/36/1078627536.db2.gz RLEKPLNKIWYMDI-GUYCJALGSA-N 0 0 415.450 2.758 20 5 HFBDRN CSc1cc(C)ccc1NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001129952775 1078629558 /nfs/dbraw/zinc/62/95/58/1078629558.db2.gz KPTKWDXTWWQFAJ-UHFFFAOYSA-N 0 0 409.489 2.884 20 5 HFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804797655 1078630049 /nfs/dbraw/zinc/63/00/49/1078630049.db2.gz MUMSPTUWWFMONJ-UBSPAHDZSA-N 0 0 406.382 2.748 20 5 HFBDRN COc1cc(C(N)=O)ccc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001129672982 1078631336 /nfs/dbraw/zinc/63/13/36/1078631336.db2.gz HABIPHIJVLIOHO-UHFFFAOYSA-N 0 0 400.210 2.779 20 5 HFBDRN CC[C@H]1CN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000804580169 1078638053 /nfs/dbraw/zinc/63/80/53/1078638053.db2.gz XBDHKEPLCNEBAX-STQMWFEESA-N 0 0 408.455 2.906 20 5 HFBDRN C[C@H]1C[C@@H](N2CCOCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804809108 1078638599 /nfs/dbraw/zinc/63/85/99/1078638599.db2.gz OQWLZRLLIICHRF-CMPLNLGQSA-N 0 0 404.345 2.821 20 5 HFBDRN C[C@H](O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)ccc1F ZINC000804804714 1078634429 /nfs/dbraw/zinc/63/44/29/1078634429.db2.gz BHNHEHFWPRARCM-VIFPVBQESA-N 0 0 418.410 2.714 20 5 HFBDRN CCOC(=O)C1(S(C)(=O)=O)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000804825676 1078663573 /nfs/dbraw/zinc/66/35/73/1078663573.db2.gz ZRCDORDGCSRDIE-UHFFFAOYSA-N 0 0 424.397 2.560 20 5 HFBDRN CSc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804632441 1078675280 /nfs/dbraw/zinc/67/52/80/1078675280.db2.gz BCQWAXJRTDHDSY-CABCVRRESA-N 0 0 423.491 2.827 20 5 HFBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1csnn1 ZINC001129971495 1078676416 /nfs/dbraw/zinc/67/64/16/1078676416.db2.gz KRMLOCDVPHDODJ-ZCFIWIBFSA-N 0 0 404.189 2.542 20 5 HFBDRN COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1SC ZINC001129736242 1078682747 /nfs/dbraw/zinc/68/27/47/1078682747.db2.gz HJHGWUQTFKHJOP-FQEVSTJZSA-N 0 0 415.471 2.595 20 5 HFBDRN COC[C@]1(CNc2nc(C(=O)OC)ccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804837595 1078679037 /nfs/dbraw/zinc/67/90/37/1078679037.db2.gz GKOUOSUDAGUSCM-LJQANCHMSA-N 0 0 424.454 2.604 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC(O)(c2ccccc2)C1 ZINC000804837606 1078679102 /nfs/dbraw/zinc/67/91/02/1078679102.db2.gz OHJPCSBULPVQNP-UHFFFAOYSA-N 0 0 402.350 2.596 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000804630525 1078684027 /nfs/dbraw/zinc/68/40/27/1078684027.db2.gz DKHCUZMZLNJYHW-KBPBESRZSA-N 0 0 411.842 2.758 20 5 HFBDRN CCOC(=O)c1ccc(N2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)nc1 ZINC000747203806 1078692735 /nfs/dbraw/zinc/69/27/35/1078692735.db2.gz JKGJSEKLODBMBE-UHFFFAOYSA-N 0 0 404.398 2.641 20 5 HFBDRN Cn1ccnc1[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCO1 ZINC001129764407 1078707066 /nfs/dbraw/zinc/70/70/66/1078707066.db2.gz MEOBCDLRYUAWJY-WFASDCNBSA-N 0 0 423.267 2.670 20 5 HFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000804634824 1078717601 /nfs/dbraw/zinc/71/76/01/1078717601.db2.gz RWHXMRUNEIPEPE-AAYSUMNASA-N 0 0 417.462 2.894 20 5 HFBDRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NC(=O)c2cc(F)c([N+](=O)[O-])cc2F)s1 ZINC000804909430 1078731772 /nfs/dbraw/zinc/73/17/72/1078731772.db2.gz OFOWWOUQCFKPOY-JGVFFNPUSA-N 0 0 413.406 2.680 20 5 HFBDRN O=C(COc1ccc2c(c1F)CCC2=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000804917034 1078739156 /nfs/dbraw/zinc/73/91/56/1078739156.db2.gz LTGRKKXVNWKXSE-UHFFFAOYSA-N 0 0 413.405 2.590 20 5 HFBDRN O=C1c2ccc(Br)cc2S(=O)(=O)N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000804921628 1078742680 /nfs/dbraw/zinc/74/26/80/1078742680.db2.gz GQLDXZGOBYBHDU-UHFFFAOYSA-N 0 0 415.196 2.841 20 5 HFBDRN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(C(F)(F)F)cn2)C1=O ZINC000804896356 1078752888 /nfs/dbraw/zinc/75/28/88/1078752888.db2.gz MRBXFYOPAAHQDA-KRWDZBQOSA-N 0 0 422.319 2.659 20 5 HFBDRN COC[C@]1(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCN1C(=O)OC(C)(C)C ZINC000804938605 1078763988 /nfs/dbraw/zinc/76/39/88/1078763988.db2.gz QFGIPDDLSOLUNO-HXUWFJFHSA-N 0 0 422.482 2.810 20 5 HFBDRN Cc1cc(OS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)ccc1[N+](=O)[O-] ZINC000804940445 1078765680 /nfs/dbraw/zinc/76/56/80/1078765680.db2.gz CTMFJHUBRDONAV-UHFFFAOYSA-N 0 0 407.372 2.667 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000804931564 1078787866 /nfs/dbraw/zinc/78/78/66/1078787866.db2.gz YRQZBBCBJVUNOC-SFHVURJKSA-N 0 0 415.450 2.910 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747223206 1078782746 /nfs/dbraw/zinc/78/27/46/1078782746.db2.gz JKLDBGLPQPTICJ-AWEZNQCLSA-N 0 0 400.309 2.965 20 5 HFBDRN COCCOCCOCCOCCNc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170474527 1078869436 /nfs/dbraw/zinc/86/94/36/1078869436.db2.gz DYBNYEGCHWNJDS-UHFFFAOYSA-N 0 0 405.451 2.765 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000805106627 1078890277 /nfs/dbraw/zinc/89/02/77/1078890277.db2.gz ICCDOEKLXKMINZ-OAHLLOKOSA-N 0 0 413.496 2.843 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000805106280 1078891172 /nfs/dbraw/zinc/89/11/72/1078891172.db2.gz BXWDQQPHFODQCA-ZDUSSCGKSA-N 0 0 417.459 2.674 20 5 HFBDRN C[C@@H]1C[C@H](C)N(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001130098122 1078948050 /nfs/dbraw/zinc/94/80/50/1078948050.db2.gz KWNWHETVVFDVPW-ILXRZTDVSA-N 0 0 409.487 2.579 20 5 HFBDRN 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MSLJOAQBASKPRN-UHFFFAOYSA-N 0 0 411.183 2.970 20 5 HFBDRN O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000746905726 1078012058 /nfs/dbraw/zinc/01/20/58/1078012058.db2.gz LGDCOMGMMQHRJJ-UHFFFAOYSA-N 0 0 416.377 2.958 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790390575 1078013180 /nfs/dbraw/zinc/01/31/80/1078013180.db2.gz SKPNCSUQXQXTHL-NSHDSACASA-N 0 0 409.420 2.696 20 5 HFBDRN C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790370524 1078016685 /nfs/dbraw/zinc/01/66/85/1078016685.db2.gz OXIRVTMJRRZJAM-JTQLQIEISA-N 0 0 418.313 2.691 20 5 HFBDRN C[C@H]1CCCN(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790374016 1078017631 /nfs/dbraw/zinc/01/76/31/1078017631.db2.gz ZDENNRQQHRAICE-NSHDSACASA-N 0 0 418.313 2.692 20 5 HFBDRN Cc1c(C(=O)N[C@@H](C(C)C)[C@H](O)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000790406342 1078019798 /nfs/dbraw/zinc/01/97/98/1078019798.db2.gz YYCLIPIDJZZDAR-AZUAARDMSA-N 0 0 409.446 2.972 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Br)c[nH]c2=O)c1F ZINC000790402671 1078026799 /nfs/dbraw/zinc/02/67/99/1078026799.db2.gz DZPDKFMCNZFPLE-UHFFFAOYSA-N 0 0 406.189 2.706 20 5 HFBDRN O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)N3c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)N1 ZINC001157526638 1078026972 /nfs/dbraw/zinc/02/69/72/1078026972.db2.gz ULTUNSQSFQVLRV-RAKKMVLPSA-N 0 0 411.393 2.505 20 5 HFBDRN O=C(NCc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000792951693 1078033504 /nfs/dbraw/zinc/03/35/04/1078033504.db2.gz PKSAFMCNSAEJQC-UHFFFAOYSA-N 0 0 423.179 2.520 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000792952394 1078033754 /nfs/dbraw/zinc/03/37/54/1078033754.db2.gz HQBLFCAQMNZSKG-QGZVFWFLSA-N 0 0 403.410 2.820 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000790457178 1078037072 /nfs/dbraw/zinc/03/70/72/1078037072.db2.gz LMSJSSIWEGXVFW-MKBNYLNASA-N 0 0 404.872 2.514 20 5 HFBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1CN1CCO[C@@H](COc2ccccc2)C1 ZINC000790459671 1078038302 /nfs/dbraw/zinc/03/83/02/1078038302.db2.gz MXESQTDBBUBHHU-HXUWFJFHSA-N 0 0 422.441 2.556 20 5 HFBDRN COc1ccc([C@@H](CN(C)C)NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cc1 ZINC000790477959 1078040402 /nfs/dbraw/zinc/04/04/02/1078040402.db2.gz AOWRGFPABSRYHG-MRXNPFEDSA-N 0 0 411.455 2.632 20 5 HFBDRN CO[C@@H]1CCCC[C@H]1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC001130576965 1079545591 /nfs/dbraw/zinc/54/55/91/1079545591.db2.gz VSCFFQLJOPFHGS-CHWSQXEVSA-N 0 0 404.204 2.887 20 5 HFBDRN O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000806366999 1079652878 /nfs/dbraw/zinc/65/28/78/1079652878.db2.gz HQPMMPDVRJPSKT-KGLIPLIRSA-N 0 0 400.229 2.769 20 5 HFBDRN CO[C@]1(C)C[C@H](OC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1(C)C ZINC000747327887 1079663166 /nfs/dbraw/zinc/66/31/66/1079663166.db2.gz FLHUZZJRQHVNDW-RRUGBERISA-N 0 0 414.480 2.786 20 5 HFBDRN Cc1cc(=O)c(C(=O)NCC[C@]2(C)C[C@@]2(F)Cl)nn1-c1ccccc1[N+](=O)[O-] ZINC001130624053 1079667222 /nfs/dbraw/zinc/66/72/22/1079667222.db2.gz XPQDGAZQBYPBFH-MSOLQXFVSA-N 0 0 408.817 2.884 20 5 HFBDRN COC(=O)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCC[C@H](OC)C1 ZINC001130630438 1079710346 /nfs/dbraw/zinc/71/03/46/1079710346.db2.gz AQTFPPNYICNHEX-SUNYJGFJSA-N 0 0 415.446 2.807 20 5 HFBDRN C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000806453964 1079724142 /nfs/dbraw/zinc/72/41/42/1079724142.db2.gz DLMAYVOMGIYNDK-ZVZYQTTQSA-N 0 0 420.466 2.735 20 5 HFBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001130690408 1079852490 /nfs/dbraw/zinc/85/24/90/1079852490.db2.gz PEFDCAXLHIFEBL-AAEUAGOBSA-N 0 0 414.384 2.543 20 5 HFBDRN CNC(=O)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(C(F)(F)F)cc1 ZINC001130703279 1079867136 /nfs/dbraw/zinc/86/71/36/1079867136.db2.gz GJWYJJFWRTZSOQ-CQSZACIVSA-N 0 0 409.364 2.948 20 5 HFBDRN C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000806645170 1079900991 /nfs/dbraw/zinc/90/09/91/1079900991.db2.gz VZLNDXONDAZIKK-KBXCAEBGSA-N 0 0 401.444 2.990 20 5 HFBDRN CC(C)(O)c1ccc(CNC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000806727428 1079950246 /nfs/dbraw/zinc/95/02/46/1079950246.db2.gz GVDVZJMLSAABSV-UHFFFAOYSA-N 0 0 411.458 2.630 20 5 HFBDRN COc1cccnc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000806767128 1079986970 /nfs/dbraw/zinc/98/69/70/1079986970.db2.gz QTNAKAVLHIZOMN-UHFFFAOYSA-N 0 0 424.379 2.909 20 5 HFBDRN CC1(C)C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)c2cc(F)ccc2O1 ZINC001130748872 1080015013 /nfs/dbraw/zinc/01/50/13/1080015013.db2.gz YHLMRNXDACTGQS-OAHLLOKOSA-N 0 0 412.381 2.742 20 5 HFBDRN CN(C)C(=O)[C@](C)(NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(F)(F)F ZINC001130767925 1080066046 /nfs/dbraw/zinc/06/60/46/1080066046.db2.gz WCYUODYMHIBWFO-LBPRGKRZSA-N 0 0 401.263 2.753 20 5 HFBDRN CC(C)(O)c1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000806965290 1080134334 /nfs/dbraw/zinc/13/43/34/1080134334.db2.gz FODGBBUMTNRUIE-UHFFFAOYSA-N 0 0 405.838 2.773 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000807037953 1080227478 /nfs/dbraw/zinc/22/74/78/1080227478.db2.gz HPWMSJUSFWYLCK-IBGZPJMESA-N 0 0 410.474 2.970 20 5 HFBDRN CC(=O)N1CSC[C@@H]1C(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000747371404 1080284760 /nfs/dbraw/zinc/28/47/60/1080284760.db2.gz WTMFCDYIAIKIIH-QGZVFWFLSA-N 0 0 415.427 2.674 20 5 HFBDRN Cc1c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000807229792 1080388704 /nfs/dbraw/zinc/38/87/04/1080388704.db2.gz JADJFTLQLRDWGR-SREVYHEPSA-N 0 0 408.411 2.931 20 5 HFBDRN NC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCOC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000747389696 1080472474 /nfs/dbraw/zinc/47/24/74/1080472474.db2.gz JJZFXNCFUXITRJ-AWEZNQCLSA-N 0 0 415.402 2.529 20 5 HFBDRN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001130959752 1080637481 /nfs/dbraw/zinc/63/74/81/1080637481.db2.gz LVECCKLKICUISB-MRXNPFEDSA-N 0 0 406.464 2.676 20 5 HFBDRN COC(=O)c1ccc2c(n1)CCCN2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001130960776 1080641707 /nfs/dbraw/zinc/64/17/07/1080641707.db2.gz WYSSDTOXNASKMQ-UHFFFAOYSA-N 0 0 407.386 2.555 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000807523503 1080775055 /nfs/dbraw/zinc/77/50/55/1080775055.db2.gz KGEJXGXROBYHJU-UHFFFAOYSA-N 0 0 423.179 2.565 20 5 HFBDRN COc1ccc(N2C[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2=O)cc1 ZINC001130986824 1080815573 /nfs/dbraw/zinc/81/55/73/1080815573.db2.gz UIKXREIEGOPMIB-ZDUSSCGKSA-N 0 0 403.822 2.721 20 5 HFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC001130986778 1080815675 /nfs/dbraw/zinc/81/56/75/1080815675.db2.gz LLKHOUCROVDTJX-HXUWFJFHSA-N 0 0 419.441 2.695 20 5 HFBDRN 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O=C1C[C@H]2[C@@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)N1Cc1cccnc1 ZINC001164691654 719765554 /nfs/dbraw/zinc/76/55/54/719765554.db2.gz PRFSDDHCKJZDJA-OCCSQVGLSA-N 0 0 423.807 2.963 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2nccc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12 ZINC001164795692 721528473 /nfs/dbraw/zinc/52/84/73/721528473.db2.gz RRJOTORFFUPORF-JFIYKMOQSA-N 0 0 403.870 2.906 20 5 HFBDRN CSc1nc(Cl)c([N+](=O)[O-])c(N2CCN(CCOc3ccccc3)CC2)n1 ZINC001165042963 721953444 /nfs/dbraw/zinc/95/34/44/721953444.db2.gz VFCRJZHWFGVNPM-UHFFFAOYSA-N 0 0 409.899 2.961 20 5 HFBDRN O=C(NCC[C@@H](O)c1ccccc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000792997081 1078044354 /nfs/dbraw/zinc/04/43/54/1078044354.db2.gz NXHMANYSHOMORK-OAHLLOKOSA-N 0 0 422.235 2.536 20 5 HFBDRN Cc1cc(S(N)(=O)=O)cc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1C ZINC000790538918 1078045767 /nfs/dbraw/zinc/04/57/67/1078045767.db2.gz JUHDMXSSHRZZTH-UHFFFAOYSA-N 0 0 415.830 2.833 20 5 HFBDRN Nc1ccc(Br)c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000747098659 1078047463 /nfs/dbraw/zinc/04/74/63/1078047463.db2.gz ZWUHHGRTIVLAFP-UHFFFAOYSA-N 0 0 412.171 2.874 20 5 HFBDRN CCN(CC)C(=O)N1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790530492 1078052140 /nfs/dbraw/zinc/05/21/40/1078052140.db2.gz OQNOVGMAPUPDTP-UHFFFAOYSA-N 0 0 400.838 2.536 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1[N+](=O)[O-] ZINC000793045739 1078054956 /nfs/dbraw/zinc/05/49/56/1078054956.db2.gz CCKCGUAJSMMHKJ-CQSZACIVSA-N 0 0 405.451 2.633 20 5 HFBDRN COC(=O)c1ccc(OCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 ZINC000790557764 1078055586 /nfs/dbraw/zinc/05/55/86/1078055586.db2.gz CVRJZTZMPNQPFI-UHFFFAOYSA-N 0 0 410.785 2.912 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)N(C)CCO3)c(C)c1[N+](=O)[O-] ZINC000790633692 1078069979 /nfs/dbraw/zinc/06/99/79/1078069979.db2.gz FMOGMFPGIKKGPG-UHFFFAOYSA-N 0 0 422.419 2.749 20 5 HFBDRN O=C(CNC(=O)c1cccc(Br)c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000746938971 1078091585 /nfs/dbraw/zinc/09/15/85/1078091585.db2.gz NOQVRAOMIQIYND-UHFFFAOYSA-N 0 0 411.183 2.970 20 5 HFBDRN COc1ccccc1-c1nc(CS(=O)(=O)CCn2cc([N+](=O)[O-])cn2)cs1 ZINC000772828602 1078087446 /nfs/dbraw/zinc/08/74/46/1078087446.db2.gz ZHXZTHZMMHFLDH-UHFFFAOYSA-N 0 0 408.461 2.538 20 5 HFBDRN CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000746938896 1078092009 /nfs/dbraw/zinc/09/20/09/1078092009.db2.gz YLMBHLSBNPUJDL-UHFFFAOYSA-N 0 0 402.787 2.652 20 5 HFBDRN O=C(OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1cccc(-c2nc[nH]n2)c1 ZINC000793147245 1078090043 /nfs/dbraw/zinc/09/00/43/1078090043.db2.gz MVRSSYCAWYMQMC-INIZCTEOSA-N 0 0 421.413 2.842 20 5 HFBDRN O=C(CN1CCOCC1=O)Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000790653706 1078094558 /nfs/dbraw/zinc/09/45/58/1078094558.db2.gz PFUXWXZFZMWESG-UHFFFAOYSA-N 0 0 419.821 2.625 20 5 HFBDRN CN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000790708471 1078101884 /nfs/dbraw/zinc/10/18/84/1078101884.db2.gz XKJOXPRBPUDKIZ-NSHDSACASA-N 0 0 411.739 2.551 20 5 HFBDRN CCC1CCC2(CC1)NC(=O)N(CC(=O)OCc1ccc([N+](=O)[O-])cc1F)C2=O ZINC000746941702 1078102950 /nfs/dbraw/zinc/10/29/50/1078102950.db2.gz NIVIWZUXDVKYNV-UHFFFAOYSA-N 0 0 407.398 2.668 20 5 HFBDRN CC(C)N1CC[C@H](OC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000746941105 1078106411 /nfs/dbraw/zinc/10/64/11/1078106411.db2.gz PRRTWIAHPHCPNI-AWEZNQCLSA-N 0 0 403.357 2.968 20 5 HFBDRN O=C(COC(=O)Cn1ccc2ccccc2c1=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000790726945 1078116744 /nfs/dbraw/zinc/11/67/44/1078116744.db2.gz NCCXPOAOXFTDQC-UHFFFAOYSA-N 0 0 415.789 2.745 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCCc1nnnn1-c1ccccc1 ZINC000790745015 1078122874 /nfs/dbraw/zinc/12/28/74/1078122874.db2.gz KKYTXQOWJGLTER-UHFFFAOYSA-N 0 0 405.773 2.691 20 5 HFBDRN COc1cccc(CNC(=O)COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790747295 1078123892 /nfs/dbraw/zinc/12/38/92/1078123892.db2.gz XOUPPQYTIGDWJH-UHFFFAOYSA-N 0 0 410.785 2.798 20 5 HFBDRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)C2=O)c1 ZINC000790812699 1078127464 /nfs/dbraw/zinc/12/74/64/1078127464.db2.gz CAWBPKSKTVSFQY-QGZVFWFLSA-N 0 0 417.393 2.595 20 5 HFBDRN CC[C@@H]1CN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000790771135 1078128749 /nfs/dbraw/zinc/12/87/49/1078128749.db2.gz BYGVDYQELJOFFO-OCCSQVGLSA-N 0 0 408.455 2.906 20 5 HFBDRN COC(=O)CCN(C[C@H]1CCCO1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790797379 1078137335 /nfs/dbraw/zinc/13/73/35/1078137335.db2.gz QMVQJTMBRZTSOZ-GFCCVEGCSA-N 0 0 402.806 2.501 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2OCCc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000790842624 1078143855 /nfs/dbraw/zinc/14/38/55/1078143855.db2.gz HNOYFDPAVLJENG-INIZCTEOSA-N 0 0 421.431 2.712 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2cccc(F)c2F)c(C)c1[N+](=O)[O-] ZINC000790842104 1078143972 /nfs/dbraw/zinc/14/39/72/1078143972.db2.gz BLZYISRAYLIQLZ-UHFFFAOYSA-N 0 0 415.374 2.919 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCS[C@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790850627 1078147984 /nfs/dbraw/zinc/14/79/84/1078147984.db2.gz LJLDIUPXWNIVIP-ZDUSSCGKSA-N 0 0 403.482 2.882 20 5 HFBDRN CCO[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000790851331 1078149172 /nfs/dbraw/zinc/14/91/72/1078149172.db2.gz DSLPZWCFKSTLMF-HUUCEWRRSA-N 0 0 413.452 2.746 20 5 HFBDRN CC(=O)N(C)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790850808 1078149535 /nfs/dbraw/zinc/14/95/35/1078149535.db2.gz HPHWLHRVMZPNRM-UHFFFAOYSA-N 0 0 423.403 2.870 20 5 HFBDRN CO[C@@]1(C)C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1(C)C ZINC000790851696 1078150035 /nfs/dbraw/zinc/15/00/35/1078150035.db2.gz SYQMMSGCXCAJGF-PBHICJAKSA-N 0 0 415.468 2.944 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC(C)(C)OCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000790853045 1078150614 /nfs/dbraw/zinc/15/06/14/1078150614.db2.gz YDCDJBGWMHBFCK-UHFFFAOYSA-N 0 0 401.441 2.698 20 5 HFBDRN COc1cccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790820319 1078154859 /nfs/dbraw/zinc/15/48/59/1078154859.db2.gz ZSQTZGDSGZNAJR-UHFFFAOYSA-N 0 0 409.420 2.949 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3=O)cc2)c1[N+](=O)[O-] ZINC000790823380 1078156628 /nfs/dbraw/zinc/15/66/28/1078156628.db2.gz DNLZIIYFZAZUOF-UHFFFAOYSA-N 0 0 403.460 2.817 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000790867287 1078164372 /nfs/dbraw/zinc/16/43/72/1078164372.db2.gz QOPAYWNEJQPBFB-KRWDZBQOSA-N 0 0 417.487 2.681 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CCO[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000790871452 1078166941 /nfs/dbraw/zinc/16/69/41/1078166941.db2.gz VBVVNSGETFHNHI-MFKMUULPSA-N 0 0 401.441 2.603 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000790870863 1078167567 /nfs/dbraw/zinc/16/75/67/1078167567.db2.gz MVVMDIOTLZCXAJ-UHFFFAOYSA-N 0 0 410.360 2.674 20 5 HFBDRN CCC[C@H](O)CCNC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001157783478 1078167804 /nfs/dbraw/zinc/16/78/04/1078167804.db2.gz NNPFPQWHILMUEA-INIZCTEOSA-N 0 0 422.459 2.643 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC([C@@H]3CCCO3)CC2)c(C)c1[N+](=O)[O-] ZINC000790876826 1078168771 /nfs/dbraw/zinc/16/87/71/1078168771.db2.gz PJOLKPPWLVTNCV-HNNXBMFYSA-N 0 0 413.452 2.700 20 5 HFBDRN COC(=O)c1nccc2c1cccc2S(=O)(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 ZINC000790896976 1078176418 /nfs/dbraw/zinc/17/64/18/1078176418.db2.gz VZPJXNSDEJJAME-UHFFFAOYSA-N 0 0 418.383 2.706 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC(=O)NC1CCCC1 ZINC000747118080 1078178332 /nfs/dbraw/zinc/17/83/32/1078178332.db2.gz AFJLKBQEOMWOON-UHFFFAOYSA-N 0 0 403.313 2.539 20 5 HFBDRN CC(C)CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747118968 1078178438 /nfs/dbraw/zinc/17/84/38/1078178438.db2.gz LNHLBUXCWMMBKY-SECBINFHSA-N 0 0 405.329 2.641 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000790860817 1078179132 /nfs/dbraw/zinc/17/91/32/1078179132.db2.gz GEUDTTYZOGKWCD-LLVKDONJSA-N 0 0 401.485 2.651 20 5 HFBDRN CCc1cc(CCCOC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)on1 ZINC000793463116 1078179673 /nfs/dbraw/zinc/17/96/73/1078179673.db2.gz ZZGXNDWMQVXBLV-AWEZNQCLSA-N 0 0 407.448 2.987 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000793527354 1078199664 /nfs/dbraw/zinc/19/96/64/1078199664.db2.gz RSOHNVSEDZXEKD-BBRMVZONSA-N 0 0 419.482 2.648 20 5 HFBDRN CN1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000793503928 1078204712 /nfs/dbraw/zinc/20/47/12/1078204712.db2.gz HPPRKYCKMKKNNW-LJQANCHMSA-N 0 0 412.446 2.821 20 5 HFBDRN CC1(C)CN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C[C@H](C(F)(F)F)O1 ZINC000793673640 1078249829 /nfs/dbraw/zinc/24/98/29/1078249829.db2.gz FQDPRZMTQATIFO-CQSZACIVSA-N 0 0 402.373 2.836 20 5 HFBDRN COCN1C(=O)CCc2cc(NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)ccc21 ZINC000793911222 1078335720 /nfs/dbraw/zinc/33/57/20/1078335720.db2.gz KIJJNJQFYYZXJR-UHFFFAOYSA-N 0 0 421.413 2.916 20 5 HFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000794038338 1078363640 /nfs/dbraw/zinc/36/36/40/1078363640.db2.gz MYLJRSNYDRAKSD-INIZCTEOSA-N 0 0 412.446 2.956 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)/C=C/c3cncc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000794043388 1078364770 /nfs/dbraw/zinc/36/47/70/1078364770.db2.gz NBOOSQSQSJHJPQ-ZZXKWVIFSA-N 0 0 400.410 2.890 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)Cc3sc(=S)[nH]c3C)CC2)ccc1[N+](=O)[O-] ZINC000794046569 1078365296 /nfs/dbraw/zinc/36/52/96/1078365296.db2.gz ZIMHBILIRFWOAX-UHFFFAOYSA-N 0 0 422.532 2.938 20 5 HFBDRN O=C(Nc1ccc(F)c(N2CCOC2=O)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000794111891 1078373541 /nfs/dbraw/zinc/37/35/41/1078373541.db2.gz TYMKFMZMUFZYHL-KRWDZBQOSA-N 0 0 414.349 2.822 20 5 HFBDRN O=C(CCc1cncnc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000794279026 1078399352 /nfs/dbraw/zinc/39/93/52/1078399352.db2.gz NQXKELFEMMNEMR-UHFFFAOYSA-N 0 0 409.368 2.685 20 5 HFBDRN Cn1ccc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)n1 ZINC000794279149 1078400017 /nfs/dbraw/zinc/40/00/17/1078400017.db2.gz PQAMQKPFVOPHLP-UHFFFAOYSA-N 0 0 411.384 2.629 20 5 HFBDRN CC(C)Oc1ccc(NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1C(N)=O ZINC000794353750 1078423102 /nfs/dbraw/zinc/42/31/02/1078423102.db2.gz LKIUVNLQKHBMPG-UHFFFAOYSA-N 0 0 401.404 2.738 20 5 HFBDRN COc1cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c(OC)c(C)c1OC ZINC000794391329 1078434824 /nfs/dbraw/zinc/43/48/24/1078434824.db2.gz QNECAYQKJCXKSY-UHFFFAOYSA-N 0 0 400.391 2.917 20 5 HFBDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000804381804 1078441209 /nfs/dbraw/zinc/44/12/09/1078441209.db2.gz RGALJTQVQUHMQO-UHFFFAOYSA-N 0 0 400.800 2.547 20 5 HFBDRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1 ZINC000804405526 1078456529 /nfs/dbraw/zinc/45/65/29/1078456529.db2.gz NBZGQQYQECKWGJ-ZDUSSCGKSA-N 0 0 419.482 2.621 20 5 HFBDRN Cc1csc([C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C(F)(F)F)n1 ZINC001129452213 1078458673 /nfs/dbraw/zinc/45/86/73/1078458673.db2.gz JGLQOOALXGGNMA-GFCCVEGCSA-N 0 0 412.353 2.974 20 5 HFBDRN Cc1csc([C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(F)(F)F)n1 ZINC001129453044 1078459164 /nfs/dbraw/zinc/45/91/64/1078459164.db2.gz YGRCYRUJTGTFGA-LBPRGKRZSA-N 0 0 412.353 2.974 20 5 HFBDRN CC1(C)Cc2cccc(C(=O)N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)c2O1 ZINC001129439517 1078466170 /nfs/dbraw/zinc/46/61/70/1078466170.db2.gz BZBYLXSJQSHEJJ-UHFFFAOYSA-N 0 0 409.442 2.907 20 5 HFBDRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000804668992 1078501709 /nfs/dbraw/zinc/50/17/09/1078501709.db2.gz PRMAWYHDIIQBPK-HIFRSBDPSA-N 0 0 406.439 2.559 20 5 HFBDRN CCc1cc(OCC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)ccc1Cl ZINC001129495757 1078514606 /nfs/dbraw/zinc/51/46/06/1078514606.db2.gz JYQJUYVAGPEECT-UHFFFAOYSA-N 0 0 404.854 2.933 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000804443029 1078508473 /nfs/dbraw/zinc/50/84/73/1078508473.db2.gz ATBGBDMUNXNSJJ-RDJZCZTQSA-N 0 0 402.495 2.614 20 5 HFBDRN O=C(N[C@H](C1CC1)C1CCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001129493134 1078512378 /nfs/dbraw/zinc/51/23/78/1078512378.db2.gz HMCCSNUGEKBXOY-OALUTQOASA-N 0 0 421.519 2.833 20 5 HFBDRN O=C(c1cc(-c2c(F)cccc2F)no1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129495779 1078515095 /nfs/dbraw/zinc/51/50/95/1078515095.db2.gz LESICDYTWKPZOX-UHFFFAOYSA-N 0 0 415.356 2.885 20 5 HFBDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129495917 1078515518 /nfs/dbraw/zinc/51/55/18/1078515518.db2.gz QSOQEEQSJRYQQQ-UHFFFAOYSA-N 0 0 420.473 2.684 20 5 HFBDRN O=C(c1ccc2nc(C(F)(F)F)cn2c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129496254 1078516300 /nfs/dbraw/zinc/51/63/00/1078516300.db2.gz ZIPYALNCPJJQFJ-UHFFFAOYSA-N 0 0 420.351 2.619 20 5 HFBDRN O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CCC[C@H](N2CCCC2=O)CC1 ZINC001129830524 1078524169 /nfs/dbraw/zinc/52/41/69/1078524169.db2.gz PESNVVPVDQDWEW-AWEZNQCLSA-N 0 0 415.425 2.537 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1Cl ZINC001129531444 1078523093 /nfs/dbraw/zinc/52/30/93/1078523093.db2.gz GHKYHDLLTUTALU-GFCCVEGCSA-N 0 0 413.858 2.922 20 5 HFBDRN CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001129531509 1078523104 /nfs/dbraw/zinc/52/31/04/1078523104.db2.gz HQDXTFHBFOXJCC-CQSZACIVSA-N 0 0 413.858 2.543 20 5 HFBDRN COc1ccc(C(=O)N2CCC(Nc3ccc(N)cc3[N+](=O)[O-])CC2)cc1OC ZINC000804463631 1078527472 /nfs/dbraw/zinc/52/74/72/1078527472.db2.gz HCWWLBXZJPLUMP-UHFFFAOYSA-N 0 0 400.435 2.911 20 5 HFBDRN CCS(=O)(=O)CCN(C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000760041571 1078533440 /nfs/dbraw/zinc/53/34/40/1078533440.db2.gz UTFWEMMNQDJMIQ-UHFFFAOYSA-N 0 0 413.677 2.517 20 5 HFBDRN Cc1ccc(N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804693838 1078534747 /nfs/dbraw/zinc/53/47/47/1078534747.db2.gz ZPAPRXLPFUROEY-WDEREUQCSA-N 0 0 406.302 2.796 20 5 HFBDRN CN(C)c1ccc(N2CCC(Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)CC2)cc1 ZINC000804506327 1078541026 /nfs/dbraw/zinc/54/10/26/1078541026.db2.gz SQKZXDDZNVGJHJ-UHFFFAOYSA-N 0 0 424.505 2.932 20 5 HFBDRN CCOc1cc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)c([N+](=O)[O-])cc1OC ZINC001129556824 1078546792 /nfs/dbraw/zinc/54/67/92/1078546792.db2.gz ZSJJYSPBAMZNMF-UHFFFAOYSA-N 0 0 405.338 2.838 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC000804491595 1078549005 /nfs/dbraw/zinc/54/90/05/1078549005.db2.gz OUZKLMLDVRLYKP-CYBMUJFWSA-N 0 0 423.809 2.655 20 5 HFBDRN CCOC(=O)c1cnc(N2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)s1 ZINC000804520816 1078561331 /nfs/dbraw/zinc/56/13/31/1078561331.db2.gz KQPFXCKNPHZXPR-UHFFFAOYSA-N 0 0 404.448 2.757 20 5 HFBDRN COC(=O)CNC(=O)c1ccc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000804704279 1078570036 /nfs/dbraw/zinc/57/00/36/1078570036.db2.gz FZJSLUHAESQBPT-XJKSGUPXSA-N 0 0 416.261 2.518 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000804553255 1078578879 /nfs/dbraw/zinc/57/88/79/1078578879.db2.gz MWLYMMZPTAONHJ-CXAGYDPISA-N 0 0 423.466 2.808 20 5 HFBDRN CCc1c(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cnn1-c1ccccc1 ZINC001129609812 1078580072 /nfs/dbraw/zinc/58/00/72/1078580072.db2.gz COTODHABUZRELZ-UHFFFAOYSA-N 0 0 406.446 2.700 20 5 HFBDRN CCC[C@]1(NC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CCOC1 ZINC000804536045 1078583047 /nfs/dbraw/zinc/58/30/47/1078583047.db2.gz RKPDUOPFXDWMKF-INIZCTEOSA-N 0 0 400.273 2.869 20 5 HFBDRN CO[C@@H](C)c1noc(CN2CCCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)n1 ZINC000804537324 1078583600 /nfs/dbraw/zinc/58/36/00/1078583600.db2.gz RAAPMWALHUQBGL-AWEZNQCLSA-N 0 0 403.439 2.600 20 5 HFBDRN C=COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC001129587047 1078584992 /nfs/dbraw/zinc/58/49/92/1078584992.db2.gz HESBPCOZWQFINZ-GOSISDBHSA-N 0 0 417.443 2.909 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000804566330 1078601093 /nfs/dbraw/zinc/60/10/93/1078601093.db2.gz OXNSKYJMAKGKDR-LBPRGKRZSA-N 0 0 401.379 2.684 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001129622838 1078597602 /nfs/dbraw/zinc/59/76/02/1078597602.db2.gz AUYLBXFSKVRTFZ-MAUKXSAKSA-N 0 0 403.479 2.829 20 5 HFBDRN Cc1cc(C(=O)NCCCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000804590886 1078626409 /nfs/dbraw/zinc/62/64/09/1078626409.db2.gz QNTFGZLXXGGSDU-UHFFFAOYSA-N 0 0 400.391 2.670 20 5 HFBDRN CCN(CC)C(=O)[C@@H](Cc1ccccc1)Nc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000804580279 1078637664 /nfs/dbraw/zinc/63/76/64/1078637664.db2.gz YGAGLCAGDLDIGJ-QGZVFWFLSA-N 0 0 414.462 2.976 20 5 HFBDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804797651 1078629990 /nfs/dbraw/zinc/62/99/90/1078629990.db2.gz MUMSPTUWWFMONJ-IOJWWUGISA-N 0 0 406.382 2.748 20 5 HFBDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(N)=O)cc1OC ZINC001129673247 1078631326 /nfs/dbraw/zinc/63/13/26/1078631326.db2.gz MSDATYRWIZPXBA-UHFFFAOYSA-N 0 0 405.432 2.693 20 5 HFBDRN COC[C@@]1(CNC(=O)c2cccc(OC)c2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804788425 1078644199 /nfs/dbraw/zinc/64/41/99/1078644199.db2.gz MZECQHQZMXTLEM-FQEVSTJZSA-N 0 0 423.466 2.749 20 5 HFBDRN O=C(c1cc(Cl)c[nH]1)N1CCC(Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000804819618 1078660709 /nfs/dbraw/zinc/66/07/09/1078660709.db2.gz BSTAVRPEHFSMNN-UHFFFAOYSA-N 0 0 419.825 2.624 20 5 HFBDRN NC(=O)[C@@]1(c2ccccc2)CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC001129736548 1078683497 /nfs/dbraw/zinc/68/34/97/1078683497.db2.gz OYMFSWQTVPUACD-IBGZPJMESA-N 0 0 405.813 2.585 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000804631145 1078685904 /nfs/dbraw/zinc/68/59/04/1078685904.db2.gz KRAWUCJSGWRTGI-GJZGRUSLSA-N 0 0 411.842 2.758 20 5 HFBDRN Cc1c(C(=O)NCc2ccc(C[S@](C)=O)cc2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000804862114 1078687992 /nfs/dbraw/zinc/68/79/92/1078687992.db2.gz CUKJOSYZKXWDRO-NDEPHWFRSA-N 0 0 405.432 2.928 20 5 HFBDRN O=C(N[C@H]1CCN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001129752017 1078692172 /nfs/dbraw/zinc/69/21/72/1078692172.db2.gz OGZINNJWYMBMBK-AWEZNQCLSA-N 0 0 409.320 2.871 20 5 HFBDRN O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001129752019 1078692198 /nfs/dbraw/zinc/69/21/98/1078692198.db2.gz OGZINNJWYMBMBK-CQSZACIVSA-N 0 0 409.320 2.871 20 5 HFBDRN CCN1C(=O)N=NC1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000804848426 1078718168 /nfs/dbraw/zinc/71/81/68/1078718168.db2.gz RGKSDJUKJHYWOS-UHFFFAOYSA-N 0 0 409.830 2.736 20 5 HFBDRN C[C@H](C(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000804634568 1078713093 /nfs/dbraw/zinc/71/30/93/1078713093.db2.gz QMUJVPGPCSKXMS-QILLFSRXSA-N 0 0 405.451 2.595 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000804634531 1078715350 /nfs/dbraw/zinc/71/53/50/1078715350.db2.gz WXSVISLFAAOERQ-DZGCQCFKSA-N 0 0 416.434 2.586 20 5 HFBDRN NC(=O)[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC001129744764 1078721144 /nfs/dbraw/zinc/72/11/44/1078721144.db2.gz DVDPALUESJZZFX-DLBZAZTESA-N 0 0 401.850 2.908 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC001129749970 1078729843 /nfs/dbraw/zinc/72/98/43/1078729843.db2.gz GJIZGGDAKALDHU-OAHLLOKOSA-N 0 0 415.475 2.553 20 5 HFBDRN O=C1c2ccc(Br)cc2S(=O)(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000804922342 1078743935 /nfs/dbraw/zinc/74/39/35/1078743935.db2.gz XYGLATPZGGDEOR-UHFFFAOYSA-N 0 0 415.196 2.841 20 5 HFBDRN Cc1noc([C@@H]2CCCN2C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000804904605 1078759280 /nfs/dbraw/zinc/75/92/80/1078759280.db2.gz PVBJSZNSAFKILR-ZDUSSCGKSA-N 0 0 424.255 2.849 20 5 HFBDRN O=C(CCn1cc([N+](=O)[O-])cn1)N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC001130011745 1078761841 /nfs/dbraw/zinc/76/18/41/1078761841.db2.gz XDLYZKVFXGZMRN-AWEZNQCLSA-N 0 0 424.255 2.551 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000804951241 1078779466 /nfs/dbraw/zinc/77/94/66/1078779466.db2.gz NZELIUSFHDNXSO-UHFFFAOYSA-N 0 0 406.294 2.563 20 5 HFBDRN CC(C)NC(=O)OC[C@@H]1CCCCN1C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804925408 1078781077 /nfs/dbraw/zinc/78/10/77/1078781077.db2.gz WZWDQCRXEVMIFY-LBPRGKRZSA-N 0 0 407.452 2.729 20 5 HFBDRN CCc1ccc(OS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)c([N+](=O)[O-])c1 ZINC000805005768 1078850211 /nfs/dbraw/zinc/85/02/11/1078850211.db2.gz UASNRVJXLNMZDS-UHFFFAOYSA-N 0 0 421.399 2.921 20 5 HFBDRN O=C(NC[C@@H](O)c1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000747225233 1078846531 /nfs/dbraw/zinc/84/65/31/1078846531.db2.gz JBLPYCQLQOYNIX-CQSZACIVSA-N 0 0 415.280 2.865 20 5 HFBDRN CC(=O)Nc1ncc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000805009144 1078854214 /nfs/dbraw/zinc/85/42/14/1078854214.db2.gz XVMIWRQFMUWUFT-UHFFFAOYSA-N 0 0 422.238 2.540 20 5 HFBDRN O=C(NCc1ccc2c(c1)OC(F)(F)O2)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001130067230 1078871057 /nfs/dbraw/zinc/87/10/57/1078871057.db2.gz KFONXQZVPMGAGG-UHFFFAOYSA-N 0 0 421.356 2.683 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000805118108 1078901611 /nfs/dbraw/zinc/90/16/11/1078901611.db2.gz ZJOWVZKEVIGAKE-INIZCTEOSA-N 0 0 413.496 2.837 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](CO)c1ccc(Cl)cc1 ZINC000805139659 1078936114 /nfs/dbraw/zinc/93/61/14/1078936114.db2.gz JTAXLPDLLKLCKC-NSHDSACASA-N 0 0 405.259 2.956 20 5 HFBDRN Cc1cc(S(=O)(=O)NC[C@H](CO)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1F ZINC000805141882 1078939477 /nfs/dbraw/zinc/93/94/77/1078939477.db2.gz MOJKZYDEWUWTKU-GFCCVEGCSA-N 0 0 402.831 2.750 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2nccc(C(F)F)n2)ccc1Br ZINC000805149753 1078946217 /nfs/dbraw/zinc/94/62/17/1078946217.db2.gz DCHHZEQOZFZGKI-UHFFFAOYSA-N 0 0 423.195 2.563 20 5 HFBDRN COc1cc(C(=O)NCC(F)(F)Br)c([N+](=O)[O-])cc1OC(F)F ZINC000805235920 1078978246 /nfs/dbraw/zinc/97/82/46/1078978246.db2.gz WKUHZVUTGUKCTN-UHFFFAOYSA-N 0 0 405.098 2.922 20 5 HFBDRN CNC(=O)[C@H](CNC(=O)CSc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1C ZINC001130130691 1078984721 /nfs/dbraw/zinc/98/47/21/1078984721.db2.gz GGDHESHMMGLHGZ-HNNXBMFYSA-N 0 0 419.478 2.856 20 5 HFBDRN Cn1ncc(CNC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n1 ZINC000805205018 1078986155 /nfs/dbraw/zinc/98/61/55/1078986155.db2.gz BQUUYILIUXHFQE-UHFFFAOYSA-N 0 0 400.826 2.919 20 5 HFBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 ZINC000805257300 1079000733 /nfs/dbraw/zinc/00/07/33/1079000733.db2.gz XJMOMKJYVQJBQM-XKJZPFPASA-N 0 0 407.426 2.644 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000805288318 1079012864 /nfs/dbraw/zinc/01/28/64/1079012864.db2.gz LKDLAHYYJMFZBD-ZDUSSCGKSA-N 0 0 410.446 2.883 20 5 HFBDRN CSc1ccc(OCCOC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1 ZINC000805328787 1079020764 /nfs/dbraw/zinc/02/07/64/1079020764.db2.gz HKIFGXWIWWBWOF-UHFFFAOYSA-N 0 0 411.457 2.956 20 5 HFBDRN COc1ccc(C(=O)NCC(=O)O[C@@H](C)c2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000805332267 1079021986 /nfs/dbraw/zinc/02/19/86/1079021986.db2.gz PGLUTNTVQHHUAK-AWEZNQCLSA-N 0 0 424.413 2.823 20 5 HFBDRN Cc1cc(=O)oc2cc(N(C)C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)ccc12 ZINC000805345868 1079027981 /nfs/dbraw/zinc/02/79/81/1079027981.db2.gz OOZQQFKXEAFXNK-UHFFFAOYSA-N 0 0 405.370 2.867 20 5 HFBDRN CSc1ccc(C(=O)c2ccccc2C(=O)N(C)CCNC(C)=O)cc1[N+](=O)[O-] ZINC001130170440 1079051381 /nfs/dbraw/zinc/05/13/81/1079051381.db2.gz AEMOQHBPHAQSMS-UHFFFAOYSA-N 0 0 415.471 2.756 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805427195 1079058367 /nfs/dbraw/zinc/05/83/67/1079058367.db2.gz QPPRVOZNOZELOE-VHSXEESVSA-N 0 0 401.799 2.716 20 5 HFBDRN CSc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cc1 ZINC000805426162 1079058386 /nfs/dbraw/zinc/05/83/86/1079058386.db2.gz KAUZVLHAJMVEEZ-UHFFFAOYSA-N 0 0 411.457 2.956 20 5 HFBDRN COc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC001130192378 1079060870 /nfs/dbraw/zinc/06/08/70/1079060870.db2.gz VBKIFCNQBRHRCX-HXUWFJFHSA-N 0 0 423.469 2.722 20 5 HFBDRN COc1cccc(C(=O)N(CCC(=O)OC(C)(C)C)C2CCOCC2)c1[N+](=O)[O-] ZINC001130199570 1079069388 /nfs/dbraw/zinc/06/93/88/1079069388.db2.gz JNKVHBJUYMHZFE-UHFFFAOYSA-N 0 0 408.451 2.956 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2n[nH]nc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000805550881 1079137370 /nfs/dbraw/zinc/13/73/70/1079137370.db2.gz BCFVMBDMNYPHFN-LLVKDONJSA-N 0 0 411.374 2.573 20 5 HFBDRN O=C(N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001130263123 1079156961 /nfs/dbraw/zinc/15/69/61/1079156961.db2.gz FKTFUWSKMFYUHO-GWCFXTLKSA-N 0 0 404.341 2.986 20 5 HFBDRN CN(CC(=O)N[C@H](C1CCC1)C1CCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001130296078 1079186485 /nfs/dbraw/zinc/18/64/85/1079186485.db2.gz CUTOKEKRLYVKJF-IBGZPJMESA-N 0 0 409.508 2.690 20 5 HFBDRN C[C@H](OC(=O)c1ccnc2c1ncn2C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000805670966 1079195644 /nfs/dbraw/zinc/19/56/44/1079195644.db2.gz KTVZHRPADJPZFB-VIFPVBQESA-N 0 0 403.782 2.714 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@](C(=O)OCCn2ccc([N+](=O)[O-])n2)(C(F)(F)F)C1 ZINC000805649573 1079201686 /nfs/dbraw/zinc/20/16/86/1079201686.db2.gz STUJTQIQRJTAHL-HNNXBMFYSA-N 0 0 422.360 2.524 20 5 HFBDRN C[C@@H](OCC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1nccn1C ZINC000805686752 1079218352 /nfs/dbraw/zinc/21/83/52/1079218352.db2.gz OAWLIOKZUSZEPE-MNOVXSKESA-N 0 0 410.814 2.630 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CC[C@H](Oc2ccccc2)C1 ZINC001130363385 1079228742 /nfs/dbraw/zinc/22/87/42/1079228742.db2.gz LEGVMJCIXLPJLT-KRWDZBQOSA-N 0 0 411.414 2.963 20 5 HFBDRN COC(OC)[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1 ZINC001130353100 1079238496 /nfs/dbraw/zinc/23/84/96/1079238496.db2.gz PXWNPJZNVWCIIK-SFHVURJKSA-N 0 0 402.403 2.846 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000805774426 1079247169 /nfs/dbraw/zinc/24/71/69/1079247169.db2.gz KBLMYYMVSZDTGF-OAHLLOKOSA-N 0 0 408.455 2.533 20 5 HFBDRN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2cc(Cl)nnc2C1 ZINC001130370536 1079269892 /nfs/dbraw/zinc/26/98/92/1079269892.db2.gz ZDGKSUANDFAOGR-UHFFFAOYSA-N 0 0 401.854 2.840 20 5 HFBDRN CC(C)(C)OC(=O)Cn1cnc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC001130402907 1079303523 /nfs/dbraw/zinc/30/35/23/1079303523.db2.gz SISDJJMSEIVUIW-UHFFFAOYSA-N 0 0 415.328 2.799 20 5 HFBDRN O=C(O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)c1cccc(CN2CCOCC2)c1 ZINC000805896981 1079325863 /nfs/dbraw/zinc/32/58/63/1079325863.db2.gz NARBFJVYFOSJHJ-RBUKOAKNSA-N 0 0 414.462 2.964 20 5 HFBDRN O=C(OCc1cccnc1Br)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000805935002 1079362684 /nfs/dbraw/zinc/36/26/84/1079362684.db2.gz OOAUSHJPPBANDB-UHFFFAOYSA-N 0 0 422.235 2.946 20 5 HFBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)O[C@@H]1CCOc2c(F)cc(F)cc21 ZINC000806010697 1079385268 /nfs/dbraw/zinc/38/52/68/1079385268.db2.gz ZRCFZFJVHZAVDY-MRXNPFEDSA-N 0 0 421.356 2.739 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]3(CCCOC3)C2)cc1Br ZINC000747290501 1079389996 /nfs/dbraw/zinc/38/99/96/1079389996.db2.gz KIALVHUXIOPECP-HNNXBMFYSA-N 0 0 419.297 2.939 20 5 HFBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)OCc1cnc2c(F)cccc2c1 ZINC000806085881 1079419560 /nfs/dbraw/zinc/41/95/60/1079419560.db2.gz YCILHDHBDONWMA-UHFFFAOYSA-N 0 0 412.377 2.825 20 5 HFBDRN C[C@H]1CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC2(CCC2)O1 ZINC001130507218 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C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2I)C[C@H](C2CC2)O1 ZINC000791843099 1077582231 /nfs/dbraw/zinc/58/22/31/1077582231.db2.gz ZSIQUBIEVVXLNV-YMTOWFKASA-N 0 0 416.215 2.839 20 5 HFBDRN O=C(CCOCC(F)F)Oc1cc([N+](=O)[O-])ccc1I ZINC000791886525 1077586022 /nfs/dbraw/zinc/58/60/22/1077586022.db2.gz JMOCSONWCYBZLW-UHFFFAOYSA-N 0 0 401.103 2.777 20 5 HFBDRN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791866169 1077591935 /nfs/dbraw/zinc/59/19/35/1077591935.db2.gz UQQGCVQQKBEMFK-AWEZNQCLSA-N 0 0 411.436 2.884 20 5 HFBDRN COc1cc(C(=O)OC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc([N+](=O)[O-])c1C ZINC000791873714 1077594608 /nfs/dbraw/zinc/59/46/08/1077594608.db2.gz KBMCRTKQEJFRCE-AWEZNQCLSA-N 0 0 410.423 2.705 20 5 HFBDRN C[C@]12CCN(CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1C2(Cl)Cl ZINC000789478649 1077608599 /nfs/dbraw/zinc/60/85/99/1077608599.db2.gz KDWBQTCIVCKUTJ-CJNGLKHVSA-N 0 0 413.261 2.837 20 5 HFBDRN 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ZINC000746832501 1077647502 /nfs/dbraw/zinc/64/75/02/1077647502.db2.gz JEAUXMJAITYCRR-UHFFFAOYSA-N 0 0 412.475 2.974 20 5 HFBDRN O=C(OCC[C@H]1CNC(=O)C1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000792013386 1077650165 /nfs/dbraw/zinc/65/01/65/1077650165.db2.gz WKLDOOWWZDIZDW-SECBINFHSA-N 0 0 413.217 2.770 20 5 HFBDRN C[C@H](NC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000792063635 1077670539 /nfs/dbraw/zinc/67/05/39/1077670539.db2.gz NGVRWLGIHILVBI-HNNXBMFYSA-N 0 0 406.483 2.715 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NC(=O)C(=O)Nc3cccc([N+](=O)[O-])c3C)C2=O)c(C)c1 ZINC000789624106 1077694543 /nfs/dbraw/zinc/69/45/43/1077694543.db2.gz DNTBNAODGPQBJA-KRWDZBQOSA-N 0 0 424.457 2.689 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789591398 1077700852 /nfs/dbraw/zinc/70/08/52/1077700852.db2.gz LOWRWAOKEWIBTH-CYBMUJFWSA-N 0 0 409.399 2.901 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)cc1[N+](=O)[O-] ZINC000792116657 1077702875 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407.448 2.504 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000789701670 1077744630 /nfs/dbraw/zinc/74/46/30/1077744630.db2.gz KOXRYRWESMJSNC-CYBMUJFWSA-N 0 0 421.207 2.893 20 5 HFBDRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000792284805 1077775022 /nfs/dbraw/zinc/77/50/22/1077775022.db2.gz JZJGNSGRRDATIH-QGZVFWFLSA-N 0 0 411.374 2.620 20 5 HFBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000792298290 1077794953 /nfs/dbraw/zinc/79/49/53/1077794953.db2.gz FVODDGQKTSIKRA-UHFFFAOYSA-N 0 0 418.494 2.735 20 5 HFBDRN CC(C)n1ncc2c1C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC2 ZINC000792317597 1077804914 /nfs/dbraw/zinc/80/49/14/1077804914.db2.gz NHHSYELJARCMQO-LBPRGKRZSA-N 0 0 405.842 2.638 20 5 HFBDRN CC(=O)OC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000792350021 1077811113 /nfs/dbraw/zinc/81/11/13/1077811113.db2.gz FOTLLKKSPLEAKS-JTQLQIEISA-N 0 0 421.431 2.930 20 5 HFBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1nnc(-c2ccccc2Cl)o1 ZINC000789841951 1077817212 /nfs/dbraw/zinc/81/72/12/1077817212.db2.gz UYICTCZKVJCJQO-UHFFFAOYSA-N 0 0 416.777 2.771 20 5 HFBDRN O=C1[C@H](N2CCC(Oc3ccc(F)nc3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000792389056 1077830921 /nfs/dbraw/zinc/83/09/21/1077830921.db2.gz GTTQTWSAUVTMHB-GOSISDBHSA-N 0 0 400.410 2.778 20 5 HFBDRN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000789850638 1077838565 /nfs/dbraw/zinc/83/85/65/1077838565.db2.gz MKDGNLYFALMGRE-OAHLLOKOSA-N 0 0 417.374 2.854 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)c2nc3cccnc3s2)c([N+](=O)[O-])c1 ZINC000792383988 1077847298 /nfs/dbraw/zinc/84/72/98/1077847298.db2.gz JVSHOCPTSWSPFU-UHFFFAOYSA-N 0 0 402.388 2.794 20 5 HFBDRN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1CCN(CC(F)(F)F)CC1 ZINC000792443536 1077851980 /nfs/dbraw/zinc/85/19/80/1077851980.db2.gz FJCBMAQQHZWRTP-LLVKDONJSA-N 0 0 407.364 2.892 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCc1ncnn1CC(F)F 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BNJXWARNAGYOOP-UHFFFAOYSA-N 0 0 417.330 2.622 20 5 HFBDRN COC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(C)c([N+](=O)[O-])c1 ZINC000792631828 1077942285 /nfs/dbraw/zinc/94/22/85/1077942285.db2.gz NALJQPCSEUUXDR-UHFFFAOYSA-N 0 0 419.346 2.624 20 5 HFBDRN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Oc1ccccc1[N+](=O)[O-] ZINC000790115340 1077943277 /nfs/dbraw/zinc/94/32/77/1077943277.db2.gz SNWDEWUGCRTFSJ-UHFFFAOYSA-N 0 0 414.823 2.726 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1cccc(N2C(=O)CCCC2=O)c1 ZINC000792624730 1077945450 /nfs/dbraw/zinc/94/54/50/1077945450.db2.gz ZQWRWHOQABZZFU-UHFFFAOYSA-N 0 0 407.386 2.627 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCO[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170334365 1077946540 /nfs/dbraw/zinc/94/65/40/1077946540.db2.gz CPIFAFQKODOGMA-KYNGSXCRSA-N 0 0 421.494 2.855 20 5 HFBDRN C[C@@H](OC(=O)C(C)(C)S(=O)(=O)C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000792628461 1077947856 /nfs/dbraw/zinc/94/78/56/1077947856.db2.gz AYNUYCDVYXZQFZ-SNVBAGLBSA-N 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BRFYWWQKMCNZET-QGZVFWFLSA-N 0 0 419.441 2.559 20 5 HFBDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000805097718 1078885068 /nfs/dbraw/zinc/88/50/68/1078885068.db2.gz KSBPZPVDQGUNOS-BBRMVZONSA-N 0 0 408.455 2.671 20 5 HFBDRN COCC1(CCNC(=O)c2ccc(I)c([N+](=O)[O-])c2)CC1 ZINC001130082333 1078891575 /nfs/dbraw/zinc/89/15/75/1078891575.db2.gz IROHUSDLIZDJPS-UHFFFAOYSA-N 0 0 404.204 2.746 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000805107548 1078891967 /nfs/dbraw/zinc/89/19/67/1078891967.db2.gz XETUFFXERIKDRO-OAHLLOKOSA-N 0 0 413.496 2.843 20 5 HFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)c1ccc2c(C)cc(=O)oc2c1 ZINC000805111251 1078896413 /nfs/dbraw/zinc/89/64/13/1078896413.db2.gz IAXMJWQUOVYGLB-UHFFFAOYSA-N 0 0 404.400 2.843 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000805117524 1078901619 /nfs/dbraw/zinc/90/16/19/1078901619.db2.gz QPFXLDVGHKXOIP-GFCCVEGCSA-N 0 0 419.887 2.928 20 5 HFBDRN 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Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC(F)(F)Br)ccc1[N+](=O)[O-] ZINC000805248240 1078983410 /nfs/dbraw/zinc/98/34/10/1078983410.db2.gz YHCPQXPNJUAFDS-GFCCVEGCSA-N 0 0 420.210 2.612 20 5 HFBDRN COCC(C)(C)N1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001130117726 1078988163 /nfs/dbraw/zinc/98/81/63/1078988163.db2.gz XHFSNKVXRSZZAN-UHFFFAOYSA-N 0 0 404.492 2.901 20 5 HFBDRN C/C(=C/C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000805321467 1079018489 /nfs/dbraw/zinc/01/84/89/1079018489.db2.gz VHWZIHMTRASQAE-REZBVGGZSA-N 0 0 415.471 2.578 20 5 HFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000805355922 1079030680 /nfs/dbraw/zinc/03/06/80/1079030680.db2.gz NAKJWPNURYQJEP-UHFFFAOYSA-N 0 0 411.457 2.956 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000805402072 1079042186 /nfs/dbraw/zinc/04/21/86/1079042186.db2.gz AOLDVFAALCLMGK-UHFFFAOYSA-N 0 0 405.384 2.980 20 5 HFBDRN COCCOCCOCCOCCNc1cc(OC(C)C)c([N+](=O)[O-])cc1C ZINC001170479952 1079042212 /nfs/dbraw/zinc/04/22/12/1079042212.db2.gz WQUBLLXZHGRGDI-UHFFFAOYSA-N 0 0 400.472 2.799 20 5 HFBDRN COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC001130192377 1079060899 /nfs/dbraw/zinc/06/08/99/1079060899.db2.gz VBKIFCNQBRHRCX-FQEVSTJZSA-N 0 0 423.469 2.722 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000805434195 1079062188 /nfs/dbraw/zinc/06/21/88/1079062188.db2.gz SXCSYONLTVTFHU-MRVPVSSYSA-N 0 0 402.197 2.671 20 5 HFBDRN O=Cc1ccc(OCC(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000805449170 1079099341 /nfs/dbraw/zinc/09/93/41/1079099341.db2.gz JBDZKZGWQJUTDF-UHFFFAOYSA-N 0 0 412.276 2.626 20 5 HFBDRN CN1C(=O)N[C@](C)(c2ccc(NC(=O)Cc3c[nH]c4ccc([N+](=O)[O-])cc34)cc2)C1=O ZINC001130225723 1079109138 /nfs/dbraw/zinc/10/91/38/1079109138.db2.gz DRIKVVUUPSBQKK-OAQYLSRUSA-N 0 0 421.413 2.654 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000805520405 1079115900 /nfs/dbraw/zinc/11/59/00/1079115900.db2.gz XYGTXSIDYBFTGD-UHFFFAOYSA-N 0 0 418.427 2.644 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000805541183 1079130630 /nfs/dbraw/zinc/13/06/30/1079130630.db2.gz XIHDAWZAIRJWCB-LURJTMIESA-N 0 0 408.226 2.732 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)OCCOc1ccc(S(C)(=O)=O)cc1 ZINC000805548724 1079136267 /nfs/dbraw/zinc/13/62/67/1079136267.db2.gz NRJVAVQDOVRLDI-UHFFFAOYSA-N 0 0 409.416 2.633 20 5 HFBDRN C[C@H](OC(=O)[C@@](C)(O)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000805577543 1079159249 /nfs/dbraw/zinc/15/92/49/1079159249.db2.gz CSYUYFGEZJIZNB-YPMLDQLKSA-N 0 0 405.432 2.750 20 5 HFBDRN C[C@@H](OC(=O)[C@](C)(O)C1CC1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000805577539 1079159266 /nfs/dbraw/zinc/15/92/66/1079159266.db2.gz CSYUYFGEZJIZNB-MLCYQJTMSA-N 0 0 405.432 2.750 20 5 HFBDRN CC(C)(C)OC(=O)C1(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001130296476 1079187231 /nfs/dbraw/zinc/18/72/31/1079187231.db2.gz OYWJVJTZBMFRHR-DLBZAZTESA-N 0 0 404.463 2.953 20 5 HFBDRN C[C@H](OC(=O)C(=O)c1cccn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000805653029 1079204455 /nfs/dbraw/zinc/20/44/55/1079204455.db2.gz ZQZHACIEFCWPTA-VIFPVBQESA-N 0 0 413.308 2.705 20 5 HFBDRN CN(C(=O)COC(=O)c1ncsc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000805708880 1079213481 /nfs/dbraw/zinc/21/34/81/1079213481.db2.gz BYLSUYCBKRXJHG-UHFFFAOYSA-N 0 0 400.210 2.634 20 5 HFBDRN C[C@@H](OCC(=O)O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccn1C ZINC000805687901 1079219355 /nfs/dbraw/zinc/21/93/55/1079219355.db2.gz FVDJSLRVZNVFDF-VXGBXAGGSA-N 0 0 401.379 2.760 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805861317 1079308367 /nfs/dbraw/zinc/30/83/67/1079308367.db2.gz PNASFVMCRSSAKG-UHFFFAOYSA-N 0 0 417.487 2.620 20 5 HFBDRN Cc1c(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001130408175 1079308959 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MZNBDBHGVUVFIW-LLVKDONJSA-N 0 0 424.207 2.693 20 5 HFBDRN O=C(OCc1conc1C(F)(F)F)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000805993663 1079369705 /nfs/dbraw/zinc/36/97/05/1079369705.db2.gz YUTUPSJMYFLSKZ-SECBINFHSA-N 0 0 403.269 2.543 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000806001537 1079397739 /nfs/dbraw/zinc/39/77/39/1079397739.db2.gz UDTSKWAZASGBMC-GFCCVEGCSA-N 0 0 420.443 2.671 20 5 HFBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@@H]1CCOc2c(F)cc(F)cc21 ZINC000806009107 1079399923 /nfs/dbraw/zinc/39/99/23/1079399923.db2.gz XWGDLLUMFXELHP-CQSZACIVSA-N 0 0 418.308 2.536 20 5 HFBDRN C[C@H]1[C@H](OC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)CC(=O)N1C ZINC000806066608 1079433172 /nfs/dbraw/zinc/43/31/72/1079433172.db2.gz AERBUKYDUILMMH-ISVAXAHUSA-N 0 0 413.217 2.863 20 5 HFBDRN COCC1(CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001130511937 1079437882 /nfs/dbraw/zinc/43/78/82/1079437882.db2.gz YZPWIGSHMZHUDZ-IBGZPJMESA-N 0 0 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402.325 2.989 20 5 HFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000791032095 1077277408 /nfs/dbraw/zinc/27/74/08/1077277408.db2.gz QUSSGHGYZDVOKG-UHFFFAOYSA-N 0 0 407.471 2.582 20 5 HFBDRN CCNS(=O)(=O)c1ccc(F)c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c1 ZINC000746967652 1077281155 /nfs/dbraw/zinc/28/11/55/1077281155.db2.gz HYHJVEQGHZXLMH-UHFFFAOYSA-N 0 0 400.359 2.528 20 5 HFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C[C@@H](C)O2 ZINC000791075389 1077291140 /nfs/dbraw/zinc/29/11/40/1077291140.db2.gz XJGRMVFWRZAUGB-VWKPWSFCSA-N 0 0 403.479 2.994 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c2ccccc2O1 ZINC000791123691 1077293535 /nfs/dbraw/zinc/29/35/35/1077293535.db2.gz QAEBDPRSYLGEMC-INIZCTEOSA-N 0 0 408.769 2.897 20 5 HFBDRN Nc1ccc(C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000791089528 1077296770 /nfs/dbraw/zinc/29/67/70/1077296770.db2.gz LUQCQUYJOJAEPZ-UHFFFAOYSA-N 0 0 418.207 2.920 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746977386 1077297406 /nfs/dbraw/zinc/29/74/06/1077297406.db2.gz AAZKUZJGYUHGHG-UHFFFAOYSA-N 0 0 408.294 2.585 20 5 HFBDRN Nc1ccc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)cc1[N+](=O)[O-] ZINC000791096697 1077299078 /nfs/dbraw/zinc/29/90/78/1077299078.db2.gz LJCRSVGLOHHKKB-UHFFFAOYSA-N 0 0 418.207 2.920 20 5 HFBDRN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746982294 1077308841 /nfs/dbraw/zinc/30/88/41/1077308841.db2.gz PFGZJZKWDKKQSC-KRWDZBQOSA-N 0 0 403.345 2.695 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000791149157 1077309145 /nfs/dbraw/zinc/30/91/45/1077309145.db2.gz SRGFGKBIEXEVAB-GOSISDBHSA-N 0 0 415.402 2.742 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000791163713 1077313713 /nfs/dbraw/zinc/31/37/13/1077313713.db2.gz IHLSOABLEVSYCO-UHFFFAOYSA-N 0 0 403.366 2.584 20 5 HFBDRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)c2cc([N+](=O)[O-])ccc2N)cn1 ZINC000791138335 1077317939 /nfs/dbraw/zinc/31/79/39/1077317939.db2.gz YAHBZIYFMBKPFP-FQEVSTJZSA-N 0 0 409.446 2.769 20 5 HFBDRN CN1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000788849840 1077319555 /nfs/dbraw/zinc/31/95/55/1077319555.db2.gz BFAXVCIJTMXDQC-OAHLLOKOSA-N 0 0 401.467 2.788 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000791197885 1077320726 /nfs/dbraw/zinc/32/07/26/1077320726.db2.gz WVAHXJIHVQEEEX-UHFFFAOYSA-N 0 0 414.437 2.835 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)cc1[N+](=O)[O-] ZINC000791200107 1077321830 /nfs/dbraw/zinc/32/18/30/1077321830.db2.gz ZZNHLYJQNBRLRZ-KRWDZBQOSA-N 0 0 422.482 2.665 20 5 HFBDRN CCO[C@H]1C[C@](O)(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1(C)C ZINC000788869361 1077324766 /nfs/dbraw/zinc/32/47/66/1077324766.db2.gz KANCIMXIUKCRHC-BBRMVZONSA-N 0 0 408.423 2.569 20 5 HFBDRN CC(C)(C)N1C[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1=O ZINC000791233583 1077339221 /nfs/dbraw/zinc/33/92/21/1077339221.db2.gz CJQOXTACAFZBFA-NSHDSACASA-N 0 0 424.295 2.889 20 5 HFBDRN COC(=O)N(C)CCCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791236384 1077340075 /nfs/dbraw/zinc/34/00/75/1077340075.db2.gz WWHKMXKLMONTQA-UHFFFAOYSA-N 0 0 414.256 2.720 20 5 HFBDRN CCC(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)N1CCOCC1 ZINC000791205170 1077343212 /nfs/dbraw/zinc/34/32/12/1077343212.db2.gz OTNNUECMSMQKDU-LJQANCHMSA-N 0 0 410.490 2.667 20 5 HFBDRN CCNC(=O)COc1cccc(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC000791212980 1077346192 /nfs/dbraw/zinc/34/61/92/1077346192.db2.gz UPXJALZUMVXYLF-UHFFFAOYSA-N 0 0 404.398 2.567 20 5 HFBDRN Cn1c(C(=O)OCc2cn(-c3ccccc3Br)nn2)ccc1[N+](=O)[O-] ZINC000791271595 1077354818 /nfs/dbraw/zinc/35/48/18/1077354818.db2.gz VVNVOKVEVXKIOQ-UHFFFAOYSA-N 0 0 406.196 2.634 20 5 HFBDRN C[C@]12CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]1C2(Cl)Cl ZINC000791244789 1077357219 /nfs/dbraw/zinc/35/72/19/1077357219.db2.gz AQVMFPNFWSKSIM-SIVJFFJCSA-N 0 0 416.261 2.835 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])s3)C2=O)c(C)c1 ZINC000788949566 1077358390 /nfs/dbraw/zinc/35/83/90/1077358390.db2.gz PGPSQGWDYZWDCZ-CYBMUJFWSA-N 0 0 409.489 2.665 20 5 HFBDRN Cn1ccnc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000791299881 1077361640 /nfs/dbraw/zinc/36/16/40/1077361640.db2.gz NNMGVPNRURSKOR-MRXNPFEDSA-N 0 0 415.450 2.763 20 5 HFBDRN COC(=O)COc1ccc(CNc2ccc(O[C@H]3CCOC3)cc2)cc1[N+](=O)[O-] ZINC000788961644 1077363773 /nfs/dbraw/zinc/36/37/73/1077363773.db2.gz CPIIGBNDTFGZPW-KRWDZBQOSA-N 0 0 402.403 2.926 20 5 HFBDRN C[C@@H](OC(=O)c1csc(N)n1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000788972728 1077366933 /nfs/dbraw/zinc/36/69/33/1077366933.db2.gz BPEQWEFEUJJMEI-MRVPVSSYSA-N 0 0 419.444 2.941 20 5 HFBDRN CCOc1ccc(NC(=O)COC(=O)c2ccc(Br)nc2)c([N+](=O)[O-])c1 ZINC000746997556 1077367003 /nfs/dbraw/zinc/36/70/03/1077367003.db2.gz NKPWKSRIJDVGNZ-UHFFFAOYSA-N 0 0 424.207 2.947 20 5 HFBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCCOc1ccc(Cl)c(F)c1 ZINC000791282632 1077369066 /nfs/dbraw/zinc/36/90/66/1077369066.db2.gz SJOVACLRHIRGEE-UHFFFAOYSA-N 0 0 424.768 2.735 20 5 HFBDRN C[C@H](C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c1)n1cccn1 ZINC000791322917 1077373434 /nfs/dbraw/zinc/37/34/34/1077373434.db2.gz AWCZTOUUKSMRAC-LLVKDONJSA-N 0 0 412.381 2.965 20 5 HFBDRN C[C@@H]1CN(Cc2csc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)n2)C[C@@H](C)O1 ZINC000791333570 1077377138 /nfs/dbraw/zinc/37/71/38/1077377138.db2.gz YEEHKLITJORKMM-NXEZZACHSA-N 0 0 409.443 2.634 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)CSc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000791309480 1077382186 /nfs/dbraw/zinc/38/21/86/1077382186.db2.gz UTERFOSZDXRLCJ-UHFFFAOYSA-N 0 0 424.500 2.692 20 5 HFBDRN Cc1nn(C)c(C(=O)O[C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)c1[N+](=O)[O-] ZINC000789035736 1077389984 /nfs/dbraw/zinc/38/99/84/1077389984.db2.gz PFFAWKUPFGYGKO-LBPRGKRZSA-N 0 0 413.217 2.906 20 5 HFBDRN COC(=O)[C@H](OC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)c(Cl)c1 ZINC000791355315 1077392073 /nfs/dbraw/zinc/39/20/73/1077392073.db2.gz PRDVZPJLPDVVQF-CQSZACIVSA-N 0 0 402.190 2.946 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000791364518 1077394291 /nfs/dbraw/zinc/39/42/91/1077394291.db2.gz UHLMDFDMMLSDCZ-MRXNPFEDSA-N 0 0 400.410 2.725 20 5 HFBDRN C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(=O)N1CCCC[C@H]1C ZINC000791421831 1077395695 /nfs/dbraw/zinc/39/56/95/1077395695.db2.gz RVVWYEFVLHNGHN-ZJUUUORDSA-N 0 0 424.306 2.969 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c[nH]nc1-c1ccoc1 ZINC000789077916 1077398526 /nfs/dbraw/zinc/39/85/26/1077398526.db2.gz RATJWAPEMUJQHD-SNVBAGLBSA-N 0 0 400.347 2.771 20 5 HFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)O[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000789078716 1077398652 /nfs/dbraw/zinc/39/86/52/1077398652.db2.gz GEDPBSWBCNCPPR-CYBMUJFWSA-N 0 0 411.201 2.841 20 5 HFBDRN CCc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)cc1[N+](=O)[O-] ZINC000747010289 1077398748 /nfs/dbraw/zinc/39/87/48/1077398748.db2.gz FJFFHAUOMVCDIG-ZDUSSCGKSA-N 0 0 414.414 2.806 20 5 HFBDRN CCc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000747010528 1077400058 /nfs/dbraw/zinc/40/00/58/1077400058.db2.gz LTDLAGLXIJTBSQ-GFCCVEGCSA-N 0 0 420.443 2.745 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCc2noc3ccccc32)ccc1Br ZINC000791411022 1077401926 /nfs/dbraw/zinc/40/19/26/1077401926.db2.gz GXWKBSAYZHZZCS-UHFFFAOYSA-N 0 0 412.221 2.977 20 5 HFBDRN C[C@@H](O)[C@](C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000791414113 1077402555 /nfs/dbraw/zinc/40/25/55/1077402555.db2.gz BSKHPSQSMOGAGH-BLVKFPJESA-N 0 0 400.460 2.959 20 5 HFBDRN C[C@H](O)[C@](C)(CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000791414117 1077403009 /nfs/dbraw/zinc/40/30/09/1077403009.db2.gz BSKHPSQSMOGAGH-BUXKBTBVSA-N 0 0 400.460 2.959 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)c(Cl)cc1Cl ZINC000791421176 1077405387 /nfs/dbraw/zinc/40/53/87/1077405387.db2.gz ILPUOSYAARRGRQ-NSHDSACASA-N 0 0 405.259 2.784 20 5 HFBDRN O=C(COC(=O)c1cnnn1-c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000789103502 1077413066 /nfs/dbraw/zinc/41/30/66/1077413066.db2.gz IGAHNNIAXIFJNZ-UHFFFAOYSA-N 0 0 419.756 2.764 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000791481035 1077421384 /nfs/dbraw/zinc/42/13/84/1077421384.db2.gz HBPXJEOFYVESDB-UHFFFAOYSA-N 0 0 418.427 2.612 20 5 HFBDRN COc1cccc(C2=NO[C@H](C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)C2)c1 ZINC000791482859 1077423176 /nfs/dbraw/zinc/42/31/76/1077423176.db2.gz LJKFPPWZPAXTQZ-IBGZPJMESA-N 0 0 413.386 2.896 20 5 HFBDRN Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnn1CC1CCCC1 ZINC000789181389 1077426821 /nfs/dbraw/zinc/42/68/21/1077426821.db2.gz HIGLYCBFWRYFOF-CYBMUJFWSA-N 0 0 401.423 2.869 20 5 HFBDRN Cc1c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nnn1CC1CCCC1 ZINC000789181862 1077426854 /nfs/dbraw/zinc/42/68/54/1077426854.db2.gz FOUUVWAFVSXARK-UHFFFAOYSA-N 0 0 405.386 2.620 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000791487404 1077427727 /nfs/dbraw/zinc/42/77/27/1077427727.db2.gz SEPMLPWUHRZOPV-UHFFFAOYSA-N 0 0 416.434 2.537 20 5 HFBDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000789142881 1077431663 /nfs/dbraw/zinc/43/16/63/1077431663.db2.gz HSKJNWMQYJWRKB-KRWDZBQOSA-N 0 0 416.478 2.500 20 5 HFBDRN C[C@H](OC(=O)c1ccnn1CC(F)F)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000789163682 1077439454 /nfs/dbraw/zinc/43/94/54/1077439454.db2.gz LORWMZABGOBHAX-QMMMGPOBSA-N 0 0 402.741 2.894 20 5 HFBDRN O=C(Cn1cc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cn1)NC1CCCCC1 ZINC000747018583 1077440577 /nfs/dbraw/zinc/44/05/77/1077440577.db2.gz VLYODYMXAPRRBN-UHFFFAOYSA-N 0 0 400.435 2.640 20 5 HFBDRN COc1ccc(CC(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1 ZINC000789174643 1077443920 /nfs/dbraw/zinc/44/39/20/1077443920.db2.gz SBKVPAKERKZVJK-UHFFFAOYSA-N 0 0 413.308 2.742 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000791516199 1077452128 /nfs/dbraw/zinc/45/21/28/1077452128.db2.gz NXQVEHDZYAIUQC-UHFFFAOYSA-N 0 0 400.391 2.864 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(O[C@H]2CCOC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789192797 1077454253 /nfs/dbraw/zinc/45/42/53/1077454253.db2.gz JTJWGTXAUWFLEF-ACJLOTCBSA-N 0 0 400.387 2.947 20 5 HFBDRN CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2cccc(S(C)(=O)=O)c2)c1 ZINC000791548238 1077473212 /nfs/dbraw/zinc/47/32/12/1077473212.db2.gz HCBDAXLLGAZTIH-UHFFFAOYSA-N 0 0 409.441 2.760 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000791550497 1077474826 /nfs/dbraw/zinc/47/48/26/1077474826.db2.gz GCBSPDAEIYPJOV-UHFFFAOYSA-N 0 0 408.432 2.669 20 5 HFBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC[C@@H]1CCCS(=O)(=O)C1 ZINC000791631048 1077519908 /nfs/dbraw/zinc/51/99/08/1077519908.db2.gz XOPSWUROQYNNQE-NSHDSACASA-N 0 0 424.397 2.784 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C2=O)c(C)c1 ZINC000789328876 1077522531 /nfs/dbraw/zinc/52/25/31/1077522531.db2.gz JFGBICJQRUVBOX-OAHLLOKOSA-N 0 0 411.414 2.784 20 5 HFBDRN Cc1ccc(CCC(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000747037446 1077539231 /nfs/dbraw/zinc/53/92/31/1077539231.db2.gz UPYKMIPDICSCKD-UHFFFAOYSA-N 0 0 404.375 2.772 20 5 HFBDRN CC(C)(C)c1csc(NC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000789370363 1077542306 /nfs/dbraw/zinc/54/23/06/1077542306.db2.gz LFSYJKJOPWFRDJ-UHFFFAOYSA-N 0 0 417.491 2.636 20 5 HFBDRN NC(=O)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Br)c1 ZINC000746810466 1077550471 /nfs/dbraw/zinc/55/04/71/1077550471.db2.gz SIMYGYQXQBVVHT-ZDUSSCGKSA-N 0 0 412.627 2.967 20 5 HFBDRN CN(CC(=O)OCc1cccc(C(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000791761889 1077556339 /nfs/dbraw/zinc/55/63/39/1077556339.db2.gz YVROLCXGPBYBMH-UHFFFAOYSA-N 0 0 414.386 2.896 20 5 HFBDRN COc1cc2c(cc1OC)CN(CC(=O)OCc1ncc(C)c([N+](=O)[O-])c1C)CC2 ZINC000789431220 1077558312 /nfs/dbraw/zinc/55/83/12/1077558312.db2.gz IXUYVETZTDKESI-UHFFFAOYSA-N 0 0 415.446 2.725 20 5 HFBDRN CC[C@@]1(c2ccc(OC(=O)c3cc(OC)c(C)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000791822364 1077567675 /nfs/dbraw/zinc/56/76/75/1077567675.db2.gz IHJZNCCMVCFUPW-FQEVSTJZSA-N 0 0 413.386 2.576 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746816844 1077571005 /nfs/dbraw/zinc/57/10/05/1077571005.db2.gz WPBMIWJXMRSYKP-HNNXBMFYSA-N 0 0 406.483 2.746 20 5 HFBDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000789438617 1077572915 /nfs/dbraw/zinc/57/29/15/1077572915.db2.gz RYKMHHGQHPUTLV-GOSISDBHSA-N 0 0 410.430 2.879 20 5 HFBDRN Cc1sc2ncn(CC(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)c(=O)c2c1C ZINC000789442525 1077575252 /nfs/dbraw/zinc/57/52/52/1077575252.db2.gz INJBOEQDVCSUBA-UHFFFAOYSA-N 0 0 402.432 2.738 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H](c2ccccc2F)N2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000789443615 1077575557 /nfs/dbraw/zinc/57/55/57/1077575557.db2.gz QESTXACZLSHNJB-LJQANCHMSA-N 0 0 403.410 2.862 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc(N3CCCS3(=O)=O)cc2C)c(C)c1[N+](=O)[O-] ZINC000789446196 1077576715 /nfs/dbraw/zinc/57/67/15/1077576715.db2.gz IRDDOOVDLIYISZ-UHFFFAOYSA-N 0 0 419.459 2.812 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c(C)c1[N+](=O)[O-] ZINC000789445963 1077577102 /nfs/dbraw/zinc/57/71/02/1077577102.db2.gz ZNXKEXQDDNSHMI-GFCCVEGCSA-N 0 0 405.357 2.981 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791839019 1077580672 /nfs/dbraw/zinc/58/06/72/1077580672.db2.gz QHWFZDQALQOTOD-LLVKDONJSA-N 0 0 421.284 2.710 20 5 HFBDRN O=C(OCCO[C@H]1CCCCO1)c1ccc(I)c([N+](=O)[O-])c1 ZINC000791839990 1077581022 /nfs/dbraw/zinc/58/10/22/1077581022.db2.gz NFSPEQAPTBVROY-ZDUSSCGKSA-N 0 0 421.187 2.899 20 5 HFBDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000791878918 1077584344 /nfs/dbraw/zinc/58/43/44/1077584344.db2.gz MZRQACHWAHZECO-HTQZYQBOSA-N 0 0 405.285 2.687 20 5 HFBDRN COC(=O)COc1ccc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000789485586 1077589874 /nfs/dbraw/zinc/58/98/74/1077589874.db2.gz IGBUQHHRJHUUIS-OAHLLOKOSA-N 0 0 423.466 2.636 20 5 HFBDRN Cc1cccc2c1OCC[C@H]2OC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000789502057 1077597581 /nfs/dbraw/zinc/59/75/81/1077597581.db2.gz UNMWMXFKBKCTFC-QGZVFWFLSA-N 0 0 420.443 2.591 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1I)c1ccnn1C ZINC000791920362 1077611703 /nfs/dbraw/zinc/61/17/03/1077611703.db2.gz AKHFGRNKXZZIGK-MRVPVSSYSA-N 0 0 401.160 2.851 20 5 HFBDRN O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)OCc1ccc(OCC2CC2)cc1 ZINC000791989832 1077626392 /nfs/dbraw/zinc/62/63/92/1077626392.db2.gz DBSIWEORRNVJLS-UHFFFAOYSA-N 0 0 412.398 2.852 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000791996731 1077641371 /nfs/dbraw/zinc/64/13/71/1077641371.db2.gz KWVYGOCURQCUPS-GFCCVEGCSA-N 0 0 409.439 2.741 20 5 HFBDRN O=C(NCc1ccc2ncccc2c1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000792006991 1077646496 /nfs/dbraw/zinc/64/64/96/1077646496.db2.gz PUBJRVALKSMUCA-OAHLLOKOSA-N 0 0 408.389 2.951 20 5 HFBDRN Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000789568835 1077649879 /nfs/dbraw/zinc/64/98/79/1077649879.db2.gz WWGQCUHLQUNSLA-UHFFFAOYSA-N 0 0 418.837 2.960 20 5 HFBDRN COC(=O)c1ccc(C)c(COC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000789627783 1077699561 /nfs/dbraw/zinc/69/95/61/1077699561.db2.gz IEPVYUFCKHWRSF-HNNXBMFYSA-N 0 0 416.386 2.631 20 5 HFBDRN COc1ccc(OC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1[N+](=O)[O-] ZINC000792113319 1077702286 /nfs/dbraw/zinc/70/22/86/1077702286.db2.gz LFNSQOFELRJMFY-UHFFFAOYSA-N 0 0 417.330 2.805 20 5 HFBDRN COc1ccc(OC(=O)C2(OC)CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000792114348 1077702447 /nfs/dbraw/zinc/70/24/47/1077702447.db2.gz ZNEACHQJCUHKBG-UHFFFAOYSA-N 0 0 410.423 2.925 20 5 HFBDRN COc1cc(OC)cc(N2C[C@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000792116281 1077703251 /nfs/dbraw/zinc/70/32/51/1077703251.db2.gz HRXNXMCCTDHZCO-GFCCVEGCSA-N 0 0 416.386 2.579 20 5 HFBDRN COc1ccc(OC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000792119577 1077704151 /nfs/dbraw/zinc/70/41/51/1077704151.db2.gz PVHCRVCRZZPARD-UHFFFAOYSA-N 0 0 424.356 2.768 20 5 HFBDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000772742139 1077709176 /nfs/dbraw/zinc/70/91/76/1077709176.db2.gz OUGGJTXQJVBXDO-VXGBXAGGSA-N 0 0 403.439 2.989 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1[N+](=O)[O-] ZINC000792119190 1077712730 /nfs/dbraw/zinc/71/27/30/1077712730.db2.gz LNOKAVPGIMWKGB-UHFFFAOYSA-N 0 0 420.179 2.561 20 5 HFBDRN C[C@@H](ON=C(N)C(C)(C)NC(=O)OC(C)(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789635761 1077713656 /nfs/dbraw/zinc/71/36/56/1077713656.db2.gz JZQWXBPKZZOEDH-LLVKDONJSA-N 0 0 409.443 2.724 20 5 HFBDRN O=C(C1CCC(O)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000792128697 1077715792 /nfs/dbraw/zinc/71/57/92/1077715792.db2.gz LRAODIOBECRIJA-UHFFFAOYSA-N 0 0 401.385 2.813 20 5 HFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H]([C@H]1CCCOC1)C(F)(F)F ZINC000789646877 1077717983 /nfs/dbraw/zinc/71/79/83/1077717983.db2.gz MHZAZIOBPLWTND-WFASDCNBSA-N 0 0 404.341 2.615 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000789658684 1077723649 /nfs/dbraw/zinc/72/36/49/1077723649.db2.gz OACZLATZBSZDOL-ZANVPECISA-N 0 0 411.354 2.513 20 5 HFBDRN COc1ccc(OC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000792121447 1077728254 /nfs/dbraw/zinc/72/82/54/1077728254.db2.gz ZORSCKOBQUSVEU-ZOBUZTSGSA-N 0 0 416.430 2.875 20 5 HFBDRN COc1ccc(OC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000792123741 1077728824 /nfs/dbraw/zinc/72/88/24/1077728824.db2.gz OLVJOAZNSSXEQQ-SFHVURJKSA-N 0 0 421.409 2.945 20 5 HFBDRN CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(OC)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000792125851 1077730379 /nfs/dbraw/zinc/73/03/79/1077730379.db2.gz YMGDCSAMFBGFLK-ZDUSSCGKSA-N 0 0 400.387 2.961 20 5 HFBDRN COc1nc(Br)ccc1NC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000789701671 1077744560 /nfs/dbraw/zinc/74/45/60/1077744560.db2.gz KOXRYRWESMJSNC-ZDUSSCGKSA-N 0 0 421.207 2.893 20 5 HFBDRN CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789707727 1077747849 /nfs/dbraw/zinc/74/78/49/1077747849.db2.gz BXEJOJYAKCGAOV-LJQANCHMSA-N 0 0 419.441 2.654 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c(C)c1 ZINC000789719948 1077757088 /nfs/dbraw/zinc/75/70/88/1077757088.db2.gz MPYHSBFLNKKWFW-HNNXBMFYSA-N 0 0 411.414 2.784 20 5 HFBDRN C[C@H](c1nnnn1C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000792219801 1077772319 /nfs/dbraw/zinc/77/23/19/1077772319.db2.gz LCEZQEYQIBFSAM-LLVKDONJSA-N 0 0 411.388 2.818 20 5 HFBDRN Cc1c(CNC(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cccc1[N+](=O)[O-] ZINC000792287768 1077776199 /nfs/dbraw/zinc/77/61/99/1077776199.db2.gz SYYQPSBADGXKHK-UHFFFAOYSA-N 0 0 407.448 2.648 20 5 HFBDRN CC(C)(C)OC(=O)c1cnc(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000792309369 1077800564 /nfs/dbraw/zinc/80/05/64/1077800564.db2.gz ZVTGELQYMNIVDI-UHFFFAOYSA-N 0 0 404.335 2.605 20 5 HFBDRN CC(C)n1ncc2c1C[C@H](NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 ZINC000792319298 1077805562 /nfs/dbraw/zinc/80/55/62/1077805562.db2.gz YVDABQUWDZDMQI-GFCCVEGCSA-N 0 0 405.842 2.638 20 5 HFBDRN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)NCc1nc(-c2cccs2)c[nH]1 ZINC000792326272 1077808627 /nfs/dbraw/zinc/80/86/27/1077808627.db2.gz BIVOYGFRLNFRMJ-UHFFFAOYSA-N 0 0 416.415 2.563 20 5 HFBDRN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000789841997 1077817171 /nfs/dbraw/zinc/81/71/71/1077817171.db2.gz XEKZVBGLLYTDTK-UHFFFAOYSA-N 0 0 416.777 2.771 20 5 HFBDRN CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1(C)C ZINC000789880316 1077833764 /nfs/dbraw/zinc/83/37/64/1077833764.db2.gz AYEUQOMQHGFTQC-MLGOLLRUSA-N 0 0 419.247 2.792 20 5 HFBDRN COc1cc(CNc2nnc(C(C)(C)O)o2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000789879731 1077833916 /nfs/dbraw/zinc/83/39/16/1077833916.db2.gz GVZJNHQENNSVKI-UHFFFAOYSA-N 0 0 406.317 2.767 20 5 HFBDRN O=C(CN1CCO[C@@H](COc2ccccc2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792377647 1077843574 /nfs/dbraw/zinc/84/35/74/1077843574.db2.gz QOFOXHAYKAVZSU-MRXNPFEDSA-N 0 0 405.838 2.967 20 5 HFBDRN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)N1CCCCC1=O ZINC000789925302 1077849744 /nfs/dbraw/zinc/84/97/44/1077849744.db2.gz URPMFPBIJKJQMY-MRXNPFEDSA-N 0 0 402.495 2.962 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nc(Cl)ccc2O)ccc1[N+](=O)[O-] ZINC000789930222 1077851514 /nfs/dbraw/zinc/85/15/14/1077851514.db2.gz KGZJTLDWNJAAIS-CYBMUJFWSA-N 0 0 404.810 2.901 20 5 HFBDRN C[C@H](NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000792446330 1077852938 /nfs/dbraw/zinc/85/29/38/1077852938.db2.gz ZHYQBCZXQMAAKP-LBPRGKRZSA-N 0 0 417.384 2.565 20 5 HFBDRN Nn1c(COc2ccc(F)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789901926 1077856374 /nfs/dbraw/zinc/85/63/74/1077856374.db2.gz HYHDXSAMOJHDDQ-UHFFFAOYSA-N 0 0 420.382 2.819 20 5 HFBDRN O=[N+]([O-])c1ccc(CSc2nnc(N3CCOCC3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000789909152 1077857416 /nfs/dbraw/zinc/85/74/16/1077857416.db2.gz XFNDXBQBBNNFHW-UHFFFAOYSA-N 0 0 406.424 2.558 20 5 HFBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000789965669 1077873200 /nfs/dbraw/zinc/87/32/00/1077873200.db2.gz BMXJWPXHSAELNJ-OAHLLOKOSA-N 0 0 420.775 2.860 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC1(CS(C)(=O)=O)CC1 ZINC000792474983 1077873669 /nfs/dbraw/zinc/87/36/69/1077873669.db2.gz NEISTFBIXBKKNZ-UHFFFAOYSA-N 0 0 406.254 2.647 20 5 HFBDRN C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)NC(=O)OC(C)(C)C ZINC000792505221 1077893749 /nfs/dbraw/zinc/89/37/49/1077893749.db2.gz CKXCQOHLTGXRMV-AWEZNQCLSA-N 0 0 406.483 2.841 20 5 HFBDRN Cc1c(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])cccc1NC(=O)N(C)C ZINC000792550431 1077900293 /nfs/dbraw/zinc/90/02/93/1077900293.db2.gz BBIRWBRMEGMDBE-UHFFFAOYSA-N 0 0 400.391 2.827 20 5 HFBDRN O=C(Nc1nc(Br)ccc1O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000790045963 1077910445 /nfs/dbraw/zinc/91/04/45/1077910445.db2.gz BVESCUWOXFXDLD-UHFFFAOYSA-N 0 0 414.237 2.795 20 5 HFBDRN Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000016313814 1077926239 /nfs/dbraw/zinc/92/62/39/1077926239.db2.gz AMLYDNAJOGISQY-UHFFFAOYSA-N 0 0 414.292 2.979 20 5 HFBDRN CC(=O)Nc1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)cn1 ZINC000790083860 1077926485 /nfs/dbraw/zinc/92/64/85/1077926485.db2.gz VHIOADVKYPIOEG-UHFFFAOYSA-N 0 0 411.187 2.780 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC001170290148 1077938811 /nfs/dbraw/zinc/93/88/11/1077938811.db2.gz DIYIKUSMEBJSBQ-SFHVURJKSA-N 0 0 412.446 2.543 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC001170333527 1077945897 /nfs/dbraw/zinc/94/58/97/1077945897.db2.gz NVWCMOWXVOFABD-OAHLLOKOSA-N 0 0 403.298 2.758 20 5 HFBDRN COC[C@H]1c2nnn(CC3CC3)c2CCN1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170336412 1077947462 /nfs/dbraw/zinc/94/74/62/1077947462.db2.gz XMRFLGVUARWCFF-XOBRGWDASA-N 0 0 415.494 2.782 20 5 HFBDRN COC(=O)c1cnc(NC[C@H](O)c2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000790100150 1077949159 /nfs/dbraw/zinc/94/91/59/1077949159.db2.gz DWESWGWNZLHWTE-ZDUSSCGKSA-N 0 0 401.297 2.821 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)CSc1nccn1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC001170356962 1077949375 /nfs/dbraw/zinc/94/93/75/1077949375.db2.gz IUOHWJVCDLGMEH-LJQANCHMSA-N 0 0 420.491 2.843 20 5 HFBDRN COC(=O)[C@@](C)(NC(=O)CNc1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC001170358181 1077949705 /nfs/dbraw/zinc/94/97/05/1077949705.db2.gz XOCSBRPTQTZADN-IBGZPJMESA-N 0 0 421.837 2.873 20 5 HFBDRN COC(=O)C(C(=O)OC)c1ncc(NC2CC(C)(C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC001170361383 1077950582 /nfs/dbraw/zinc/95/05/82/1077950582.db2.gz NZZGCWVYTLEDLL-UHFFFAOYSA-N 0 0 409.439 2.568 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCCn3nnc(COCC4CC4)c3C2)c([N+](=O)[O-])c1 ZINC001170339820 1077952596 /nfs/dbraw/zinc/95/25/96/1077952596.db2.gz JUCYYQFNCOJGMN-HNNXBMFYSA-N 0 0 415.494 2.958 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCc3onc(C(=O)N4CCCC4)c3C2)c([N+](=O)[O-])c1 ZINC001170340856 1077953064 /nfs/dbraw/zinc/95/30/64/1077953064.db2.gz GWSREHFMUNVDSH-AWEZNQCLSA-N 0 0 414.462 2.817 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])c(Cl)c3)cc2CC1 ZINC000790170613 1077964500 /nfs/dbraw/zinc/96/45/00/1077964500.db2.gz VGFVCLKCVJQWIK-UHFFFAOYSA-N 0 0 424.862 2.963 20 5 HFBDRN Cc1c(Cn2cnc3c(c2=O)CCN(C(=O)OC(C)(C)C)CC3)cccc1[N+](=O)[O-] ZINC000792666780 1077968116 /nfs/dbraw/zinc/96/81/16/1077968116.db2.gz JOZXQVNUOMKYSC-UHFFFAOYSA-N 0 0 414.462 2.844 20 5 HFBDRN COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CCOCC1 ZINC000746886214 1077971309 /nfs/dbraw/zinc/97/13/09/1077971309.db2.gz GZXCJYJPFHKRNO-UHFFFAOYSA-N 0 0 404.341 2.798 20 5 HFBDRN O=C(COC(=O)c1ccc2cc(O)ccc2c1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000792722554 1077974877 /nfs/dbraw/zinc/97/48/77/1077974877.db2.gz KGEHDXUVOUDERD-UHFFFAOYSA-N 0 0 410.338 2.978 20 5 HFBDRN Cc1ccc(-n2cnc3c2CCN(CN2C(=O)c4cccc([N+](=O)[O-])c4C2=O)C3)cc1 ZINC000792707645 1077979626 /nfs/dbraw/zinc/97/96/26/1077979626.db2.gz QFSHULMYJAVONO-UHFFFAOYSA-N 0 0 417.425 2.701 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000790282529 1077984450 /nfs/dbraw/zinc/98/44/50/1077984450.db2.gz VRHWUQGHFBGTND-ZDUSSCGKSA-N 0 0 410.858 2.617 20 5 HFBDRN COC[C@@H](NC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)[C@H]1CCCO1 ZINC000790286288 1077985688 /nfs/dbraw/zinc/98/56/88/1077985688.db2.gz YBROYCGXVPAIPU-ZYHUDNBSSA-N 0 0 407.648 2.935 20 5 HFBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OC[C@@H]1CC2(CCC2)C(=O)O1 ZINC000790263184 1077989789 /nfs/dbraw/zinc/98/97/89/1077989789.db2.gz KTGRWTVSFHKSPN-HNNXBMFYSA-N 0 0 415.402 2.822 20 5 HFBDRN CN(Cc1cnn(-c2ccccc2)n1)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000790267024 1077990258 /nfs/dbraw/zinc/99/02/58/1077990258.db2.gz HNBFOXOWRWLNOS-UHFFFAOYSA-N 0 0 408.462 2.644 20 5 HFBDRN O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000792783762 1077990255 /nfs/dbraw/zinc/99/02/55/1077990255.db2.gz KGBUGBPPVQTHFR-IBGZPJMESA-N 0 0 404.806 2.650 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H](OCc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000790334815 1078006073 /nfs/dbraw/zinc/00/60/73/1078006073.db2.gz RNARMJVMAGXDJG-AWEZNQCLSA-N 0 0 411.867 2.931 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)c1F ZINC000790381045 1078009139 /nfs/dbraw/zinc/00/91/39/1078009139.db2.gz ZQLOIZHTZFKLBC-CQSZACIVSA-N 0 0 410.199 2.761 20 5 HFBDRN CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790381806 1078009656 /nfs/dbraw/zinc/00/96/56/1078009656.db2.gz BNBSHULZICQVDK-UHFFFAOYSA-N 0 0 408.392 2.879 20 5 HFBDRN COc1ncc(C(=O)OCCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cc1Cl ZINC000792859295 1078010147 /nfs/dbraw/zinc/01/01/47/1078010147.db2.gz BSCHQWXVPBKLLT-UHFFFAOYSA-N 0 0 407.766 2.807 20 5 HFBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000792873654 1078013279 /nfs/dbraw/zinc/01/32/79/1078013279.db2.gz DIRCLCPLKRACPM-LBPRGKRZSA-N 0 0 408.436 2.604 20 5 HFBDRN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1OCC(=O)NC ZINC000792876156 1078015599 /nfs/dbraw/zinc/01/55/99/1078015599.db2.gz MAITVKAWLXNUBV-MRXNPFEDSA-N 0 0 402.407 2.869 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(S(=O)(=O)CCC(F)(F)F)CC2 ZINC000790368842 1078015960 /nfs/dbraw/zinc/01/59/60/1078015960.db2.gz LLYZOPRLNCWVIG-UHFFFAOYSA-N 0 0 417.203 2.998 20 5 HFBDRN NC(=O)COc1ccc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc1 ZINC000792892856 1078018497 /nfs/dbraw/zinc/01/84/97/1078018497.db2.gz SMYMHSALOMXLOP-UHFFFAOYSA-N 0 0 420.263 2.780 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000790405265 1078019467 /nfs/dbraw/zinc/01/94/67/1078019467.db2.gz VDGBERJUIJSJIC-YPMHNXCESA-N 0 0 405.270 2.689 20 5 HFBDRN CC[C@](C)(CC(=O)OC)NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000796945156 1078021008 /nfs/dbraw/zinc/02/10/08/1078021008.db2.gz MTXUMMYSIXCCMN-MRXNPFEDSA-N 0 0 416.272 2.642 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])ccc1Cl)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000790424655 1078023232 /nfs/dbraw/zinc/02/32/32/1078023232.db2.gz NZHSLFANHDMRGM-KRWDZBQOSA-N 0 0 420.828 2.988 20 5 HFBDRN Cc1cc(F)c(Br)cc1S(=O)(=O)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000790398552 1078025690 /nfs/dbraw/zinc/02/56/90/1078025690.db2.gz IJSPNBSZVAZDFH-UHFFFAOYSA-N 0 0 405.205 2.505 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000790459447 1078027020 /nfs/dbraw/zinc/02/70/20/1078027020.db2.gz JSFNVNTWPDRRTB-INIZCTEOSA-N 0 0 407.467 2.590 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000790449233 1078034914 /nfs/dbraw/zinc/03/49/14/1078034914.db2.gz ZVHYUTQFUMASPM-AOOOYVTPSA-N 0 0 405.860 2.582 20 5 HFBDRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCc2cc(Br)ccc2C1 ZINC000790453357 1078036575 /nfs/dbraw/zinc/03/65/75/1078036575.db2.gz WBUZPECJJDHBBP-UHFFFAOYSA-N 0 0 416.231 2.969 20 5 HFBDRN CN(C(=O)COC(=O)c1cc(N)ccc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000747097536 1078042110 /nfs/dbraw/zinc/04/21/10/1078042110.db2.gz IUILUEIFEZAIMO-UHFFFAOYSA-N 0 0 408.208 2.759 20 5 HFBDRN Cn1cc(C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)cn1 ZINC000792994630 1078043221 /nfs/dbraw/zinc/04/32/21/1078043221.db2.gz ADSSUYNANVWHKR-AWEZNQCLSA-N 0 0 413.478 2.656 20 5 HFBDRN O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CCC2(CC1)C(F)(F)C2(F)F ZINC001130574865 1079536118 /nfs/dbraw/zinc/53/61/18/1079536118.db2.gz XFCYKRIWOYHDRP-SNVBAGLBSA-N 0 0 419.331 2.685 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2O1 ZINC001130589836 1079570694 /nfs/dbraw/zinc/57/06/94/1079570694.db2.gz TULADAXMDQNJTA-INIZCTEOSA-N 0 0 406.391 2.793 20 5 HFBDRN COC(=O)[C@@H](c1cccc(OC)c1)N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001130629669 1079709203 /nfs/dbraw/zinc/70/92/03/1079709203.db2.gz NVYAZAGAQDXLOR-LJQANCHMSA-N 0 0 424.413 2.775 20 5 HFBDRN C[C@H](NC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000806453955 1079724224 /nfs/dbraw/zinc/72/42/24/1079724224.db2.gz DLMAYVOMGIYNDK-LESCRADOSA-N 0 0 420.466 2.735 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCCC[C@@H]1COC(=O)NC(C)C ZINC000806493964 1079744666 /nfs/dbraw/zinc/74/46/66/1079744666.db2.gz JKKDDFYJQHSLNI-MRXNPFEDSA-N 0 0 408.455 2.802 20 5 HFBDRN CS(=O)(=O)N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)C1 ZINC001130663704 1079778580 /nfs/dbraw/zinc/77/85/80/1079778580.db2.gz PYOMCDUWOVOZOR-CYBMUJFWSA-N 0 0 421.500 2.510 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(N(C(=O)COc2ccc([N+](=O)[O-])cc2)C2CCC2)C1 ZINC001130686879 1079841767 /nfs/dbraw/zinc/84/17/67/1079841767.db2.gz PMLPIHNFCMURLN-UHFFFAOYSA-N 0 0 405.451 2.974 20 5 HFBDRN CC(C)(C)OC(=O)N[C@](C)(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC001130711752 1079909448 /nfs/dbraw/zinc/90/94/48/1079909448.db2.gz OPEGDPXVWOLRSX-DICRZQGBSA-N 0 0 405.451 2.771 20 5 HFBDRN CC(=O)OC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000806766927 1079986857 /nfs/dbraw/zinc/98/68/57/1079986857.db2.gz LJILXBJEBKASJX-UHFFFAOYSA-N 0 0 403.357 2.604 20 5 HFBDRN C[C@@H](C(=O)Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000806786627 1080008718 /nfs/dbraw/zinc/00/87/18/1080008718.db2.gz QUEIIEUYJAWBPA-LLVKDONJSA-N 0 0 416.438 2.821 20 5 HFBDRN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)O[C@@H](c1ccccn1)C(F)(F)F ZINC000747358366 1080029474 /nfs/dbraw/zinc/02/94/74/1080029474.db2.gz OGEWMDIHQFEOJB-HNNXBMFYSA-N 0 0 412.324 2.636 20 5 HFBDRN O=C(Nc1nccc2c1cccc2[N+](=O)[O-])c1ccc(N2CCCS2(=O)=O)cc1 ZINC001130761258 1080055043 /nfs/dbraw/zinc/05/50/43/1080055043.db2.gz MIFMQDVIPFRBOC-UHFFFAOYSA-N 0 0 412.427 2.935 20 5 HFBDRN O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)N1CCOc2c(F)ccc(F)c21 ZINC001130768644 1080070904 /nfs/dbraw/zinc/07/09/04/1080070904.db2.gz SVECPKUCEKCDLG-UHFFFAOYSA-N 0 0 401.329 2.552 20 5 HFBDRN CC1(C)OC[C@@H](CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)O1 ZINC000807096949 1080274653 /nfs/dbraw/zinc/27/46/53/1080274653.db2.gz MBQKUPISBFJMDT-SNVBAGLBSA-N 0 0 414.256 2.577 20 5 HFBDRN O=C(NCc1ccccc1Cn1cccn1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000807107118 1080285917 /nfs/dbraw/zinc/28/59/17/1080285917.db2.gz VNLLUWLDNXBBFE-UHFFFAOYSA-N 0 0 420.473 2.871 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])nc1Br ZINC000807298090 1080491725 /nfs/dbraw/zinc/49/17/25/1080491725.db2.gz SJOIAQWDCNVRCR-UHFFFAOYSA-N 0 0 421.251 2.700 20 5 HFBDRN CCOC1CC(N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2Br)C1 ZINC000807508188 1080710096 /nfs/dbraw/zinc/71/00/96/1080710096.db2.gz YMBHCZVDNFSLGB-UHFFFAOYSA-N 0 0 414.256 2.630 20 5 HFBDRN COc1ccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3Cl)CC2=O)cc1 ZINC001130986823 1080815599 /nfs/dbraw/zinc/81/55/99/1080815599.db2.gz UIKXREIEGOPMIB-CYBMUJFWSA-N 0 0 403.822 2.721 20 5 HFBDRN O=C([O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000426804707 1126091455 /nfs/dbraw/zinc/09/14/55/1126091455.db2.gz VWAMOZAUWMZKIQ-UXHICEINSA-N 0 0 400.431 2.938 20 5 HFBDRN O=C([O-])[C@H](Cn1cc(Cl)cn1)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001321112407 1126171064 /nfs/dbraw/zinc/17/10/64/1126171064.db2.gz GEILQUGRAHDYFN-AWEZNQCLSA-N 0 0 407.839 2.811 20 5 HFBDRN O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164699029 719895595 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CCKCGUAJSMMHKJ-AWEZNQCLSA-N 0 0 405.451 2.633 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000793046302 1078055396 /nfs/dbraw/zinc/05/53/96/1078055396.db2.gz GYWAQZXQLQQNOB-JSGCOSHPSA-N 0 0 417.384 2.745 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000793046303 1078055426 /nfs/dbraw/zinc/05/54/26/1078055426.db2.gz GYWAQZXQLQQNOB-OCCSQVGLSA-N 0 0 417.384 2.745 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000790556888 1078055386 /nfs/dbraw/zinc/05/53/86/1078055386.db2.gz KWCTUTULBSJLJG-LLVKDONJSA-N 0 0 411.739 2.599 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000790564566 1078057151 /nfs/dbraw/zinc/05/71/51/1078057151.db2.gz MYJPYRCISGBQAO-MRXNPFEDSA-N 0 0 420.828 2.632 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)c2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000746933248 1078071310 /nfs/dbraw/zinc/07/13/10/1078071310.db2.gz LOQVYTSNDWFTIZ-MFKMUULPSA-N 0 0 404.423 2.628 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCSc3ccncc32)c(C)c1[N+](=O)[O-] ZINC000790638796 1078072736 /nfs/dbraw/zinc/07/27/36/1078072736.db2.gz DBSLRJLQQFQEJR-UHFFFAOYSA-N 0 0 410.433 2.816 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(Cc2cccc(O)c2)CC1 ZINC000790622135 1078079373 /nfs/dbraw/zinc/07/93/73/1078079373.db2.gz RXSOMUFBPFALAA-UHFFFAOYSA-N 0 0 407.829 2.980 20 5 HFBDRN O=C(CC1OCCCO1)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000793118828 1078083955 /nfs/dbraw/zinc/08/39/55/1078083955.db2.gz SIMJCIUMWLZUMW-MRXNPFEDSA-N 0 0 406.435 2.676 20 5 HFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000746938353 1078090171 /nfs/dbraw/zinc/09/01/71/1078090171.db2.gz IDFLHCYYBRIENF-UHFFFAOYSA-N 0 0 405.367 2.533 20 5 HFBDRN CC(C)N1C(=S)N=NC1CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790652758 1078094244 /nfs/dbraw/zinc/09/42/44/1078094244.db2.gz CFXJYHFKGSDIQI-UHFFFAOYSA-N 0 0 401.851 2.750 20 5 HFBDRN 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COc1cc(OC)cc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc(C)c3F)C2=O)c1 ZINC000790812696 1078127420 /nfs/dbraw/zinc/12/74/20/1078127420.db2.gz CAWBPKSKTVSFQY-KRWDZBQOSA-N 0 0 417.393 2.595 20 5 HFBDRN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC2 ZINC000790771279 1078128771 /nfs/dbraw/zinc/12/87/71/1078128771.db2.gz AXKHPPBOOBOHFJ-CVEARBPZSA-N 0 0 400.834 2.708 20 5 HFBDRN CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CC2 ZINC000790771284 1078128779 /nfs/dbraw/zinc/12/87/79/1078128779.db2.gz AXKHPPBOOBOHFJ-HOTGVXAUSA-N 0 0 400.834 2.708 20 5 HFBDRN COC(=O)c1cnc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000790775000 1078130142 /nfs/dbraw/zinc/13/01/42/1078130142.db2.gz UWPNBEAWLMXKRI-OLZOCXBDSA-N 0 0 408.455 2.906 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000790843031 1078144906 /nfs/dbraw/zinc/14/49/06/1078144906.db2.gz LVEFXXGEABWDLA-CYBMUJFWSA-N 0 0 401.485 2.745 20 5 HFBDRN CCO[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000790851335 1078149147 /nfs/dbraw/zinc/14/91/47/1078149147.db2.gz DSLPZWCFKSTLMF-LSDHHAIUSA-N 0 0 413.452 2.746 20 5 HFBDRN CO[C@]1(C)C[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1(C)C ZINC000790851699 1078150014 /nfs/dbraw/zinc/15/00/14/1078150014.db2.gz SYQMMSGCXCAJGF-RHSMWYFYSA-N 0 0 415.468 2.944 20 5 HFBDRN COC(=O)c1ccccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790814839 1078153141 /nfs/dbraw/zinc/15/31/41/1078153141.db2.gz FNMFZHWZSVXGTK-UHFFFAOYSA-N 0 0 410.360 2.674 20 5 HFBDRN COc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790820022 1078154850 /nfs/dbraw/zinc/15/48/50/1078154850.db2.gz QTKQEQZKGFUWIK-UHFFFAOYSA-N 0 0 409.420 2.949 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)c1[N+](=O)[O-] ZINC000790821779 1078156429 /nfs/dbraw/zinc/15/64/29/1078156429.db2.gz AEECSZJJUSPTLW-UKRRQHHQSA-N 0 0 403.460 2.768 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCn3c4ccccc4nc32)c(C)c1[N+](=O)[O-] ZINC000790827960 1078158775 /nfs/dbraw/zinc/15/87/75/1078158775.db2.gz MNXPLQSOHIYFSU-UHFFFAOYSA-N 0 0 417.403 2.678 20 5 HFBDRN CC(C)c1cc(C(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])n(C)n1 ZINC000747116098 1078160748 /nfs/dbraw/zinc/16/07/48/1078160748.db2.gz AIUHNYSWEMMDMC-AWEZNQCLSA-N 0 0 400.435 2.913 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCCO[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000790874068 1078167913 /nfs/dbraw/zinc/16/79/13/1078167913.db2.gz KVAYSZHMNKGJCS-DZGCQCFKSA-N 0 0 415.468 2.992 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CC2(O)CCCCCC2)c(C)c1[N+](=O)[O-] ZINC000790874092 1078167929 /nfs/dbraw/zinc/16/79/29/1078167929.db2.gz LSGGJVTZNFREMS-UHFFFAOYSA-N 0 0 415.468 2.826 20 5 HFBDRN COc1c(C(=O)N2CCC(C3N=NC(=S)N3C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000793437889 1078171943 /nfs/dbraw/zinc/17/19/43/1078171943.db2.gz YAKNGSQIWOAYRQ-UHFFFAOYSA-N 0 0 403.464 2.838 20 5 HFBDRN 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C[C@@]1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCN(C(=O)OCc2ccccc2)C1 ZINC000794225737 1078387632 /nfs/dbraw/zinc/38/76/32/1078387632.db2.gz BUYONDFIKWTMSS-OAQYLSRUSA-N 0 0 413.430 2.891 20 5 HFBDRN COC(=O)c1cc(F)cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1F ZINC000794240315 1078390737 /nfs/dbraw/zinc/39/07/37/1078390737.db2.gz IOUIMNIVYDBOEA-HNNXBMFYSA-N 0 0 405.313 2.791 20 5 HFBDRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)c2)C1=O ZINC000794269176 1078397527 /nfs/dbraw/zinc/39/75/27/1078397527.db2.gz ZRWNXULAAMOWBB-MRXNPFEDSA-N 0 0 411.418 2.748 20 5 HFBDRN Cc1c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cccc1N1C(=O)CNC1=O ZINC000794281802 1078400618 /nfs/dbraw/zinc/40/06/18/1078400618.db2.gz VXTVCESTIGEOQZ-UHFFFAOYSA-N 0 0 420.784 2.933 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@]2(CCOC2)O1 ZINC000794308542 1078407567 /nfs/dbraw/zinc/40/75/67/1078407567.db2.gz YDULQKZYGLFGPF-BZNIZROVSA-N 0 0 417.231 2.907 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N(CCO)Cc1cccnc1Cl ZINC000794332459 1078416959 /nfs/dbraw/zinc/41/69/59/1078416959.db2.gz ODIFEXIIFGHYPO-UHFFFAOYSA-N 0 0 404.854 2.878 20 5 HFBDRN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1Cl ZINC001129447711 1078456882 /nfs/dbraw/zinc/45/68/82/1078456882.db2.gz PMRQAHROQDMRKN-LBPRGKRZSA-N 0 0 421.793 2.871 20 5 HFBDRN O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000804397404 1078462689 /nfs/dbraw/zinc/46/26/89/1078462689.db2.gz SMMDEMLNPCMNPA-QWHCGFSZSA-N 0 0 403.204 2.516 20 5 HFBDRN Cn1c2cc([N+](=O)[O-])c(N3CCC(CNC(=O)OC(C)(C)C)CC3)cc2n(C)c1=O ZINC000804399217 1078462702 /nfs/dbraw/zinc/46/27/02/1078462702.db2.gz IUUCWUHOYWGFPF-UHFFFAOYSA-N 0 0 419.482 2.526 20 5 HFBDRN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000804427436 1078473711 /nfs/dbraw/zinc/47/37/11/1078473711.db2.gz VWJIKZGUXRXTIF-AQNXPRMDSA-N 0 0 406.442 2.976 20 5 HFBDRN COC(=O)c1cncnc1N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000804425716 1078472943 /nfs/dbraw/zinc/47/29/43/1078472943.db2.gz UPIYYGLLEKYMPD-UHFFFAOYSA-N 0 0 411.340 2.517 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000747204540 1078494839 /nfs/dbraw/zinc/49/48/39/1078494839.db2.gz VOWVNWLBHLKXSC-UHFFFAOYSA-N 0 0 423.466 2.828 20 5 HFBDRN C[C@H]1CCCN(C(=O)OC[C@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000804668991 1078501640 /nfs/dbraw/zinc/50/16/40/1078501640.db2.gz PRMAWYHDIIQBPK-DZGCQCFKSA-N 0 0 406.439 2.559 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(NCc2ccc(OCC(=O)N(C)C)c(OC)c2)c1 ZINC000747206981 1078503479 /nfs/dbraw/zinc/50/34/79/1078503479.db2.gz AJTBPKNLASZRLM-UHFFFAOYSA-N 0 0 407.398 2.830 20 5 HFBDRN COc1ccc(CCCC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(OC)c1 ZINC001129495782 1078515168 /nfs/dbraw/zinc/51/51/68/1078515168.db2.gz LGSPWSNMLRALSD-UHFFFAOYSA-N 0 0 414.462 2.679 20 5 HFBDRN CCN1C(=S)N=NC1C1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000804443893 1078509753 /nfs/dbraw/zinc/50/97/53/1078509753.db2.gz LHCFMLNJBQRMMS-UHFFFAOYSA-N 0 0 405.480 2.974 20 5 HFBDRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804680308 1078517020 /nfs/dbraw/zinc/51/70/20/1078517020.db2.gz WYBCBSZWYUMXOV-AWEZNQCLSA-N 0 0 403.439 2.944 20 5 HFBDRN CC(C)Oc1cccc([C@H](O)CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)c1 ZINC000804463009 1078525369 /nfs/dbraw/zinc/52/53/69/1078525369.db2.gz YKGKWQFKXJNXJM-LJQANCHMSA-N 0 0 400.435 2.718 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1 ZINC000804462663 1078525969 /nfs/dbraw/zinc/52/59/69/1078525969.db2.gz PRBANLLJAHQLFK-SMDDNHRTSA-N 0 0 424.454 2.949 20 5 HFBDRN COC(=O)c1cc(C)nc(NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)c1[N+](=O)[O-] ZINC000804693362 1078532708 /nfs/dbraw/zinc/53/27/08/1078532708.db2.gz FJOOSVVDORBYNN-GFCCVEGCSA-N 0 0 418.381 2.838 20 5 HFBDRN Cc1ccc(N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804693833 1078534675 /nfs/dbraw/zinc/53/46/75/1078534675.db2.gz ZPAPRXLPFUROEY-MNOVXSKESA-N 0 0 406.302 2.796 20 5 HFBDRN Cc1ccc(N2CCCN(S(=O)(=O)C3CC3)CC2)c([N+](=O)[O-])c1Br ZINC000804697354 1078538511 /nfs/dbraw/zinc/53/85/11/1078538511.db2.gz ZOIKSDYNIRATPZ-UHFFFAOYSA-N 0 0 418.313 2.670 20 5 HFBDRN O=C(NCCc1cccc(Br)c1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001129549281 1078540553 /nfs/dbraw/zinc/54/05/53/1078540553.db2.gz HDCLSVOFKWVEBQ-UHFFFAOYSA-N 0 0 416.235 2.911 20 5 HFBDRN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNc3ccc([N+](=O)[O-])c4nonc43)c2)C1=O ZINC000804700053 1078542334 /nfs/dbraw/zinc/54/23/34/1078542334.db2.gz MJEITKQKKPMDNB-FQEVSTJZSA-N 0 0 422.401 2.968 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000804523078 1078562197 /nfs/dbraw/zinc/56/21/97/1078562197.db2.gz KESLGEJMTJFCKK-ZDUSSCGKSA-N 0 0 408.455 2.921 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000747209659 1078568751 /nfs/dbraw/zinc/56/87/51/1078568751.db2.gz ORLTYSJPWQLJLC-UHFFFAOYSA-N 0 0 407.373 2.609 20 5 HFBDRN CNC(=O)CCOC1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000804534282 1078570930 /nfs/dbraw/zinc/57/09/30/1078570930.db2.gz GNVIWTGOAVLZKI-UHFFFAOYSA-N 0 0 400.273 2.787 20 5 HFBDRN CNC(=O)c1ccc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000804705359 1078571850 /nfs/dbraw/zinc/57/18/50/1078571850.db2.gz UWIALPIECAAJPV-KBPBESRZSA-N 0 0 410.446 2.738 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1CCN(C(=O)C(F)(F)F)CC1 ZINC000804540571 1078588029 /nfs/dbraw/zinc/58/80/29/1078588029.db2.gz YZXPJQIZDVYIHN-UHFFFAOYSA-N 0 0 403.357 2.903 20 5 HFBDRN COc1ccc(/C=C(/C)C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1F ZINC001129610980 1078581578 /nfs/dbraw/zinc/58/15/78/1078581578.db2.gz VBFSBQDYLSLKRC-OWBHPGMISA-N 0 0 400.410 2.890 20 5 HFBDRN CC[C@@](COC)(NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1)C(=O)OC ZINC001129617452 1078594580 /nfs/dbraw/zinc/59/45/80/1078594580.db2.gz BQKKHQYBJOVLND-FQEVSTJZSA-N 0 0 407.467 2.529 20 5 HFBDRN CCc1ccc([C@@H](O)CNc2ccc(C(=O)N[C@H](C)C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000804775121 1078601382 /nfs/dbraw/zinc/60/13/82/1078601382.db2.gz CAZCYTQGBMPGOT-YJYMSZOUSA-N 0 0 415.446 2.594 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000747210263 1078596872 /nfs/dbraw/zinc/59/68/72/1078596872.db2.gz WMGWGSYDCLLMCI-UHFFFAOYSA-N 0 0 403.410 2.608 20 5 HFBDRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC001129940064 1078602374 /nfs/dbraw/zinc/60/23/74/1078602374.db2.gz LUKPOHRTEUPXAF-VKJFTORMSA-N 0 0 415.471 2.690 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCN(C(=O)COc3ccc(C)cc3)CC2)c1 ZINC000747211824 1078604129 /nfs/dbraw/zinc/60/41/29/1078604129.db2.gz NVHLFKKHBJNVNF-UHFFFAOYSA-N 0 0 403.410 2.779 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000804760353 1078609507 /nfs/dbraw/zinc/60/95/07/1078609507.db2.gz JKTDCNOFFTWFIQ-OAHLLOKOSA-N 0 0 422.457 2.501 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000804590831 1078626394 /nfs/dbraw/zinc/62/63/94/1078626394.db2.gz OUHVEPZKVWAMBA-UHFFFAOYSA-N 0 0 400.391 2.670 20 5 HFBDRN O=C(c1ccccc1)N1C[C@H](CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])N2CC[C@H]1C2 ZINC000804595021 1078631372 /nfs/dbraw/zinc/63/13/72/1078631372.db2.gz FHZLILJKSAJMBZ-HOTGVXAUSA-N 0 0 411.418 2.514 20 5 HFBDRN CCOC(=O)c1cc(C(=O)Nc2cccc(F)c2S(C)(=O)=O)cc([N+](=O)[O-])c1 ZINC001129641922 1078632884 /nfs/dbraw/zinc/63/28/84/1078632884.db2.gz QDKQUBYRLGNRBB-UHFFFAOYSA-N 0 0 410.379 2.566 20 5 HFBDRN Cn1ccnc1[C@H]1C[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC001129643561 1078633730 /nfs/dbraw/zinc/63/37/30/1078633730.db2.gz BASZZFDHAODNRX-ZWNOBZJWSA-N 0 0 409.240 2.741 20 5 HFBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001129644933 1078634788 /nfs/dbraw/zinc/63/47/88/1078634788.db2.gz NCHXFGNTDYBCSE-CYBMUJFWSA-N 0 0 411.480 2.682 20 5 HFBDRN COC(=O)[C@@]1(C(F)(F)F)CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)C1 ZINC000804790735 1078645656 /nfs/dbraw/zinc/64/56/56/1078645656.db2.gz FGPBRAUJELJYRG-QGZVFWFLSA-N 0 0 415.368 2.763 20 5 HFBDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000804790476 1078646910 /nfs/dbraw/zinc/64/69/10/1078646910.db2.gz DEFKHNVGLDWAJX-HQJQHLMTSA-N 0 0 404.313 2.747 20 5 HFBDRN C[C@H]1C[C@@H](N2CCCC2)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000804813548 1078657671 /nfs/dbraw/zinc/65/76/71/1078657671.db2.gz RNPPLTPKKINEMR-NWDGAFQWSA-N 0 0 407.414 2.951 20 5 HFBDRN Cc1ccccc1[C@H](O)C1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000804814006 1078658164 /nfs/dbraw/zinc/65/81/64/1078658164.db2.gz XJIYIPLCDFYPKR-LJQANCHMSA-N 0 0 405.476 2.501 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)C2)CC1 ZINC000804834494 1078674952 /nfs/dbraw/zinc/67/49/52/1078674952.db2.gz IJPRJTVUEQYCSD-OAHLLOKOSA-N 0 0 417.510 2.694 20 5 HFBDRN COc1cc(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)ccc1[N+](=O)[O-] ZINC000804834239 1078675435 /nfs/dbraw/zinc/67/54/35/1078675435.db2.gz COIDQASNGQLHCB-MRXNPFEDSA-N 0 0 406.483 2.735 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000747218053 1078675911 /nfs/dbraw/zinc/67/59/11/1078675911.db2.gz QOTQCHLAVXUVRV-SJLPKXTDSA-N 0 0 404.511 2.558 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000804631147 1078685786 /nfs/dbraw/zinc/68/57/86/1078685786.db2.gz KRAWUCJSGWRTGI-LSDHHAIUSA-N 0 0 411.842 2.758 20 5 HFBDRN O=C(Nc1cc(N2CCOCC2)c(Br)cn1)c1cccc([N+](=O)[O-])c1 ZINC001129751072 1078690758 /nfs/dbraw/zinc/69/07/58/1078690758.db2.gz PUMREODKKMGWND-UHFFFAOYSA-N 0 0 407.224 2.841 20 5 HFBDRN CS(=O)(=O)c1c(F)cccc1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001129761722 1078705714 /nfs/dbraw/zinc/70/57/14/1078705714.db2.gz YUHVICLAAVIBLF-UHFFFAOYSA-N 0 0 404.322 2.991 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000804633142 1078712241 /nfs/dbraw/zinc/71/22/41/1078712241.db2.gz GVKBKIAZCPQCNF-TZMCWYRMSA-N 0 0 411.842 2.758 20 5 HFBDRN C[C@H](C(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000804634571 1078713082 /nfs/dbraw/zinc/71/30/82/1078713082.db2.gz QMUJVPGPCSKXMS-ZVZYQTTQSA-N 0 0 405.451 2.595 20 5 HFBDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)c2cc(F)cc(C)c2[N+](=O)[O-])s1 ZINC000804908444 1078730814 /nfs/dbraw/zinc/73/08/14/1078730814.db2.gz HSTCSPVVSDHOOR-ZJUUUORDSA-N 0 0 409.443 2.849 20 5 HFBDRN Cc1c(Br)ccnc1NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001130002151 1078743975 /nfs/dbraw/zinc/74/39/75/1078743975.db2.gz QVDYFNLSMHJXLU-UHFFFAOYSA-N 0 0 414.237 2.717 20 5 HFBDRN COC(=O)c1cc(Cl)cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c1O ZINC000804901587 1078756669 /nfs/dbraw/zinc/75/66/69/1078756669.db2.gz JPTHRPTWMOYXEV-HNNXBMFYSA-N 0 0 419.777 2.872 20 5 HFBDRN COC(=O)c1cc(Cl)cc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1O ZINC000804902460 1078757907 /nfs/dbraw/zinc/75/79/07/1078757907.db2.gz HEWFDZJWWUWOLP-UHFFFAOYSA-N 0 0 404.766 2.729 20 5 HFBDRN Cc1nc(S(=O)(=O)Oc2cc(Cl)ccc2[N+](=O)[O-])c(Br)n1C ZINC000804970060 1078806936 /nfs/dbraw/zinc/80/69/36/1078806936.db2.gz PUINIOWRGGMZKT-UHFFFAOYSA-N 0 0 410.633 2.820 20 5 HFBDRN O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747225437 1078840693 /nfs/dbraw/zinc/84/06/93/1078840693.db2.gz MFAPCARACTYWGL-AWEZNQCLSA-N 0 0 400.309 2.722 20 5 HFBDRN Cc1nc(S(=O)(=O)Oc2cc(C)c([N+](=O)[O-])cc2F)c(Br)n1C ZINC000805067896 1078877642 /nfs/dbraw/zinc/87/76/42/1078877642.db2.gz AKSFNOVJFLVOTC-UHFFFAOYSA-N 0 0 408.205 2.614 20 5 HFBDRN CC(C)SCCNS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000805105450 1078888923 /nfs/dbraw/zinc/88/89/23/1078888923.db2.gz WVVYIYJJKUJTDP-UHFFFAOYSA-N 0 0 401.279 2.916 20 5 HFBDRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000805121812 1078904000 /nfs/dbraw/zinc/90/40/00/1078904000.db2.gz VTPYFPGBJCVKIE-CQSZACIVSA-N 0 0 420.365 2.634 20 5 HFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121509 1078905234 /nfs/dbraw/zinc/90/52/34/1078905234.db2.gz FOENHOQBFSTNEI-CYBMUJFWSA-N 0 0 420.365 2.634 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 ZINC000805132871 1078930539 /nfs/dbraw/zinc/93/05/39/1078930539.db2.gz SLGPYUGSDNABPN-KBPBESRZSA-N 0 0 413.496 2.888 20 5 HFBDRN O=C(COCc1cccnc1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000805175406 1078961395 /nfs/dbraw/zinc/96/13/95/1078961395.db2.gz FQVFCHRDNZCCEJ-UHFFFAOYSA-N 0 0 424.379 2.874 20 5 HFBDRN CCN(CCOc1ccccc1C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC001130110559 1078966793 /nfs/dbraw/zinc/96/67/93/1078966793.db2.gz LROAWCJRLQSTDM-UHFFFAOYSA-N 0 0 413.430 2.556 20 5 HFBDRN CNC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccc(OC)c(F)c1 ZINC001130131079 1078985367 /nfs/dbraw/zinc/98/53/67/1078985367.db2.gz MEFAJGXTRYYKTG-ZDUSSCGKSA-N 0 0 423.828 2.731 20 5 HFBDRN C[C@@H](OCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)c1nccn1C ZINC000805209759 1078988200 /nfs/dbraw/zinc/98/82/00/1078988200.db2.gz AHOBMISAYPCQRM-LLVKDONJSA-N 0 0 423.267 2.753 20 5 HFBDRN Cn1ncc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000805212542 1078989403 /nfs/dbraw/zinc/98/94/03/1078989403.db2.gz LYCHCYLGARMBIF-UHFFFAOYSA-N 0 0 414.809 2.559 20 5 HFBDRN Cn1ncc(CNC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2Cl)n1 ZINC000805215088 1078989432 /nfs/dbraw/zinc/98/94/32/1078989432.db2.gz DQZCHUQKVHTIJV-UHFFFAOYSA-N 0 0 400.826 2.919 20 5 HFBDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000805268778 1079003058 /nfs/dbraw/zinc/00/30/58/1079003058.db2.gz PCYVGRCKLXKDCU-WFASDCNBSA-N 0 0 422.438 2.950 20 5 HFBDRN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001130175171 1079034746 /nfs/dbraw/zinc/03/47/46/1079034746.db2.gz DSYQPEZKAHRKPC-UHFFFAOYSA-N 0 0 415.719 2.840 20 5 HFBDRN O=C(OCc1ncsc1Br)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001130176857 1079035632 /nfs/dbraw/zinc/03/56/32/1079035632.db2.gz DXSUEWJKRJKUSR-UHFFFAOYSA-N 0 0 401.194 2.942 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000805411088 1079072626 /nfs/dbraw/zinc/07/26/26/1079072626.db2.gz OSXCEOZIJNGDBA-QGZVFWFLSA-N 0 0 415.450 2.911 20 5 HFBDRN Cn1cc([N+](=O)[O-])c(C(=O)N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)n1 ZINC000805478182 1079092572 /nfs/dbraw/zinc/09/25/72/1079092572.db2.gz SDBRESPCPGSVRX-UHFFFAOYSA-N 0 0 409.487 2.876 20 5 HFBDRN CSc1cccc(C(=O)OCCOc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000805533704 1079103397 /nfs/dbraw/zinc/10/33/97/1079103397.db2.gz UHARFKUEWDLKDS-UHFFFAOYSA-N 0 0 411.457 2.956 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000805485500 1079098221 /nfs/dbraw/zinc/09/82/21/1079098221.db2.gz MHBYEDXABSYKLZ-QMMMGPOBSA-N 0 0 402.197 2.671 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)c1 ZINC000747247180 1079107185 /nfs/dbraw/zinc/10/71/85/1079107185.db2.gz JISSFAONDUORGN-UHFFFAOYSA-N 0 0 423.399 2.553 20 5 HFBDRN CC(C)[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001130228513 1079113507 /nfs/dbraw/zinc/11/35/07/1079113507.db2.gz FQLKGJNCRXHEIW-AWEZNQCLSA-N 0 0 403.439 2.519 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000805541648 1079131629 /nfs/dbraw/zinc/13/16/29/1079131629.db2.gz OWWCHBGMVCKUIB-UHFFFAOYSA-N 0 0 413.835 2.816 20 5 HFBDRN COc1cc(COC(=O)C(=O)N2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000805563388 1079144614 /nfs/dbraw/zinc/14/46/14/1079144614.db2.gz WVLWXPOPWLZGNE-NSHDSACASA-N 0 0 416.377 2.549 20 5 HFBDRN O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001130263126 1079157028 /nfs/dbraw/zinc/15/70/28/1079157028.db2.gz FKTFUWSKMFYUHO-ZWNOBZJWSA-N 0 0 404.341 2.986 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)n1ccc2ccccc2c1=O ZINC000805628463 1079182886 /nfs/dbraw/zinc/18/28/86/1079182886.db2.gz IIPBXMKFWDZNKI-CQSZACIVSA-N 0 0 409.398 2.961 20 5 HFBDRN COc1cc(COC(=O)c2ccnc3c2ncn3C)c([N+](=O)[O-])cc1OCC(F)F ZINC000805673526 1079197865 /nfs/dbraw/zinc/19/78/65/1079197865.db2.gz BQURJAKNXWNEKI-UHFFFAOYSA-N 0 0 422.344 2.886 20 5 HFBDRN Cc1cnnn1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cc1 ZINC001130333328 1079222331 /nfs/dbraw/zinc/22/23/31/1079222331.db2.gz UDEWWICKROLNIU-ZDUSSCGKSA-N 0 0 424.392 2.615 20 5 HFBDRN O=C(NCCC[C@H]1CC1(Cl)Cl)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001130377749 1079253533 /nfs/dbraw/zinc/25/35/33/1079253533.db2.gz VUZFUGJPWUEMIE-WDEREUQCSA-N 0 0 404.250 2.883 20 5 HFBDRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001130402921 1079303539 /nfs/dbraw/zinc/30/35/39/1079303539.db2.gz GAWKYVVNDLJALN-QGZVFWFLSA-N 0 0 410.474 2.704 20 5 HFBDRN O=C(OCC1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CCN(CC(F)F)CC1 ZINC000805872908 1079315257 /nfs/dbraw/zinc/31/52/57/1079315257.db2.gz XMTRWJJXVFUKGA-UHFFFAOYSA-N 0 0 412.437 2.727 20 5 HFBDRN O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000805841845 1079320423 /nfs/dbraw/zinc/32/04/23/1079320423.db2.gz NUXYKKYXXMKRRX-UHFFFAOYSA-N 0 0 423.878 2.963 20 5 HFBDRN Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001130463789 1079366953 /nfs/dbraw/zinc/36/69/53/1079366953.db2.gz SWPSAQUQGXKRML-QGZVFWFLSA-N 0 0 417.429 2.623 20 5 HFBDRN C[C@H](OC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)C(=O)NCc1ccccn1 ZINC000805961734 1079376859 /nfs/dbraw/zinc/37/68/59/1079376859.db2.gz HBKSUUMIJPJPNV-LBPRGKRZSA-N 0 0 412.427 2.975 20 5 HFBDRN COc1c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC001130455491 1079379798 /nfs/dbraw/zinc/37/97/98/1079379798.db2.gz FCLUGSZDMRUZCU-LLVKDONJSA-N 0 0 407.345 2.789 20 5 HFBDRN CC(C)Oc1ccncc1COC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000806103015 1079431222 /nfs/dbraw/zinc/43/12/22/1079431222.db2.gz JMBVBUDMSPIMMX-AWEZNQCLSA-N 0 0 403.391 2.718 20 5 HFBDRN Cc1c(C(=O)OCCc2nnc(-c3ccccc3)o2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000806110920 1079440031 /nfs/dbraw/zinc/44/00/31/1079440031.db2.gz UJSDZCRXKJVODN-UHFFFAOYSA-N 0 0 420.385 2.933 20 5 HFBDRN COc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)c3ccncc23)cc1[N+](=O)[O-] ZINC001130528336 1079465055 /nfs/dbraw/zinc/46/50/55/1079465055.db2.gz MVESNHUFCIDZKK-UHFFFAOYSA-N 0 0 401.400 2.807 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001130529529 1079465845 /nfs/dbraw/zinc/46/58/45/1079465845.db2.gz VLVWMJURGOYYFP-UKRRQHHQSA-N 0 0 409.487 2.642 20 5 HFBDRN CC1CCN(c2ccc(C(=O)N3CCOC[C@@H]3c3ccnn3C)cc2[N+](=O)[O-])CC1 ZINC001130554847 1079497637 /nfs/dbraw/zinc/49/76/37/1079497637.db2.gz BMTFHYGSOWHVTD-HXUWFJFHSA-N 0 0 413.478 2.778 20 5 HFBDRN O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)OC1CCCCC1 ZINC000746671971 1076744544 /nfs/dbraw/zinc/74/45/44/1076744544.db2.gz NPHUTDKEPONWGB-UHFFFAOYSA-N 0 0 421.269 2.512 20 5 HFBDRN O=C(NC[C@H]1COC2(CCCCCC2)O1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787310659 1076756750 /nfs/dbraw/zinc/75/67/50/1076756750.db2.gz QJZJZBHPBFAVMK-INIZCTEOSA-N 0 0 407.471 2.604 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000787370439 1076777791 /nfs/dbraw/zinc/77/77/91/1076777791.db2.gz UUKZVTFRLPSCIH-IBGZPJMESA-N 0 0 422.441 2.743 20 5 HFBDRN CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000787358568 1076795723 /nfs/dbraw/zinc/79/57/23/1076795723.db2.gz ZFXDEQQBCLLPLU-UHFFFAOYSA-N 0 0 419.278 2.752 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787503065 1076828005 /nfs/dbraw/zinc/82/80/05/1076828005.db2.gz PNHHUYTWBAQWIA-CQSZACIVSA-N 0 0 415.393 2.733 20 5 HFBDRN O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787507219 1076829054 /nfs/dbraw/zinc/82/90/54/1076829054.db2.gz GAWXZCVLISCRLA-UHFFFAOYSA-N 0 0 416.346 2.634 20 5 HFBDRN O=C(c1cc(N2CCOC2=O)ccc1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787507282 1076829076 /nfs/dbraw/zinc/82/90/76/1076829076.db2.gz JNKKZARVCSEACV-UHFFFAOYSA-N 0 0 401.350 2.594 20 5 HFBDRN CCN(CCS(C)(=O)=O)C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000787469738 1076834243 /nfs/dbraw/zinc/83/42/43/1076834243.db2.gz BTRHVZLFKOPDHS-UHFFFAOYSA-N 0 0 406.460 2.681 20 5 HFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000787545099 1076855110 /nfs/dbraw/zinc/85/51/10/1076855110.db2.gz WGAMAUHNTIGVPO-IBGZPJMESA-N 0 0 420.425 2.829 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])cc1)O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787554389 1076858264 /nfs/dbraw/zinc/85/82/64/1076858264.db2.gz FQJRGSADVCUUAG-SFHVURJKSA-N 0 0 420.368 2.986 20 5 HFBDRN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCCOc1ncccc1C(F)(F)F ZINC000746691419 1076860604 /nfs/dbraw/zinc/86/06/04/1076860604.db2.gz WUBABXYPUQEBNS-UHFFFAOYSA-N 0 0 409.317 2.505 20 5 HFBDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000787593914 1076863804 /nfs/dbraw/zinc/86/38/04/1076863804.db2.gz VXEAFFVRZBXGPJ-GDBMZVCRSA-N 0 0 421.498 2.990 20 5 HFBDRN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C(=O)Nc1cccnc1Cl ZINC000787587311 1076874742 /nfs/dbraw/zinc/87/47/42/1076874742.db2.gz JJPBWTPKAVBFKE-UHFFFAOYSA-N 0 0 402.716 2.917 20 5 HFBDRN O=C(COc1cccc([N+](=O)[O-])c1)O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787635365 1076885670 /nfs/dbraw/zinc/88/56/70/1076885670.db2.gz XZKKYUMUUFPFKT-SFHVURJKSA-N 0 0 420.368 2.986 20 5 HFBDRN C[C@@H](OC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])c1nnnn1C1CCCCC1 ZINC000787702876 1076918786 /nfs/dbraw/zinc/91/87/86/1076918786.db2.gz GOJLWDFRJDQJCD-GFCCVEGCSA-N 0 0 403.395 2.582 20 5 HFBDRN C[C@H](NC(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000787740190 1076937274 /nfs/dbraw/zinc/93/72/74/1076937274.db2.gz QKRGMXISVZTLOB-FVMDXXJSSA-N 0 0 423.219 2.938 20 5 HFBDRN 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ZINC000746719499 1077014133 /nfs/dbraw/zinc/01/41/33/1077014133.db2.gz FXYQAGQERFPWTQ-UHFFFAOYSA-N 0 0 417.216 2.745 20 5 HFBDRN O=C(NCCc1ccc(F)c(F)c1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000787975211 1077015315 /nfs/dbraw/zinc/01/53/15/1077015315.db2.gz HEFLNFJTWZLAAA-LBPRGKRZSA-N 0 0 407.348 2.724 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)NC(=O)NCc2ccccc2)c1F ZINC000787937781 1077016599 /nfs/dbraw/zinc/01/65/99/1077016599.db2.gz CXLAQMGELVSUDR-GFCCVEGCSA-N 0 0 403.366 2.614 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1F ZINC000787941276 1077018434 /nfs/dbraw/zinc/01/84/34/1077018434.db2.gz YRUSNFMNGFJLCX-LLVKDONJSA-N 0 0 401.350 2.573 20 5 HFBDRN NC(=O)[C@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788040403 1077037313 /nfs/dbraw/zinc/03/73/13/1077037313.db2.gz DOXJVNQUNBYZEL-CYBMUJFWSA-N 0 0 411.187 2.845 20 5 HFBDRN NC(=O)[C@@H](NC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000788040406 1077037407 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HFBDRN C[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788642095 1077244131 /nfs/dbraw/zinc/24/41/31/1077244131.db2.gz BEASVHJSHDZLBR-HNNXBMFYSA-N 0 0 418.494 2.746 20 5 HFBDRN CCCN([C@@H](COC)C(=O)OCC)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000790909234 1077245022 /nfs/dbraw/zinc/24/50/22/1077245022.db2.gz RHUKZVIJMAOZGW-AWEZNQCLSA-N 0 0 422.887 2.535 20 5 HFBDRN C[C@@](O)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCCCC1 ZINC000790909218 1077245039 /nfs/dbraw/zinc/24/50/39/1077245039.db2.gz NXVWRTAMDNIZJS-OAHLLOKOSA-N 0 0 421.313 2.967 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)NCC2(CO)CC3(CCC3)C2)ccc1Br ZINC000788686794 1077251124 /nfs/dbraw/zinc/25/11/24/1077251124.db2.gz FXZFFWHZLSTGQD-UHFFFAOYSA-N 0 0 419.297 2.578 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCNC(=O)[C@H]1c1ccccc1F ZINC000790958300 1077254591 /nfs/dbraw/zinc/25/45/91/1077254591.db2.gz AGRGLKYHTKLAKO-QGZVFWFLSA-N 0 0 409.776 2.769 20 5 HFBDRN 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Cc1c(CNC(=O)[C@H](c2cnn(C)c2)N(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000791016879 1077273097 /nfs/dbraw/zinc/27/30/97/1077273097.db2.gz ZQBXCHXBZJBGMM-KRWDZBQOSA-N 0 0 417.466 2.861 20 5 HFBDRN Cc1c(CNC(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)cccc1[N+](=O)[O-] ZINC000791019738 1077273589 /nfs/dbraw/zinc/27/35/89/1077273589.db2.gz CFQSPGFFLBHTFZ-UHFFFAOYSA-N 0 0 409.439 2.659 20 5 HFBDRN CC(C)(C)C(=O)NC1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000788727625 1077273623 /nfs/dbraw/zinc/27/36/23/1077273623.db2.gz YBACHTPXEJTNMR-UHFFFAOYSA-N 0 0 416.522 2.965 20 5 HFBDRN O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000791019164 1077273894 /nfs/dbraw/zinc/27/38/94/1077273894.db2.gz QPGKJZJQJNIYQG-VCTAVGKDSA-N 0 0 402.325 2.989 20 5 HFBDRN COC(=O)Nc1ccc(S(=O)(=O)N2CCSC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000788697009 1077275291 /nfs/dbraw/zinc/27/52/91/1077275291.db2.gz DMVJPQRAOMRQIF-UHFFFAOYSA-N 0 0 403.482 2.679 20 5 HFBDRN COC(=O)/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)CN1CCC(=O)CC1 ZINC000788732403 1077284367 /nfs/dbraw/zinc/28/43/67/1077284367.db2.gz PMUMCEDMWYVTQV-ZROIWOOFSA-N 0 0 401.444 2.940 20 5 HFBDRN COC(=O)/C(=C/c1csc(-c2cccc([N+](=O)[O-])c2)n1)CN1CCC(=O)CC1 ZINC000788732402 1077284424 /nfs/dbraw/zinc/28/44/24/1077284424.db2.gz PMUMCEDMWYVTQV-NTEUORMPSA-N 0 0 401.444 2.940 20 5 HFBDRN CCOC(=O)[C@@H]1[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738901 1077286225 /nfs/dbraw/zinc/28/62/25/1077286225.db2.gz MCQMDHHPLJUOLG-RDJZCZTQSA-N 0 0 423.466 2.634 20 5 HFBDRN O=C(O[C@@H]1CCN(C2CCOCC2)C1=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000746968274 1077286430 /nfs/dbraw/zinc/28/64/30/1077286430.db2.gz AUUNBRFRTNULLJ-MRXNPFEDSA-N 0 0 417.443 2.655 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000746973412 1077302941 /nfs/dbraw/zinc/30/29/41/1077302941.db2.gz QGWFAOKCHOQEEQ-AWEZNQCLSA-N 0 0 414.436 2.692 20 5 HFBDRN 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2.998 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)Nc2cccc(OCCn3cncn3)c2)cc1[N+](=O)[O-] ZINC000791331240 1077376607 /nfs/dbraw/zinc/37/66/07/1077376607.db2.gz RICARLORDKICPQ-UHFFFAOYSA-N 0 0 414.397 2.723 20 5 HFBDRN CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)c1nnc2ccccn21 ZINC000791310498 1077382623 /nfs/dbraw/zinc/38/26/23/1077382623.db2.gz ZMOYUFRPQXWJPO-CYBMUJFWSA-N 0 0 404.427 2.583 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)O[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789035110 1077390381 /nfs/dbraw/zinc/39/03/81/1077390381.db2.gz DISOSGGASKUNBK-MRXNPFEDSA-N 0 0 400.435 2.764 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CSC[C@@H]1C(=O)Nc1cccc(F)c1 ZINC000791351678 1077390969 /nfs/dbraw/zinc/39/09/69/1077390969.db2.gz RGOSDESYODEOBW-OAHLLOKOSA-N 0 0 408.386 2.609 20 5 HFBDRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791352824 1077391307 /nfs/dbraw/zinc/39/13/07/1077391307.db2.gz YEQGKQJRGRFXCC-OAHLLOKOSA-N 0 0 416.453 2.679 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)NCCCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000791361546 1077393580 /nfs/dbraw/zinc/39/35/80/1077393580.db2.gz TXVFTANJGLKLDV-UHFFFAOYSA-N 0 0 414.437 2.852 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000791361617 1077393640 /nfs/dbraw/zinc/39/36/40/1077393640.db2.gz WZLBRDRKMLOKLT-WBVHZDCISA-N 0 0 416.430 2.537 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000791361323 1077393714 /nfs/dbraw/zinc/39/37/14/1077393714.db2.gz XOONCPPXFVDSNZ-AWEZNQCLSA-N 0 0 420.828 2.989 20 5 HFBDRN CN(C)c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)cn1 ZINC000791420708 1077395115 /nfs/dbraw/zinc/39/51/15/1077395115.db2.gz PZDFIUFVXVREJP-UHFFFAOYSA-N 0 0 405.263 2.841 20 5 HFBDRN Nc1ncc([N+](=O)[O-])cc1C(=O)O[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000789078736 1077398696 /nfs/dbraw/zinc/39/86/96/1077398696.db2.gz GEDPBSWBCNCPPR-ZDUSSCGKSA-N 0 0 411.201 2.841 20 5 HFBDRN 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ZINC000791481804 1077422400 /nfs/dbraw/zinc/42/24/00/1077422400.db2.gz LQDSYTBLTYGBQP-OAHLLOKOSA-N 0 0 410.492 2.813 20 5 HFBDRN Cc1c(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000791492745 1077431639 /nfs/dbraw/zinc/43/16/39/1077431639.db2.gz CPTNCORSIGHNKJ-CYBMUJFWSA-N 0 0 423.372 2.979 20 5 HFBDRN O=C(c1nc(Br)ccc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000791459736 1077434073 /nfs/dbraw/zinc/43/40/73/1077434073.db2.gz FUJNOMBCPXIVCI-UHFFFAOYSA-N 0 0 409.215 2.854 20 5 HFBDRN C[C@H](OC(=O)c1ccn(CC(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000789151947 1077436522 /nfs/dbraw/zinc/43/65/22/1077436522.db2.gz YZHISMARTKEQAI-QMMMGPOBSA-N 0 0 402.741 2.894 20 5 HFBDRN O=C(COC(=O)c1ccnn1CC(F)F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000789159286 1077437869 /nfs/dbraw/zinc/43/78/69/1077437869.db2.gz RHQDPYFYZKNKIC-UHFFFAOYSA-N 0 0 422.266 2.871 20 5 HFBDRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000791536117 1077457395 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418.498 2.523 20 5 HFBDRN CCOC(=O)C1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000791832415 1077577515 /nfs/dbraw/zinc/57/75/15/1077577515.db2.gz GKNWRWKUISIHBF-ZDUSSCGKSA-N 0 0 423.491 2.501 20 5 HFBDRN CCOC(=O)C1(CNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CCCC1 ZINC000791831724 1077577967 /nfs/dbraw/zinc/57/79/67/1077577967.db2.gz QZGWORQFSQJDFT-UHFFFAOYSA-N 0 0 401.419 2.762 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000791839021 1077580667 /nfs/dbraw/zinc/58/06/67/1077580667.db2.gz QHWFZDQALQOTOD-NSHDSACASA-N 0 0 421.284 2.710 20 5 HFBDRN CCOC(=O)C1(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000791842814 1077582280 /nfs/dbraw/zinc/58/22/80/1077582280.db2.gz ABPDPZAGEZQDDY-UHFFFAOYSA-N 0 0 400.435 2.849 20 5 HFBDRN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791866170 1077591940 /nfs/dbraw/zinc/59/19/40/1077591940.db2.gz UQQGCVQQKBEMFK-CQSZACIVSA-N 0 0 411.436 2.884 20 5 HFBDRN 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O=[N+]([O-])c1ccc(COc2c(CO)cc(Br)cc2CO)c([N+](=O)[O-])c1 ZINC000789574752 1077657836 /nfs/dbraw/zinc/65/78/36/1077657836.db2.gz DSWNJVMIADDJGA-UHFFFAOYSA-N 0 0 413.180 2.829 20 5 HFBDRN CCOC(=O)[C@@H](NCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000789582077 1077665679 /nfs/dbraw/zinc/66/56/79/1077665679.db2.gz VBXXUPNKGUHMLZ-WFASDCNBSA-N 0 0 401.257 2.805 20 5 HFBDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000792101340 1077696373 /nfs/dbraw/zinc/69/63/73/1077696373.db2.gz MERZJYKWTXWWKR-IBGZPJMESA-N 0 0 411.414 2.613 20 5 HFBDRN COC(=O)c1ccc(C)c(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000789627781 1077699414 /nfs/dbraw/zinc/69/94/14/1077699414.db2.gz ICFUGHZVUQHWRR-UHFFFAOYSA-N 0 0 414.414 2.883 20 5 HFBDRN COC(=O)c1ccc(C)c(COC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000789627784 1077699551 /nfs/dbraw/zinc/69/95/51/1077699551.db2.gz IEPVYUFCKHWRSF-OAHLLOKOSA-N 0 0 416.386 2.631 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC000792086768 1077709526 /nfs/dbraw/zinc/70/95/26/1077709526.db2.gz SYWNDDRYRMEXMB-UHFFFAOYSA-N 0 0 414.395 2.586 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2cc(Br)ncc2[N+](=O)[O-])cc1 ZINC000792088163 1077711167 /nfs/dbraw/zinc/71/11/67/1077711167.db2.gz QINJPOKDGBDCGP-UHFFFAOYSA-N 0 0 415.221 2.513 20 5 HFBDRN CS(=O)(=O)c1cccc(C(=O)COC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000792089318 1077711551 /nfs/dbraw/zinc/71/15/51/1077711551.db2.gz URSGLRYAWDLODC-UHFFFAOYSA-N 0 0 402.384 2.519 20 5 HFBDRN O=C(O[C@H]([C@H]1CCCOC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000789642434 1077715767 /nfs/dbraw/zinc/71/57/67/1077715767.db2.gz AFHWYGSJCAFFHW-BLLLJJGKSA-N 0 0 418.368 2.946 20 5 HFBDRN COc1ccc(OC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000792123740 1077728961 /nfs/dbraw/zinc/72/89/61/1077728961.db2.gz OLVJOAZNSSXEQQ-GOSISDBHSA-N 0 0 421.409 2.945 20 5 HFBDRN COc1ccc(OC(=O)[C@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1[N+](=O)[O-] ZINC000792125810 1077730275 /nfs/dbraw/zinc/73/02/75/1077730275.db2.gz WZFOGPXQFLHSTA-KRWDZBQOSA-N 0 0 415.377 2.877 20 5 HFBDRN NS(=O)(=O)c1ccc2c(c1)N(Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000792174373 1077734463 /nfs/dbraw/zinc/73/44/63/1077734463.db2.gz GNDHITMRQKDZKT-UHFFFAOYSA-N 0 0 412.265 2.567 20 5 HFBDRN CN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789711351 1077750182 /nfs/dbraw/zinc/75/01/82/1077750182.db2.gz KCSIOLBKZIIHGC-FQEVSTJZSA-N 0 0 419.441 2.654 20 5 HFBDRN Cn1c(COC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)nnc1-c1ccc(F)cc1 ZINC000789714426 1077752563 /nfs/dbraw/zinc/75/25/63/1077752563.db2.gz AECAFQGVIQEYIH-UHFFFAOYSA-N 0 0 410.365 2.623 20 5 HFBDRN COc1cc(C(=O)OCc2nnc(-c3ccc(F)cc3)n2C)c([N+](=O)[O-])cc1OC ZINC000789717001 1077754770 /nfs/dbraw/zinc/75/47/70/1077754770.db2.gz UOORJZSTLDWRKP-UHFFFAOYSA-N 0 0 416.365 2.904 20 5 HFBDRN Cc1cc(C)c(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)c(C)c1 ZINC000789725300 1077760298 /nfs/dbraw/zinc/76/02/98/1077760298.db2.gz JIFYEQVUOJSLHM-KRWDZBQOSA-N 0 0 412.402 2.964 20 5 HFBDRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000789735719 1077771737 /nfs/dbraw/zinc/77/17/37/1077771737.db2.gz RKPQQWUUVADKDN-OAHLLOKOSA-N 0 0 416.478 2.500 20 5 HFBDRN CCCc1[nH]nc(-c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)c1[N+](=O)[O-] ZINC000789741844 1077775545 /nfs/dbraw/zinc/77/55/45/1077775545.db2.gz FXPUYUMFTKXHLY-NSHDSACASA-N 0 0 408.415 2.629 20 5 HFBDRN CCOC(=O)c1sc2ncn(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)c2c1C ZINC000789749950 1077781733 /nfs/dbraw/zinc/78/17/33/1077781733.db2.gz LXANGNRXIHIORF-UHFFFAOYSA-N 0 0 418.387 2.808 20 5 HFBDRN C[C@@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC(F)F)cc1 ZINC000789841682 1077817594 /nfs/dbraw/zinc/81/75/94/1077817594.db2.gz KPTXLPPLHDECLL-LLVKDONJSA-N 0 0 422.340 2.741 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000747067111 1077826427 /nfs/dbraw/zinc/82/64/27/1077826427.db2.gz AYECLXODWSNMLX-ZDUSSCGKSA-N 0 0 409.439 2.888 20 5 HFBDRN O=C(CN1CCC(Oc2ccc(F)nc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000792386896 1077829826 /nfs/dbraw/zinc/82/98/26/1077829826.db2.gz WNVBIFVNOUNEDH-UHFFFAOYSA-N 0 0 400.410 2.561 20 5 HFBDRN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000789850637 1077838492 /nfs/dbraw/zinc/83/84/92/1077838492.db2.gz MKDGNLYFALMGRE-HNNXBMFYSA-N 0 0 417.374 2.854 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCc1nnc(C(C)C)o1 ZINC000747070424 1077845088 /nfs/dbraw/zinc/84/50/88/1077845088.db2.gz PORBXCISLCMGFW-NSHDSACASA-N 0 0 406.395 2.613 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000747070108 1077846282 /nfs/dbraw/zinc/84/62/82/1077846282.db2.gz ZOCFJYNIZZMKTM-CJNGLKHVSA-N 0 0 421.450 2.746 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000747071560 1077846304 /nfs/dbraw/zinc/84/63/04/1077846304.db2.gz QHHMRQALVDLKGG-CHWSQXEVSA-N 0 0 409.439 2.968 20 5 HFBDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000747071561 1077847696 /nfs/dbraw/zinc/84/76/96/1077847696.db2.gz QHHMRQALVDLKGG-OLZOCXBDSA-N 0 0 409.439 2.968 20 5 HFBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c(C(N)=O)cc1OC ZINC000746862883 1077856195 /nfs/dbraw/zinc/85/61/95/1077856195.db2.gz YCPIITXYJZCQBJ-UHFFFAOYSA-N 0 0 413.308 2.982 20 5 HFBDRN COc1ccc(Cn2nnnc2SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000789903134 1077856366 /nfs/dbraw/zinc/85/63/66/1077856366.db2.gz GKOMGWXOGARQFO-UHFFFAOYSA-N 0 0 402.392 2.839 20 5 HFBDRN N=C(N)N(c1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])cc(Br)n1 ZINC001170167265 1077876781 /nfs/dbraw/zinc/87/67/81/1077876781.db2.gz XWZHTFDEWPZFLH-UHFFFAOYSA-N 0 0 421.255 2.620 20 5 HFBDRN CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@@H](O)c1ccccc1 ZINC000792567738 1077906966 /nfs/dbraw/zinc/90/69/66/1077906966.db2.gz QFRKUPQGZUNMHU-ROUUACIJSA-N 0 0 406.460 2.630 20 5 HFBDRN CCC[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000792567624 1077907203 /nfs/dbraw/zinc/90/72/03/1077907203.db2.gz VBPOJNSENGGFIU-DNVCBOLYSA-N 0 0 419.865 2.997 20 5 HFBDRN COCCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)CC1 ZINC000790041384 1077908317 /nfs/dbraw/zinc/90/83/17/1077908317.db2.gz OMNMXGUIKSRXEM-UHFFFAOYSA-N 0 0 407.286 2.761 20 5 HFBDRN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC001170238011 1077914354 /nfs/dbraw/zinc/91/43/54/1077914354.db2.gz DGBHTYGHRCAIBT-MJEQTWJJSA-N 0 0 424.498 2.686 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccccc1O ZINC000790025895 1077918734 /nfs/dbraw/zinc/91/87/34/1077918734.db2.gz HXPNIWUJOYVMTN-UHFFFAOYSA-N 0 0 415.265 2.892 20 5 HFBDRN CCc1[nH]nc(C(=O)OCc2nc3sc4c(c3c(N)n2)CCCC4)c1[N+](=O)[O-] ZINC000790072972 1077922680 /nfs/dbraw/zinc/92/26/80/1077922680.db2.gz GLFVRXKWNGIKQX-UHFFFAOYSA-N 0 0 402.436 2.703 20 5 HFBDRN C[C@@H](OC(=O)[C@H]1CCCCN1Cc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000790075907 1077923781 /nfs/dbraw/zinc/92/37/81/1077923781.db2.gz LHZFQKXCOAWMMS-DNVCBOLYSA-N 0 0 412.446 2.915 20 5 HFBDRN O=C(COC(=O)[C@H]1CCCCN1Cc1ccccn1)Nc1cc([N+](=O)[O-])ccc1F ZINC000790076069 1077924129 /nfs/dbraw/zinc/92/41/29/1077924129.db2.gz DMLOLPSSZRHWBP-GOSISDBHSA-N 0 0 416.409 2.665 20 5 HFBDRN COC(=O)c1ccc(S(=O)(=O)Oc2cccnc2[N+](=O)[O-])cc1C(F)(F)F ZINC000790116653 1077943511 /nfs/dbraw/zinc/94/35/11/1077943511.db2.gz YYMRXEQIIMNSCT-UHFFFAOYSA-N 0 0 406.294 2.563 20 5 HFBDRN COC(=O)[C@H](Cc1ccc(Cl)cn1)N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326080 1077944083 /nfs/dbraw/zinc/94/40/83/1077944083.db2.gz DCFMJKRFBWIGKQ-SJCJKPOMSA-N 0 0 407.854 2.957 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)c([N+](=O)[O-])c1 ZINC001170334366 1077946512 /nfs/dbraw/zinc/94/65/12/1077946512.db2.gz CPIFAFQKODOGMA-NIKGAXFTSA-N 0 0 421.494 2.855 20 5 HFBDRN COC(=O)c1cc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)c([N+](=O)[O-])c1 ZINC000792626756 1077946978 /nfs/dbraw/zinc/94/69/78/1077946978.db2.gz AAHRABHUCPPRRB-UHFFFAOYSA-N 0 0 413.308 2.509 20 5 HFBDRN COC(=O)CC[C@H](N[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001170307873 1077948028 /nfs/dbraw/zinc/94/80/28/1077948028.db2.gz JPNDEYZDCXBQCJ-BBRMVZONSA-N 0 0 410.467 2.788 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2F)c1OC ZINC000790151128 1077965695 /nfs/dbraw/zinc/96/56/95/1077965695.db2.gz MYUMQGLFENUYTR-UHFFFAOYSA-N 0 0 419.770 2.950 20 5 HFBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CC(c2cccnc2)=NO1 ZINC000790196954 1077967998 /nfs/dbraw/zinc/96/79/98/1077967998.db2.gz DORLRAYMQAUDPG-INIZCTEOSA-N 0 0 423.351 2.730 20 5 HFBDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000792711550 1077972124 /nfs/dbraw/zinc/97/21/24/1077972124.db2.gz AOSYCLKRZARGML-OHZJNBGDSA-N 0 0 421.504 2.851 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Oc2cc(F)cc([N+](=O)[O-])c2)c1OC ZINC000790241165 1077974651 /nfs/dbraw/zinc/97/46/51/1077974651.db2.gz JGKQFWMFCDBMJU-UHFFFAOYSA-N 0 0 419.770 2.950 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3C)cc2CC1 ZINC000790242546 1077975144 /nfs/dbraw/zinc/97/51/44/1077975144.db2.gz NQODDEGWJOLYPQ-UHFFFAOYSA-N 0 0 404.444 2.618 20 5 HFBDRN C[C@H]1OCC[C@@]12CN(c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000790289534 1077986806 /nfs/dbraw/zinc/98/68/06/1077986806.db2.gz KDSZZQWNFRDJLC-UEKVPHQBSA-N 0 0 424.397 2.661 20 5 HFBDRN COc1cc(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)cc([N+](=O)[O-])c1C ZINC000790296958 1077988672 /nfs/dbraw/zinc/98/86/72/1077988672.db2.gz VEXVVQRYWZRWTL-GFCCVEGCSA-N 0 0 407.448 2.774 20 5 HFBDRN Cn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccs1 ZINC000792728780 1077989187 /nfs/dbraw/zinc/98/91/87/1077989187.db2.gz NXENXSQGQNYDDN-UHFFFAOYSA-N 0 0 403.445 2.501 20 5 HFBDRN C[C@H](CNC(=O)OC(C)(C)C)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000790270086 1077992006 /nfs/dbraw/zinc/99/20/06/1077992006.db2.gz IPLYHPUWXLKIKH-HNNXBMFYSA-N 0 0 408.499 3.000 20 5 HFBDRN O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000792792933 1077993112 /nfs/dbraw/zinc/99/31/12/1077993112.db2.gz VRXKBIYKWWSUOX-IBGZPJMESA-N 0 0 404.806 2.650 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)NOCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000792780479 1077999501 /nfs/dbraw/zinc/99/95/01/1077999501.db2.gz QMBLUOADNGFDDI-UHFFFAOYSA-N 0 0 400.435 2.957 20 5 HFBDRN O=C(COC(=O)c1n[nH]c2ccc(Cl)cc21)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000792806559 1078000806 /nfs/dbraw/zinc/00/08/06/1078000806.db2.gz HWQLHSBGAFOVOE-UHFFFAOYSA-N 0 0 418.749 2.649 20 5 HFBDRN O=C(Nc1cccc(F)c1)OC1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000790350045 1078001078 /nfs/dbraw/zinc/00/10/78/1078001078.db2.gz AGTJWPJGUIAAEU-UHFFFAOYSA-N 0 0 423.422 2.539 20 5 HFBDRN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1ccc([N+](=O)[O-])cc1F ZINC000746900640 1078001624 /nfs/dbraw/zinc/00/16/24/1078001624.db2.gz XVHSVYCDTYOAGF-UHFFFAOYSA-N 0 0 416.814 2.799 20 5 HFBDRN Nc1ccccc1S(=O)(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790364785 1078006590 /nfs/dbraw/zinc/00/65/90/1078006590.db2.gz BESZNKPDTRGBDO-UHFFFAOYSA-N 0 0 412.265 2.687 20 5 HFBDRN COC(=O)[C@@H](C)N(Cc1ccccc1)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000790389327 1078012842 /nfs/dbraw/zinc/01/28/42/1078012842.db2.gz WIXKSUYXBAHNJU-CYBMUJFWSA-N 0 0 410.423 2.795 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OC3COC3)cc2)c(C)c1[N+](=O)[O-] ZINC000790403498 1078018773 /nfs/dbraw/zinc/01/87/73/1078018773.db2.gz KSPONAVIJJQSGC-UHFFFAOYSA-N 0 0 423.403 2.698 20 5 HFBDRN CCNC(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000790427873 1078024192 /nfs/dbraw/zinc/02/41/92/1078024192.db2.gz DPAYTZGOQPEEDK-LBPRGKRZSA-N 0 0 403.888 2.626 20 5 HFBDRN CC1(C)NC(=O)N(c2cccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c2)C1=O ZINC000790442716 1078032971 /nfs/dbraw/zinc/03/29/71/1078032971.db2.gz NBSAWGKUVPSRSC-UHFFFAOYSA-N 0 0 404.329 2.960 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)cc1[N+](=O)[O-] ZINC000792953032 1078034172 /nfs/dbraw/zinc/03/41/72/1078034172.db2.gz YZXYVZHGRPINCR-UHFFFAOYSA-N 0 0 422.445 2.728 20 5 HFBDRN CN(Cc1cccc(C(N)=O)c1)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000792966339 1078037616 /nfs/dbraw/zinc/03/76/16/1078037616.db2.gz YRVRJDHWODLGMS-UHFFFAOYSA-N 0 0 412.446 2.588 20 5 HFBDRN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000747095486 1078039248 /nfs/dbraw/zinc/03/92/48/1078039248.db2.gz SRAWRARKQTVVFA-AWEZNQCLSA-N 0 0 424.473 2.587 20 5 HFBDRN COC(=O)[C@@H]1CC12CCN(C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC2 ZINC000792987280 1078041434 /nfs/dbraw/zinc/04/14/34/1078041434.db2.gz VYKNHDICBBGVGX-HNNXBMFYSA-N 0 0 417.462 2.633 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3nc(C(C)(C)C)co3)cc2[N+](=O)[O-])CC1 ZINC001130570881 1079526958 /nfs/dbraw/zinc/52/69/58/1079526958.db2.gz ZWVLQCRMDPGMQP-UHFFFAOYSA-N 0 0 415.450 2.801 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCCN(C(=O)Nc1ccncc1[N+](=O)[O-])C2 ZINC000806379763 1079628311 /nfs/dbraw/zinc/62/83/11/1079628311.db2.gz DBCOPXIDRXYNJJ-IBGZPJMESA-N 0 0 405.455 2.667 20 5 HFBDRN COC(=O)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@H]1CCC[C@@H](OC)C1 ZINC001130630434 1079710436 /nfs/dbraw/zinc/71/04/36/1079710436.db2.gz AQTFPPNYICNHEX-PMUMKWKESA-N 0 0 415.446 2.807 20 5 HFBDRN CCNC(=O)OC[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000806459229 1079731731 /nfs/dbraw/zinc/73/17/31/1079731731.db2.gz BUJKOJDCAFXHFT-AWEZNQCLSA-N 0 0 422.438 2.822 20 5 HFBDRN O=C1COC[C@H](C[C@@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)N1 ZINC000806596257 1079838919 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401.423 2.591 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3ccc(C(OC)OC)o3)CC2)ccc1[N+](=O)[O-] ZINC000807451871 1080632240 /nfs/dbraw/zinc/63/22/40/1080632240.db2.gz WFYIUKFHWIFIMG-UHFFFAOYSA-N 0 0 419.434 2.840 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000807506625 1080709605 /nfs/dbraw/zinc/70/96/05/1080709605.db2.gz HHUGVGVBNNYAPQ-KGLIPLIRSA-N 0 0 417.437 2.994 20 5 HFBDRN Cc1cc(Br)c(NC(=O)C(=O)NC[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000807520632 1080773732 /nfs/dbraw/zinc/77/37/32/1080773732.db2.gz JOOMYDRBICRFMT-JTQLQIEISA-N 0 0 416.297 2.864 20 5 HFBDRN COc1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1[N+](=O)[O-] ZINC000426719428 1126082014 /nfs/dbraw/zinc/08/20/14/1126082014.db2.gz GMUAQZHKQCZDSQ-OAHLLOKOSA-N 0 0 402.403 2.550 20 5 HFBDRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2 ZINC001164434561 718974108 /nfs/dbraw/zinc/97/41/08/718974108.db2.gz TUZLECYGLFCUFL-DOMZBBRYSA-N 0 0 405.785 2.737 20 5 HFBDRN O=[N+]([O-])c1ccc(C(F)(F)N2CCc3nnc(Cn4cccc4)n3CC2)nc1Cl ZINC001164713724 720089699 /nfs/dbraw/zinc/08/96/99/720089699.db2.gz TXHVUFXCBFAAHH-UHFFFAOYSA-N 0 0 423.811 2.692 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@H]2CCCO[C@@H]12 ZINC001164803368 721588315 /nfs/dbraw/zinc/58/83/15/721588315.db2.gz HUHKZGFWMNHQMR-QKNQBKEWSA-N 0 0 420.473 2.801 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)[C@@H]2CCCO[C@H]12 ZINC001164803369 721588445 /nfs/dbraw/zinc/58/84/45/721588445.db2.gz HUHKZGFWMNHQMR-SBHAEUEKSA-N 0 0 420.473 2.801 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc4ccc([N+](=O)[O-])cc4n3)C[C@@H]21 ZINC001164941022 721942083 /nfs/dbraw/zinc/94/20/83/721942083.db2.gz DLIHQJFNPGKFAR-VQTJNVASSA-N 0 0 409.446 2.837 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC001164948592 721951050 /nfs/dbraw/zinc/95/10/50/721951050.db2.gz RQNOHIBDDXKOGZ-VQTJNVASSA-N 0 0 409.446 2.837 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC001164948593 721951279 /nfs/dbraw/zinc/95/12/79/721951279.db2.gz RQNOHIBDDXKOGZ-WOJBJXKFSA-N 0 0 409.446 2.837 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC001164942474 721963217 /nfs/dbraw/zinc/96/32/17/721963217.db2.gz CFRDUALDHVCOLF-WOJBJXKFSA-N 0 0 409.446 2.837 20 5 HFBDRN O=C1NCCN(Cc2ccccc2)C12CCN(c1cc(Cl)ncc1[N+](=O)[O-])CC2 ZINC001164944983 721970345 /nfs/dbraw/zinc/97/03/45/721970345.db2.gz LUQWTDDBYLHLQF-UHFFFAOYSA-N 0 0 415.881 2.614 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC[C@@H]32)cs1 ZINC001164987122 722174810 /nfs/dbraw/zinc/17/48/10/722174810.db2.gz MWPZQVXZQOTFAS-ZFWWWQNUSA-N 0 0 424.914 2.673 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)ncc4[N+](=O)[O-])CC[C@H]32)cs1 ZINC001164987121 722174844 /nfs/dbraw/zinc/17/48/44/722174844.db2.gz MWPZQVXZQOTFAS-UKRRQHHQSA-N 0 0 424.914 2.673 20 5 HFBDRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc([N+](=O)[O-])cc4C)CC[C@@H]32)cs1 ZINC001164987518 722175200 /nfs/dbraw/zinc/17/52/00/722175200.db2.gz OBBOSZRMBVEMDS-ZWKOTPCHSA-N 0 0 403.508 2.933 20 5 HFBDRN CS[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000792995468 1078043626 /nfs/dbraw/zinc/04/36/26/1078043626.db2.gz KFVNDPYGGJPEJB-SKDRFNHKSA-N 0 0 402.270 2.696 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC1CCN(C(=O)c2ccncc2)CC1 ZINC000790538159 1078045648 /nfs/dbraw/zinc/04/56/48/1078045648.db2.gz DNVOBHZRZGAYIB-UHFFFAOYSA-N 0 0 420.828 2.746 20 5 HFBDRN CS(=O)(=O)Nc1cccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790524376 1078050474 /nfs/dbraw/zinc/05/04/74/1078050474.db2.gz KNNQZUSBFRKJNE-UHFFFAOYSA-N 0 0 401.803 2.940 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000790527377 1078051287 /nfs/dbraw/zinc/05/12/87/1078051287.db2.gz CGKVSLIGSYVHRX-UHFFFAOYSA-N 0 0 421.812 2.620 20 5 HFBDRN COc1ccc(OC)c([C@H](O)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790529662 1078051802 /nfs/dbraw/zinc/05/18/02/1078051802.db2.gz FVAKDAHLSSPJOT-MRXNPFEDSA-N 0 0 412.801 2.797 20 5 HFBDRN COc1cc(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)cc([N+](=O)[O-])c1C ZINC000790554659 1078054887 /nfs/dbraw/zinc/05/48/87/1078054887.db2.gz VJFIZPGTZYDQNJ-UHFFFAOYSA-N 0 0 408.432 2.588 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000793046304 1078055436 /nfs/dbraw/zinc/05/54/36/1078055436.db2.gz GYWAQZXQLQQNOB-TZMCWYRMSA-N 0 0 417.384 2.745 20 5 HFBDRN CC(C)(C)OC(=O)Nc1ccccc1CCC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000790560803 1078056353 /nfs/dbraw/zinc/05/63/53/1078056353.db2.gz YTLDBRJOFFRLER-UHFFFAOYSA-N 0 0 403.439 2.887 20 5 HFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793056237 1078058014 /nfs/dbraw/zinc/05/80/14/1078058014.db2.gz LIZWDTSTPPCTMI-MRRJBJDNSA-N 0 0 417.462 2.631 20 5 HFBDRN CN(C(=O)COC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000746924486 1078059120 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/nfs/dbraw/zinc/06/77/11/1078067711.db2.gz VASDTMVYUAOOFH-UHFFFAOYSA-N 0 0 419.235 2.584 20 5 HFBDRN CN(CCOC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000793125692 1078071554 /nfs/dbraw/zinc/07/15/54/1078071554.db2.gz MZANVMKXONQTTO-QGZVFWFLSA-N 0 0 404.444 2.535 20 5 HFBDRN CC(C)COC(=O)N1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790613260 1078075794 /nfs/dbraw/zinc/07/57/94/1078075794.db2.gz GAWJFNIUWVWFMR-UHFFFAOYSA-N 0 0 401.822 2.867 20 5 HFBDRN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCCC3CS(=O)(=O)C3)cc2[N+](=O)[O-])C1 ZINC000790628978 1078082190 /nfs/dbraw/zinc/08/21/90/1078082190.db2.gz AWTQOQCIDJWTNA-ZIAGYGMSSA-N 0 0 410.492 2.669 20 5 HFBDRN CCOc1cc(NC(=O)c2nn(C)c(=O)c3ccccc32)c([N+](=O)[O-])cc1OCC ZINC000790627174 1078081556 /nfs/dbraw/zinc/08/15/56/1078081556.db2.gz QAGSAJHNRNYWEV-UHFFFAOYSA-N 0 0 412.402 2.891 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1 ZINC000790627301 1078081652 /nfs/dbraw/zinc/08/16/52/1078081652.db2.gz 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Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCS[C@@H](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790850624 1078148321 /nfs/dbraw/zinc/14/83/21/1078148321.db2.gz LJLDIUPXWNIVIP-CYBMUJFWSA-N 0 0 403.482 2.882 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](CCO)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790851267 1078148900 /nfs/dbraw/zinc/14/89/00/1078148900.db2.gz DBEUWXHDZIFWGN-OAHLLOKOSA-N 0 0 423.447 2.564 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790851608 1078148917 /nfs/dbraw/zinc/14/89/17/1078148917.db2.gz QYEBCZGKNWKTPE-AWEZNQCLSA-N 0 0 413.496 2.842 20 5 HFBDRN CO[C@]1(C)C[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1(C)C ZINC000790851702 1078150034 /nfs/dbraw/zinc/15/00/34/1078150034.db2.gz SYQMMSGCXCAJGF-WMLDXEAASA-N 0 0 415.468 2.944 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790856123 1078151884 /nfs/dbraw/zinc/15/18/84/1078151884.db2.gz IBOSYJWHDZOZER-UHFFFAOYSA-N 0 0 409.420 2.615 20 5 HFBDRN COC(=O)c1cc(OS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000790819057 1078154500 /nfs/dbraw/zinc/15/45/00/1078154500.db2.gz AWERDDNKJAYJQY-UHFFFAOYSA-N 0 0 423.399 2.553 20 5 HFBDRN COc1ccc(C=O)cc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790819215 1078154516 /nfs/dbraw/zinc/15/45/16/1078154516.db2.gz FUICPXCWVZPIKB-UHFFFAOYSA-N 0 0 410.360 2.709 20 5 HFBDRN COc1cc(OC)cc(OS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c1 ZINC000790822927 1078156582 /nfs/dbraw/zinc/15/65/82/1078156582.db2.gz XNYQTSVPPOCCIK-UHFFFAOYSA-N 0 0 412.376 2.905 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790865671 1078164073 /nfs/dbraw/zinc/16/40/73/1078164073.db2.gz MZRJEVKUHLEGLN-KGLIPLIRSA-N 0 0 415.468 2.992 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2cccc(C(=O)N(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000790825747 1078158079 /nfs/dbraw/zinc/15/80/79/1078158079.db2.gz BCGWQUUJWPUFQG-UHFFFAOYSA-N 0 0 423.403 2.589 20 5 HFBDRN 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CN(Cc1nccn1Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804514622 1078556452 /nfs/dbraw/zinc/55/64/52/1078556452.db2.gz AURJBNRWTCGJGE-UHFFFAOYSA-N 0 0 406.446 2.666 20 5 HFBDRN COC(=O)c1c2c(sc1NC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-])COCC2 ZINC001129887067 1078557741 /nfs/dbraw/zinc/55/77/41/1078557741.db2.gz JBOSSJPCHUGFOE-UHFFFAOYSA-N 0 0 410.379 2.916 20 5 HFBDRN COC(=O)c1cc(C)nc(Nc2ccc(OC)c(N3CCOC3=O)c2)c1[N+](=O)[O-] ZINC000804525957 1078565362 /nfs/dbraw/zinc/56/53/62/1078565362.db2.gz FCQLFYQANRDDPZ-UHFFFAOYSA-N 0 0 402.363 2.794 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)cc1 ZINC001129572293 1078565429 /nfs/dbraw/zinc/56/54/29/1078565429.db2.gz JSPIVTJGMYRHNT-UHFFFAOYSA-N 0 0 401.400 2.541 20 5 HFBDRN CS(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CCCC1 ZINC000804701906 1078567100 /nfs/dbraw/zinc/56/71/00/1078567100.db2.gz YAXPUOSGUOEMRP-UHFFFAOYSA-N 0 0 409.508 2.672 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804531370 1078568329 /nfs/dbraw/zinc/56/83/29/1078568329.db2.gz YGTLNDWKJUBBJQ-UHFFFAOYSA-N 0 0 421.498 2.772 20 5 HFBDRN CON(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000804705464 1078571329 /nfs/dbraw/zinc/57/13/29/1078571329.db2.gz LYQYPCKVVFHIBG-UONOGXRCSA-N 0 0 424.306 2.797 20 5 HFBDRN CC(C)(C)OC(=O)NCCCOC1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000804533560 1078571397 /nfs/dbraw/zinc/57/13/97/1078571397.db2.gz DFSJQUGTVKBLFZ-UHFFFAOYSA-N 0 0 424.498 2.570 20 5 HFBDRN CCO[C@H](C)c1nc(CN(C)c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)cs1 ZINC000804512093 1078571902 /nfs/dbraw/zinc/57/19/02/1078571902.db2.gz VOEMRCYURFKFLE-LLVKDONJSA-N 0 0 405.480 2.976 20 5 HFBDRN COc1ccc(C(=O)N2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)c(OC)c1 ZINC000747210140 1078577917 /nfs/dbraw/zinc/57/79/17/1078577917.db2.gz HATVUSBZGYVIDM-UHFFFAOYSA-N 0 0 419.409 2.722 20 5 HFBDRN CS(=O)(=O)c1ccccc1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001129894575 1078588251 /nfs/dbraw/zinc/58/82/51/1078588251.db2.gz WUZKGBXLARHPNC-UHFFFAOYSA-N 0 0 413.249 2.691 20 5 HFBDRN C[C@H]1CCCN(c2cc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)ccn2)C1 ZINC001129609760 1078580078 /nfs/dbraw/zinc/58/00/78/1078580078.db2.gz AMQBOVHYDIMHSL-INIZCTEOSA-N 0 0 410.478 2.584 20 5 HFBDRN COC(=O)c1cnc(-n2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000804555424 1078581089 /nfs/dbraw/zinc/58/10/89/1078581089.db2.gz JRNCVKINOOCYDV-UHFFFAOYSA-N 0 0 422.113 2.709 20 5 HFBDRN CO[C@H](C)c1noc(CN2CCCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)n1 ZINC000804537325 1078583731 /nfs/dbraw/zinc/58/37/31/1078583731.db2.gz RAAPMWALHUQBGL-CQSZACIVSA-N 0 0 403.439 2.600 20 5 HFBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1cc(-c2nn[nH]n2)ccc1F ZINC001129613411 1078591771 /nfs/dbraw/zinc/59/17/71/1078591771.db2.gz RQRKOKLVHVKRHZ-MRVPVSSYSA-N 0 0 406.761 2.973 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NC[C@@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001129622837 1078597545 /nfs/dbraw/zinc/59/75/45/1078597545.db2.gz AUYLBXFSKVRTFZ-CRAIPNDOSA-N 0 0 403.479 2.829 20 5 HFBDRN Cc1ccc(N2CCC[C@H](S(=O)(=O)N(C)C)C2)c([N+](=O)[O-])c1Br ZINC000804777228 1078602340 /nfs/dbraw/zinc/60/23/40/1078602340.db2.gz WCBSHKHCAHEVTI-NSHDSACASA-N 0 0 406.302 2.526 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000804566801 1078603109 /nfs/dbraw/zinc/60/31/09/1078603109.db2.gz ZEBYCESXNWKLLA-UHFFFAOYSA-N 0 0 406.829 2.608 20 5 HFBDRN Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Br)CCO1 ZINC001129643499 1078633837 /nfs/dbraw/zinc/63/38/37/1078633837.db2.gz BASZZFDHAODNRX-GWCFXTLKSA-N 0 0 409.240 2.741 20 5 HFBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 ZINC001129680102 1078644248 /nfs/dbraw/zinc/64/42/48/1078644248.db2.gz WAGCVZHYXPURIR-UHFFFAOYSA-N 0 0 413.502 2.887 20 5 HFBDRN COC[C@@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804788436 1078644189 /nfs/dbraw/zinc/64/41/89/1078644189.db2.gz NEADSHFVAYKPEP-IBGZPJMESA-N 0 0 411.430 2.880 20 5 HFBDRN Cc1nn(CCC(=O)N[C@@H]2[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000804843856 1078650943 /nfs/dbraw/zinc/65/09/43/1078650943.db2.gz DNQXNTJENHBEQZ-RVSPLBMKSA-N 0 0 423.514 2.948 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCOc2cc(O)ccc2C1 ZINC000804814515 1078657710 /nfs/dbraw/zinc/65/77/10/1078657710.db2.gz ASWVJYZPUQGXRC-UHFFFAOYSA-N 0 0 418.349 2.993 20 5 HFBDRN CCS(=O)(=O)CCCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC001129729303 1078679064 /nfs/dbraw/zinc/67/90/64/1078679064.db2.gz ZYGDDFYQDXEEGJ-CQSZACIVSA-N 0 0 420.491 2.718 20 5 HFBDRN CCOc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804631169 1078685879 /nfs/dbraw/zinc/68/58/79/1078685879.db2.gz OMTZWPQLHNDTSJ-CVEARBPZSA-N 0 0 421.450 2.503 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(NCCN2CCN(C(=O)C3CCCCC3)CC2)c1 ZINC000747219933 1078699363 /nfs/dbraw/zinc/69/93/63/1078699363.db2.gz HPPABKMLHPBEPH-UHFFFAOYSA-N 0 0 408.474 2.879 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)N2CC(F)(F)C(F)(F)C2)cc1[N+](=O)[O-] ZINC001129755795 1078700335 /nfs/dbraw/zinc/70/03/35/1078700335.db2.gz FZXBBYXFYJWJFB-UHFFFAOYSA-N 0 0 405.333 2.601 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000747219774 1078700705 /nfs/dbraw/zinc/70/07/05/1078700705.db2.gz AFEIRQVOYWXGJZ-UHFFFAOYSA-N 0 0 411.402 2.715 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804641141 1078728875 /nfs/dbraw/zinc/72/88/75/1078728875.db2.gz MGDXZXXRUQYZFY-HIFRSBDPSA-N 0 0 416.434 2.586 20 5 HFBDRN CO[C@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001129791321 1078731264 /nfs/dbraw/zinc/73/12/64/1078731264.db2.gz XFIRVVIJEAYGMG-NRSPTQNISA-N 0 0 423.469 2.936 20 5 HFBDRN Cc1cc(F)cc2c1S(=O)(=O)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2=O ZINC000804917338 1078738853 /nfs/dbraw/zinc/73/88/53/1078738853.db2.gz MHCFONUZGAASJM-UHFFFAOYSA-N 0 0 421.406 2.524 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747223207 1078782672 /nfs/dbraw/zinc/78/26/72/1078782672.db2.gz JKLDBGLPQPTICJ-CQSZACIVSA-N 0 0 400.309 2.965 20 5 HFBDRN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001130029299 1078800754 /nfs/dbraw/zinc/80/07/54/1078800754.db2.gz YGZMSQSYWVCFDR-INIZCTEOSA-N 0 0 407.348 2.927 20 5 HFBDRN Cc1nc(S(=O)(=O)Oc2ccc([N+](=O)[O-])c(Cl)c2)c(Br)n1C ZINC000804970185 1078806367 /nfs/dbraw/zinc/80/63/67/1078806367.db2.gz LQWRDUJQUPPNAN-UHFFFAOYSA-N 0 0 410.633 2.820 20 5 HFBDRN COC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(S(C)(=O)=O)c1 ZINC001130044727 1078847927 /nfs/dbraw/zinc/84/79/27/1078847927.db2.gz FOSMYMYZJGSTMX-UHFFFAOYSA-N 0 0 412.807 2.691 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000747226086 1078860905 /nfs/dbraw/zinc/86/09/05/1078860905.db2.gz NZWQTEJBMNFYEZ-HNNXBMFYSA-N 0 0 400.309 2.722 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805117145 1078902295 /nfs/dbraw/zinc/90/22/95/1078902295.db2.gz GWRNBHANTYYIKU-CYBMUJFWSA-N 0 0 419.887 2.928 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000805117144 1078902390 /nfs/dbraw/zinc/90/23/90/1078902390.db2.gz GVGCSHAJEGQNNA-OAHLLOKOSA-N 0 0 413.496 2.891 20 5 HFBDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1 ZINC000805121525 1078905254 /nfs/dbraw/zinc/90/52/54/1078905254.db2.gz QFNFYKMOBFPFFC-HNNXBMFYSA-N 0 0 404.366 2.767 20 5 HFBDRN O=[N+]([O-])c1cc(F)c(Br)cc1S(=O)(=O)NC[C@H]1CCCSC1 ZINC000805138760 1078935707 /nfs/dbraw/zinc/93/57/07/1078935707.db2.gz DQCLWBYMVIVFRI-MRVPVSSYSA-N 0 0 413.290 2.918 20 5 HFBDRN CC(C)O[C@@H]1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 ZINC001130126566 1078978260 /nfs/dbraw/zinc/97/82/60/1078978260.db2.gz XQCBKENHRWDGJP-CYBMUJFWSA-N 0 0 404.204 2.839 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000805417439 1079078550 /nfs/dbraw/zinc/07/85/50/1079078550.db2.gz QIXPFUHAADLFGG-ZDUSSCGKSA-N 0 0 410.446 2.931 20 5 HFBDRN CC(C)[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC001130228514 1079113496 /nfs/dbraw/zinc/11/34/96/1079113496.db2.gz FQLKGJNCRXHEIW-CQSZACIVSA-N 0 0 403.439 2.519 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000805526622 1079119266 /nfs/dbraw/zinc/11/92/66/1079119266.db2.gz KZNJMZBDIYTCIE-QMMMGPOBSA-N 0 0 402.197 2.671 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC001130244736 1079132124 /nfs/dbraw/zinc/13/21/24/1079132124.db2.gz KDSNCKOMVALUBP-LBPRGKRZSA-N 0 0 407.345 2.789 20 5 HFBDRN O=C(COC(=O)c1n[nH]nc1-c1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000805551421 1079136865 /nfs/dbraw/zinc/13/68/65/1079136865.db2.gz HUNQWWCMKFWEDF-UHFFFAOYSA-N 0 0 401.766 2.829 20 5 HFBDRN O=C(NCc1ccccc1)[C@H]1CCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC001130273646 1079168460 /nfs/dbraw/zinc/16/84/60/1079168460.db2.gz RFXZXPAHWDDOTN-HNNXBMFYSA-N 0 0 419.384 2.975 20 5 HFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](OC(=O)c1cn[nH]n1)c1ccccc1 ZINC000805609758 1079174184 /nfs/dbraw/zinc/17/41/84/1079174184.db2.gz VCVNKLIAONDODC-HNNXBMFYSA-N 0 0 401.766 2.903 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H](C)n1ccc2ccccc2c1=O ZINC000805630563 1079184346 /nfs/dbraw/zinc/18/43/46/1079184346.db2.gz VLWORQIBTUAOND-CQSZACIVSA-N 0 0 409.398 2.961 20 5 HFBDRN C[C@@H](C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)n1ccc2ccccc2c1=O ZINC000805632758 1079186546 /nfs/dbraw/zinc/18/65/46/1079186546.db2.gz SYKVAFWNWMUMQY-LBPRGKRZSA-N 0 0 413.361 2.792 20 5 HFBDRN COc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC001130396889 1079278579 /nfs/dbraw/zinc/27/85/79/1079278579.db2.gz IALZLQSOWVLCOE-LJQANCHMSA-N 0 0 409.442 2.793 20 5 HFBDRN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCc2ccc(F)c(Cl)c21 ZINC001130410127 1079310286 /nfs/dbraw/zinc/31/02/86/1079310286.db2.gz FQCYSZOVCYTYFC-UHFFFAOYSA-N 0 0 417.780 2.963 20 5 HFBDRN CN1C(=O)N[C@](C)(c2ccc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])cc2)C1=O ZINC001130431836 1079331518 /nfs/dbraw/zinc/33/15/18/1079331518.db2.gz KDMWZWSXYBBQCB-GOSISDBHSA-N 0 0 402.794 2.897 20 5 HFBDRN COC(=O)COc1ccc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000747283442 1079357202 /nfs/dbraw/zinc/35/72/02/1079357202.db2.gz XDUKUEZWOWAQNI-UHFFFAOYSA-N 0 0 401.780 2.568 20 5 HFBDRN O=C(NC[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000747284889 1079358858 /nfs/dbraw/zinc/35/88/58/1079358858.db2.gz WNIMQLRTAQAYQU-HNNXBMFYSA-N 0 0 421.450 2.707 20 5 HFBDRN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001130463186 1079365951 /nfs/dbraw/zinc/36/59/51/1079365951.db2.gz KYHYUVZLVBWJEG-UHFFFAOYSA-N 0 0 417.328 2.769 20 5 HFBDRN C[C@@H](OC(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)NCCc1ccncc1 ZINC000805982042 1079364357 /nfs/dbraw/zinc/36/43/57/1079364357.db2.gz APHUWRIQVMYKLR-LLVKDONJSA-N 0 0 422.235 2.657 20 5 HFBDRN O=C(OCc1cccc(Br)n1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000805987701 1079367975 /nfs/dbraw/zinc/36/79/75/1079367975.db2.gz MZNBDBHGVUVFIW-NSHDSACASA-N 0 0 424.207 2.693 20 5 HFBDRN O=C(OCc1conc1C(F)(F)F)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000805993664 1079369677 /nfs/dbraw/zinc/36/96/77/1079369677.db2.gz YUTUPSJMYFLSKZ-VIFPVBQESA-N 0 0 403.269 2.543 20 5 HFBDRN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)C(=O)NCc1ccccn1 ZINC000805957410 1079374556 /nfs/dbraw/zinc/37/45/56/1079374556.db2.gz HQJLRKMFONTZMC-OAHLLOKOSA-N 0 0 412.446 2.842 20 5 HFBDRN COc1cc(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC001130455795 1079379807 /nfs/dbraw/zinc/37/98/07/1079379807.db2.gz HZTFYXLCFCTZIM-GFCCVEGCSA-N 0 0 407.345 2.789 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCCc1ccncc1 ZINC000805980391 1079384935 /nfs/dbraw/zinc/38/49/35/1079384935.db2.gz YWLPUXCPNONRQF-LLVKDONJSA-N 0 0 422.235 2.657 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NCCOCc2ccccc2)c1 ZINC000747290189 1079390323 /nfs/dbraw/zinc/39/03/23/1079390323.db2.gz BGYXKCKNQICXQO-UHFFFAOYSA-N 0 0 415.265 2.852 20 5 HFBDRN O=C(OCc1conc1C(F)(F)F)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000805994229 1079395361 /nfs/dbraw/zinc/39/53/61/1079395361.db2.gz MVRLEWTWUBGJDS-UHFFFAOYSA-N 0 0 401.297 2.795 20 5 HFBDRN Cc1cc(COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cs1 ZINC000806024948 1079405075 /nfs/dbraw/zinc/40/50/75/1079405075.db2.gz AGMIHRBNVCBXFG-MRXNPFEDSA-N 0 0 410.473 2.861 20 5 HFBDRN Cn1nccc1[C@@H](NC(=O)CCc1cc(F)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001130491859 1079401295 /nfs/dbraw/zinc/40/12/95/1079401295.db2.gz CBCOIPCJZFXKBW-QGZVFWFLSA-N 0 0 406.414 2.599 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 ZINC000806247203 1079500205 /nfs/dbraw/zinc/50/02/05/1079500205.db2.gz IIEJSDUXEQSZSH-UHFFFAOYSA-N 0 0 421.475 2.725 20 5 HFBDRN O=C([C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N1CCOc2c(F)ccc(F)c21 ZINC001130564730 1079500469 /nfs/dbraw/zinc/50/04/69/1079500469.db2.gz GPUCHUQCZIDNKK-SNVBAGLBSA-N 0 0 421.331 2.791 20 5 HFBDRN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000787336489 1076782438 /nfs/dbraw/zinc/78/24/38/1076782438.db2.gz XFMQDTNNUFBSKD-OAHLLOKOSA-N 0 0 407.789 2.796 20 5 HFBDRN CN(CC(C)(C)S(C)(=O)=O)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000787339964 1076783843 /nfs/dbraw/zinc/78/38/43/1076783843.db2.gz WUKGNOZLTZNSJB-UHFFFAOYSA-N 0 0 411.402 2.578 20 5 HFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000787351830 1076792078 /nfs/dbraw/zinc/79/20/78/1076792078.db2.gz HYPWBERLMVUQQC-HNXYLICVSA-N 0 0 415.215 2.910 20 5 HFBDRN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000746678528 1076792634 /nfs/dbraw/zinc/79/26/34/1076792634.db2.gz KKCSEIKSSSYMKE-ABAIWWIYSA-N 0 0 413.858 2.618 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000787355969 1076794768 /nfs/dbraw/zinc/79/47/68/1076794768.db2.gz KOHVGZWYAPZKPT-ZIAGYGMSSA-N 0 0 422.482 2.920 20 5 HFBDRN CC1N=NC(=S)N1CCNC(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000787388722 1076804821 /nfs/dbraw/zinc/80/48/21/1076804821.db2.gz XOOPKVCSAYKSRH-UHFFFAOYSA-N 0 0 413.459 2.792 20 5 HFBDRN Cc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000746685796 1076822118 /nfs/dbraw/zinc/82/21/18/1076822118.db2.gz TXQONMKGLBXKFF-UHFFFAOYSA-N 0 0 419.459 2.546 20 5 HFBDRN O=C(c1ccc(S[C@@H]2CCOC2=O)cc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787503910 1076828446 /nfs/dbraw/zinc/82/84/46/1076828446.db2.gz VMKLUONGLCFOEL-GOSISDBHSA-N 0 0 414.439 2.906 20 5 HFBDRN Cc1nccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000746691351 1076860420 /nfs/dbraw/zinc/86/04/20/1076860420.db2.gz ZBXWRAAWBWHKHE-UHFFFAOYSA-N 0 0 417.285 2.573 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787589009 1076861543 /nfs/dbraw/zinc/86/15/43/1076861543.db2.gz WDAQAHAROJLGJX-GFCCVEGCSA-N 0 0 417.413 2.503 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787592196 1076862655 /nfs/dbraw/zinc/86/26/55/1076862655.db2.gz CQVZXYQAZPBNMH-UHFFFAOYSA-N 0 0 414.422 2.777 20 5 HFBDRN C[C@](O)(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccc(C(F)(F)F)c1 ZINC000787594100 1076863818 /nfs/dbraw/zinc/86/38/18/1076863818.db2.gz XTZIKQKDAWSKIJ-QGZVFWFLSA-N 0 0 412.368 2.881 20 5 HFBDRN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000787579871 1076871379 /nfs/dbraw/zinc/87/13/79/1076871379.db2.gz CKGAWNCRWQIMGW-LBPRGKRZSA-N 0 0 422.800 2.791 20 5 HFBDRN C[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1nnnn1C1CCCCC1 ZINC000787609433 1076877571 /nfs/dbraw/zinc/87/75/71/1076877571.db2.gz AQXYYXLSWBPPSA-LBPRGKRZSA-N 0 0 412.410 2.585 20 5 HFBDRN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1nnnn1C1CCCCC1 ZINC000787610798 1076877748 /nfs/dbraw/zinc/87/77/48/1076877748.db2.gz IUGIIKSURHIYCA-LLVKDONJSA-N 0 0 403.395 2.776 20 5 HFBDRN CCCC1N=NC(=S)N1CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000787603464 1076889117 /nfs/dbraw/zinc/88/91/17/1076889117.db2.gz HCIAPPYVASORAG-UHFFFAOYSA-N 0 0 403.386 2.763 20 5 HFBDRN O=C(NC[C@H](O)c1cc(F)cc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000787647163 1076896244 /nfs/dbraw/zinc/89/62/44/1076896244.db2.gz IQUPQKNCCAWAHU-AWEZNQCLSA-N 0 0 416.192 2.829 20 5 HFBDRN O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000787665822 1076904070 /nfs/dbraw/zinc/90/40/70/1076904070.db2.gz PAHGGQPICSIJBY-UHFFFAOYSA-N 0 0 406.442 2.969 20 5 HFBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787735161 1076935230 /nfs/dbraw/zinc/93/52/30/1076935230.db2.gz DSOQCWYCZHGLLM-FVMDXXJSSA-N 0 0 410.329 2.777 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1 ZINC000787811373 1076951116 /nfs/dbraw/zinc/95/11/16/1076951116.db2.gz JXCQGDQLYSFARE-UHFFFAOYSA-N 0 0 412.855 2.820 20 5 HFBDRN O=C(NCc1noc(-c2cccc(F)c2)n1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000787904064 1076988946 /nfs/dbraw/zinc/98/89/46/1076988946.db2.gz DYEWYNMINZXPID-INIZCTEOSA-N 0 0 411.349 2.593 20 5 HFBDRN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000787912558 1076992364 /nfs/dbraw/zinc/99/23/64/1076992364.db2.gz PKPCWJYMKLIBIK-JTQLQIEISA-N 0 0 413.393 2.675 20 5 HFBDRN CC(C)(C)c1cc(CS(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000787918658 1076995474 /nfs/dbraw/zinc/99/54/74/1076995474.db2.gz WJZFQHSWHASQDL-UHFFFAOYSA-N 0 0 408.480 2.532 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000787896964 1077003604 /nfs/dbraw/zinc/00/36/04/1077003604.db2.gz FSSHGEJHPAGQAB-MRXNPFEDSA-N 0 0 416.356 2.675 20 5 HFBDRN O=C(COC(=O)c1cnn(-c2cccnc2)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787968794 1077012058 /nfs/dbraw/zinc/01/20/58/1077012058.db2.gz QPDBIZQRNJXBTL-UHFFFAOYSA-N 0 0 401.766 2.624 20 5 HFBDRN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3nc(N(C)C)no3)cc2[N+](=O)[O-])C1 ZINC000787971157 1077012756 /nfs/dbraw/zinc/01/27/56/1077012756.db2.gz NOKZIGHFPNWQBF-BETUJISGSA-N 0 0 403.439 2.883 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)O[C@H](C)C(=O)c2ccc(NS(C)(=O)=O)cc2)c1F ZINC000787939175 1077017474 /nfs/dbraw/zinc/01/74/74/1077017474.db2.gz LBOHPXDMMXWUGJ-LLVKDONJSA-N 0 0 424.406 2.842 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOc1ccc2c(c1)OCO2 ZINC000746720049 1077017986 /nfs/dbraw/zinc/01/79/86/1077017986.db2.gz OLJZLGLKHDAAKZ-UHFFFAOYSA-N 0 0 405.319 2.509 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1F ZINC000787941334 1077018703 /nfs/dbraw/zinc/01/87/03/1077018703.db2.gz ZFKAYMLYYFHIGY-UHFFFAOYSA-N 0 0 417.393 2.674 20 5 HFBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCn2c(Br)cnc2C1 ZINC000787998042 1077023561 /nfs/dbraw/zinc/02/35/61/1077023561.db2.gz WAEMTMIEODITBH-UHFFFAOYSA-N 0 0 408.256 2.707 20 5 HFBDRN COC(=O)NCCc1ccc(S(=O)(=O)Oc2ccc(C)cc2[N+](=O)[O-])s1 ZINC000788016811 1077029539 /nfs/dbraw/zinc/02/95/39/1077029539.db2.gz MSAFMTMWXKAHJD-UHFFFAOYSA-N 0 0 400.434 2.631 20 5 HFBDRN COC(=O)c1sccc1COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787981613 1077031599 /nfs/dbraw/zinc/03/15/99/1077031599.db2.gz BZBVRMQZIHAKFQ-UHFFFAOYSA-N 0 0 412.807 2.570 20 5 HFBDRN CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nccs1 ZINC000787984176 1077032457 /nfs/dbraw/zinc/03/24/57/1077032457.db2.gz WTAXRCYTUYQOBQ-UHFFFAOYSA-N 0 0 404.448 2.861 20 5 HFBDRN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc([N+](=O)[O-])c1F ZINC000788061286 1077045874 /nfs/dbraw/zinc/04/58/74/1077045874.db2.gz FDUINSRJFVHDLQ-UHFFFAOYSA-N 0 0 422.843 2.900 20 5 HFBDRN COCCCN1C(=O)N=NC1SCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000788099990 1077048773 /nfs/dbraw/zinc/04/87/73/1077048773.db2.gz RJWKPXQQEZHWFN-UHFFFAOYSA-N 0 0 403.258 2.983 20 5 HFBDRN COC(=O)NCCc1ccc(S(=O)(=O)Oc2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000788071504 1077052122 /nfs/dbraw/zinc/05/21/22/1077052122.db2.gz YLUYMARWVCWEJK-UHFFFAOYSA-N 0 0 420.852 2.976 20 5 HFBDRN COC(=O)c1cn([C@@H]2CCCC[C@H]2OC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)nn1 ZINC000788095420 1077057221 /nfs/dbraw/zinc/05/72/21/1077057221.db2.gz NEMSBCPFWXVWRJ-IAGOWNOFSA-N 0 0 413.390 2.795 20 5 HFBDRN CC1=C(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)n2ncnc2N1C ZINC000788129628 1077060960 /nfs/dbraw/zinc/06/09/60/1077060960.db2.gz KHMBSXPXTOBBAX-VIFPVBQESA-N 0 0 407.228 2.872 20 5 HFBDRN O=C(COC(=O)c1cccnc1C(F)(F)F)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000788130288 1077061501 /nfs/dbraw/zinc/06/15/01/1077061501.db2.gz MDCDHAYQGXHMNJ-UHFFFAOYSA-N 0 0 413.264 2.533 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H](C)N1CCc2ccccc21 ZINC000788141017 1077063622 /nfs/dbraw/zinc/06/36/22/1077063622.db2.gz DGWZVGAGQUVXSN-UONOGXRCSA-N 0 0 413.430 2.925 20 5 HFBDRN COc1cc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cnc1Br ZINC000788159973 1077071497 /nfs/dbraw/zinc/07/14/97/1077071497.db2.gz FPGINFDQKLBZOI-UHFFFAOYSA-N 0 0 421.251 2.723 20 5 HFBDRN COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2Cl)cc1OC ZINC000788216606 1077081462 /nfs/dbraw/zinc/08/14/62/1077081462.db2.gz LATHFQOWVNWJNG-UHFFFAOYSA-N 0 0 400.796 2.844 20 5 HFBDRN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cnc1Br ZINC000788292057 1077099634 /nfs/dbraw/zinc/09/96/34/1077099634.db2.gz QQYLHYQPIGOHDA-VIFPVBQESA-N 0 0 424.207 2.945 20 5 HFBDRN Cc1nc2cc(C(=O)OCCn3cnc([N+](=O)[O-])n3)ccc2n1Cc1ccsc1 ZINC000788369653 1077130513 /nfs/dbraw/zinc/13/05/13/1077130513.db2.gz HJBJDBWWISHCRY-UHFFFAOYSA-N 0 0 412.431 2.811 20 5 HFBDRN CN1C(=O)CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000788501793 1077183679 /nfs/dbraw/zinc/18/36/79/1077183679.db2.gz WCIYHFPXXHWURR-MRXNPFEDSA-N 0 0 404.220 2.970 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N=c2nc(-c3cccs3)[nH]n2C)cc1[N+](=O)[O-] ZINC000788555463 1077200254 /nfs/dbraw/zinc/20/02/54/1077200254.db2.gz ALXMTHUXLIKTQV-UHFFFAOYSA-N 0 0 413.868 2.636 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)ccc1[N+](=O)[O-] ZINC000790924944 1077234095 /nfs/dbraw/zinc/23/40/95/1077234095.db2.gz IHLHREZGVXYGJR-IZZDOVSWSA-N 0 0 407.400 2.947 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O ZINC000790929397 1077236725 /nfs/dbraw/zinc/23/67/25/1077236725.db2.gz SKKLQBQSUCHXRQ-KUHUBIRLSA-N 0 0 410.467 2.950 20 5 HFBDRN CCOc1cc(OS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1[N+](=O)[O-] ZINC000790929044 1077236787 /nfs/dbraw/zinc/23/67/87/1077236787.db2.gz LSOSQHZDZPERMT-UHFFFAOYSA-N 0 0 410.404 2.728 20 5 HFBDRN CS(=O)(=O)c1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000790908170 1077244506 /nfs/dbraw/zinc/24/45/06/1077244506.db2.gz YMNZSGQJSHPYCK-UHFFFAOYSA-N 0 0 413.249 2.942 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1nc(COc2ccccc2)n[nH]1 ZINC000790938103 1077246023 /nfs/dbraw/zinc/24/60/23/1077246023.db2.gz NURKOEFITVZVBG-UHFFFAOYSA-N 0 0 419.800 2.943 20 5 HFBDRN O=C(CN1CCc2ccccc2C1=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000790965886 1077256828 /nfs/dbraw/zinc/25/68/28/1077256828.db2.gz LJQWGVLCVLYVLI-UHFFFAOYSA-N 0 0 404.220 2.994 20 5 HFBDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000788705518 1077265181 /nfs/dbraw/zinc/26/51/81/1077265181.db2.gz GTAJMZGJXSDXLZ-ZDUSSCGKSA-N 0 0 405.432 2.933 20 5 HFBDRN COC(=O)C[C@@](C)(NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000791004330 1077265328 /nfs/dbraw/zinc/26/53/28/1077265328.db2.gz AQPDNHSWPLAEAQ-GOSISDBHSA-N 0 0 409.801 2.920 20 5 HFBDRN Cc1c(CNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cccc1[N+](=O)[O-] ZINC000791016533 1077272385 /nfs/dbraw/zinc/27/23/85/1077272385.db2.gz SJZDVVSUECAPBI-UHFFFAOYSA-N 0 0 400.391 2.578 20 5 HFBDRN Cc1c(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000791017645 1077272903 /nfs/dbraw/zinc/27/29/03/1077272903.db2.gz JLIIBJYVLGRSBZ-UHFFFAOYSA-N 0 0 421.450 2.757 20 5 HFBDRN COc1cccc(/C=C(\C(=O)NCc2cccc([N+](=O)[O-])c2C)n2nnnc2C)c1 ZINC000791018160 1077273619 /nfs/dbraw/zinc/27/36/19/1077273619.db2.gz NPEDOZDPMRKJQH-YBFXNURJSA-N 0 0 408.418 2.521 20 5 HFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1c(Cl)nc2ccccn21 ZINC000791026238 1077275149 /nfs/dbraw/zinc/27/51/49/1077275149.db2.gz XUCYMEFSUNBUHL-UHFFFAOYSA-N 0 0 402.794 2.759 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1ncc(C(F)(F)F)s1 ZINC000791028906 1077275958 /nfs/dbraw/zinc/27/59/58/1077275958.db2.gz SQUUFFZYASDJEU-UHFFFAOYSA-N 0 0 403.294 2.721 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000791037133 1077278814 /nfs/dbraw/zinc/27/88/14/1077278814.db2.gz VTUGIYZXZDSOLV-UHFFFAOYSA-N 0 0 420.466 2.949 20 5 HFBDRN COC(=O)c1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(N(C)C)c1 ZINC000791046227 1077282343 /nfs/dbraw/zinc/28/23/43/1077282343.db2.gz QWVARCADHVXENO-UHFFFAOYSA-N 0 0 416.390 2.927 20 5 HFBDRN CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000791125197 1077294493 /nfs/dbraw/zinc/29/44/93/1077294493.db2.gz DUFAVWINHBNMPP-NRFANRHFSA-N 0 0 424.457 2.952 20 5 HFBDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791092352 1077297724 /nfs/dbraw/zinc/29/77/24/1077297724.db2.gz AAOUMTXSOQSFOI-ZDUSSCGKSA-N 0 0 403.395 2.702 20 5 HFBDRN C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC2(CCOCC2)O1 ZINC000791153594 1077310148 /nfs/dbraw/zinc/31/01/48/1077310148.db2.gz YSNXDTPURKEBCB-SNVBAGLBSA-N 0 0 417.231 2.907 20 5 HFBDRN Cc1cccc(N2C(=O)N[C@H](CCC(=O)OCc3ccc([N+](=O)[O-])cc3F)C2=O)c1 ZINC000746979626 1077312864 /nfs/dbraw/zinc/31/28/64/1077312864.db2.gz MQPNBVJWPXQFLV-QGZVFWFLSA-N 0 0 415.377 2.991 20 5 HFBDRN Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)CC2)cs1 ZINC000791198143 1077321313 /nfs/dbraw/zinc/32/13/13/1077321313.db2.gz YXVXJGXJILCTBO-UHFFFAOYSA-N 0 0 407.471 2.523 20 5 HFBDRN COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000746985913 1077325033 /nfs/dbraw/zinc/32/50/33/1077325033.db2.gz LMQBWYUKDZKVSS-GFCCVEGCSA-N 0 0 411.407 2.896 20 5 HFBDRN COc1ccc(S(=O)(=O)C[C@H](C)C(=O)OCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000746985915 1077325151 /nfs/dbraw/zinc/32/51/51/1077325151.db2.gz LMQBWYUKDZKVSS-LBPRGKRZSA-N 0 0 411.407 2.896 20 5 HFBDRN COc1cc(CCNS(=O)(=O)C2=Cc3ccccc3OC2)c([N+](=O)[O-])cc1OC ZINC000788874728 1077325821 /nfs/dbraw/zinc/32/58/21/1077325821.db2.gz KZKUUUJTLBOBNH-UHFFFAOYSA-N 0 0 420.443 2.507 20 5 HFBDRN CCOC(=O)c1oc2ccc(S(=O)(=O)Oc3cccnc3[N+](=O)[O-])cc2c1C ZINC000788875037 1077326461 /nfs/dbraw/zinc/32/64/61/1077326461.db2.gz DCRVYJLDYZJHNV-UHFFFAOYSA-N 0 0 406.372 2.989 20 5 HFBDRN C[C@@]12CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(Cl)Cl ZINC000791202676 1077326443 /nfs/dbraw/zinc/32/64/43/1077326443.db2.gz AGJIKYBOJPQIFL-XJKSGUPXSA-N 0 0 400.262 2.757 20 5 HFBDRN Cc1occc1C(=O)NCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791174838 1077328081 /nfs/dbraw/zinc/32/80/81/1077328081.db2.gz PUXDDZVWNLNUMR-UHFFFAOYSA-N 0 0 422.235 2.573 20 5 HFBDRN Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)C1CCCCCC1 ZINC000788883318 1077329330 /nfs/dbraw/zinc/32/93/30/1077329330.db2.gz IYCGRPDRPKAARV-UHFFFAOYSA-N 0 0 419.463 2.966 20 5 HFBDRN Cc1cc(N(CCO)CCNC(=O)OC(C)(C)C)c(Br)cc1[N+](=O)[O-] ZINC000788855944 1077335006 /nfs/dbraw/zinc/33/50/06/1077335006.db2.gz YDQVSWRYPBTGGD-UHFFFAOYSA-N 0 0 418.288 2.989 20 5 HFBDRN C[C@@H](NC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC000791227252 1077335938 /nfs/dbraw/zinc/33/59/38/1077335938.db2.gz JVPSJYJZCBZYGU-CHWSQXEVSA-N 0 0 422.449 2.975 20 5 HFBDRN Cc1ccc(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nc1 ZINC000788928684 1077338697 /nfs/dbraw/zinc/33/86/97/1077338697.db2.gz CYGAUYKIHJMKGC-UHFFFAOYSA-N 0 0 400.254 2.881 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)NCc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] ZINC000791205451 1077342949 /nfs/dbraw/zinc/34/29/49/1077342949.db2.gz OPCFKOGIVKQOTE-UHFFFAOYSA-N 0 0 400.410 2.857 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000791208490 1077344231 /nfs/dbraw/zinc/34/42/31/1077344231.db2.gz IXVAMHRWASQCNZ-UHFFFAOYSA-N 0 0 416.453 2.927 20 5 HFBDRN CCc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)CC2)cs1 ZINC000791208477 1077344288 /nfs/dbraw/zinc/34/42/88/1077344288.db2.gz IQIFYNMMFLUQRG-UHFFFAOYSA-N 0 0 421.498 2.777 20 5 HFBDRN COC(=O)[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccsc1 ZINC000788903069 1077346640 /nfs/dbraw/zinc/34/66/40/1077346640.db2.gz FISAXJAECFDDQS-INIZCTEOSA-N 0 0 420.399 2.802 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)cc1C ZINC000788946148 1077356660 /nfs/dbraw/zinc/35/66/60/1077356660.db2.gz HJRSAKUUGDVBGP-QGZVFWFLSA-N 0 0 417.487 2.633 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000791244897 1077357006 /nfs/dbraw/zinc/35/70/06/1077357006.db2.gz MSZNVOSNQDDAFT-UHFFFAOYSA-N 0 0 424.211 2.680 20 5 HFBDRN C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791244922 1077357013 /nfs/dbraw/zinc/35/70/13/1077357013.db2.gz NHGZXLRZBFQVGE-LLVKDONJSA-N 0 0 424.295 2.937 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000791328332 1077375435 /nfs/dbraw/zinc/37/54/35/1077375435.db2.gz USRAEEKCCAIXOW-UHFFFAOYSA-N 0 0 406.458 2.665 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000791331691 1077376631 /nfs/dbraw/zinc/37/66/31/1077376631.db2.gz VXBYMGNTDJNNND-INIZCTEOSA-N 0 0 400.410 2.503 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000791343796 1077380324 /nfs/dbraw/zinc/38/03/24/1077380324.db2.gz JQTYPGJEPRWGCH-UHFFFAOYSA-N 0 0 404.379 2.764 20 5 HFBDRN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791343327 1077380541 /nfs/dbraw/zinc/38/05/41/1077380541.db2.gz GCDORXNUTNSMNK-NSHDSACASA-N 0 0 408.817 2.987 20 5 HFBDRN Cc1cc(-n2ccnc2)ccc1COC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000791349932 1077390425 /nfs/dbraw/zinc/39/04/25/1077390425.db2.gz FFBFYEWIMSVTRR-UHFFFAOYSA-N 0 0 415.427 2.849 20 5 HFBDRN COC(=O)[C@H](OC(=O)Cn1cc([N+](=O)[O-])nc1C)c1ccc(Cl)c(Cl)c1 ZINC000791350813 1077390619 /nfs/dbraw/zinc/39/06/19/1077390619.db2.gz CFKNILAPQXAKBN-CQSZACIVSA-N 0 0 402.190 2.864 20 5 HFBDRN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000791357247 1077392921 /nfs/dbraw/zinc/39/29/21/1077392921.db2.gz OUXZQDVVNRJBGI-NSHDSACASA-N 0 0 422.486 2.720 20 5 HFBDRN CCc1ccc(C(=O)O[C@@H](C(=O)N2CCC(C(=O)OC)CC2)C(C)C)cc1[N+](=O)[O-] ZINC000747010526 1077399779 /nfs/dbraw/zinc/39/97/79/1077399779.db2.gz LSLUGVGDFWDAGF-GOSISDBHSA-N 0 0 420.462 2.750 20 5 HFBDRN CCc1ccc(C(=O)OCC(=O)Nc2ccccc2SCC(N)=O)cc1[N+](=O)[O-] ZINC000747010965 1077400734 /nfs/dbraw/zinc/40/07/34/1077400734.db2.gz PUNXKQDTCXUWOS-UHFFFAOYSA-N 0 0 417.443 2.530 20 5 HFBDRN COC(=O)[C@@H](OC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 ZINC000791417074 1077403671 /nfs/dbraw/zinc/40/36/71/1077403671.db2.gz POERDFCQYRZTAA-HNNXBMFYSA-N 0 0 415.185 2.521 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)Cc1ccccc1 ZINC000791436021 1077407160 /nfs/dbraw/zinc/40/71/60/1077407160.db2.gz TZYUWBKTZCOBDU-UHFFFAOYSA-N 0 0 412.851 2.867 20 5 HFBDRN C[C@@H](OC(=O)CCc1ccnn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000772774289 1077409080 /nfs/dbraw/zinc/40/90/80/1077409080.db2.gz UDRVFCSPRRVXDH-SNVBAGLBSA-N 0 0 414.340 2.850 20 5 HFBDRN O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791450050 1077410837 /nfs/dbraw/zinc/41/08/37/1077410837.db2.gz RUVRZJDKAITACL-UHFFFAOYSA-N 0 0 416.342 2.981 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000791487269 1077426550 /nfs/dbraw/zinc/42/65/50/1077426550.db2.gz BACLMLCBGBFTDQ-UHFFFAOYSA-N 0 0 408.842 2.831 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)O[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000791494965 1077432917 /nfs/dbraw/zinc/43/29/17/1077432917.db2.gz OJYIYNHRZMNZPJ-GFCCVEGCSA-N 0 0 418.450 2.575 20 5 HFBDRN CC1=C(C(=O)OCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)n2ncnc2N1C ZINC000791467481 1077440920 /nfs/dbraw/zinc/44/09/20/1077440920.db2.gz WDHOVYXZBXQPLT-GFCCVEGCSA-N 0 0 410.390 2.870 20 5 HFBDRN O=C(OCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)c1n[nH]c2c1CCCCC2 ZINC000789177083 1077445639 /nfs/dbraw/zinc/44/56/39/1077445639.db2.gz MBGPABXBUWGUNN-UHFFFAOYSA-N 0 0 400.391 2.742 20 5 HFBDRN Cc1c(C(=O)O[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)nnn1CC1CCCC1 ZINC000789188125 1077452578 /nfs/dbraw/zinc/45/25/78/1077452578.db2.gz VLOXNVGLBVTBBM-QGZVFWFLSA-N 0 0 413.434 2.647 20 5 HFBDRN COc1ccc(OCCOC(=O)c2nnn(CC3CCCC3)c2C)c([N+](=O)[O-])c1 ZINC000789189472 1077452922 /nfs/dbraw/zinc/45/29/22/1077452922.db2.gz AUMDYYYMBSDOSN-UHFFFAOYSA-N 0 0 404.423 2.929 20 5 HFBDRN CCC1=C(C(=O)OCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)CCCO1 ZINC000791530668 1077456178 /nfs/dbraw/zinc/45/61/78/1077456178.db2.gz AXFBWKXJBJDEOM-UHFFFAOYSA-N 0 0 406.391 2.712 20 5 HFBDRN O=C(COC(=O)c1ccc(O[C@@H]2CCOC2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000789198625 1077457151 /nfs/dbraw/zinc/45/71/51/1077457151.db2.gz PJSUKDIDABRNCC-OAHLLOKOSA-N 0 0 404.350 2.697 20 5 HFBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(O[C@H]2CCOC2)cc1 ZINC000789200999 1077458663 /nfs/dbraw/zinc/45/86/63/1077458663.db2.gz OODGYJFIZRBWDF-SFHVURJKSA-N 0 0 401.371 2.986 20 5 HFBDRN Cc1cccc2c(=O)n(CCC(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cnc12 ZINC000791548065 1077473153 /nfs/dbraw/zinc/47/31/53/1077473153.db2.gz BVURGIBJEFNCNH-UHFFFAOYSA-N 0 0 412.358 2.655 20 5 HFBDRN C[C@@H]1Oc2ccccc2N(CCC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000791550933 1077474800 /nfs/dbraw/zinc/47/48/00/1077474800.db2.gz ZVHDODSTKLGIPU-LBPRGKRZSA-N 0 0 415.358 2.750 20 5 HFBDRN COc1cccc(C2=NO[C@@H](C(=O)Nc3ccnn3-c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000791567045 1077483226 /nfs/dbraw/zinc/48/32/26/1077483226.db2.gz PZDIAXMSEVLRHX-GOSISDBHSA-N 0 0 407.386 2.921 20 5 HFBDRN CCOC(=O)c1cc(C(=O)OCc2ccc(S(C)(=O)=O)cc2)cc([N+](=O)[O-])c1 ZINC000791587476 1077492810 /nfs/dbraw/zinc/49/28/10/1077492810.db2.gz ILNOYSABZKRLPT-UHFFFAOYSA-N 0 0 407.400 2.532 20 5 HFBDRN C[C@H](OC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000789284122 1077496049 /nfs/dbraw/zinc/49/60/49/1077496049.db2.gz HHLXSCMVFAPMIU-SWLSCSKDSA-N 0 0 419.434 2.722 20 5 HFBDRN COc1ccc(OCCOC(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC000789294842 1077502005 /nfs/dbraw/zinc/50/20/05/1077502005.db2.gz MNKJNJFJXNOQDP-CQSZACIVSA-N 0 0 422.434 2.782 20 5 HFBDRN C[C@@H](OC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000789296288 1077503930 /nfs/dbraw/zinc/50/39/30/1077503930.db2.gz RDYVHFJJLIDFAK-IUODEOHRSA-N 0 0 419.434 2.722 20 5 HFBDRN O=C(OCc1ccccc1)[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000791645163 1077508468 /nfs/dbraw/zinc/50/84/68/1077508468.db2.gz DBGMCHWZSJQCIZ-CTNGQTDRSA-N 0 0 414.458 2.932 20 5 HFBDRN 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ZINC000791810967 1077563528 /nfs/dbraw/zinc/56/35/28/1077563528.db2.gz KYKMEMUILYEBBP-UHFFFAOYSA-N 0 0 403.439 2.776 20 5 HFBDRN O=C(OCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1CCCCS1(=O)=O ZINC000791782786 1077568654 /nfs/dbraw/zinc/56/86/54/1077568654.db2.gz JPUUEWMZGCEFIU-CYBMUJFWSA-N 0 0 411.354 2.503 20 5 HFBDRN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000791788182 1077570040 /nfs/dbraw/zinc/57/00/40/1077570040.db2.gz SMEKIFDIUPNRHP-MRXNPFEDSA-N 0 0 407.348 2.743 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000791863376 1077573235 /nfs/dbraw/zinc/57/32/35/1077573235.db2.gz HYFOUWORVXKVON-HNNXBMFYSA-N 0 0 409.420 2.638 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000789439563 1077573410 /nfs/dbraw/zinc/57/34/10/1077573410.db2.gz ATBOZQKBXXBKFH-UHFFFAOYSA-N 0 0 421.498 2.886 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000789441008 1077573715 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AVDGRNFWCDVCMS-UHFFFAOYSA-N 0 0 400.347 2.638 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000791965621 1077637321 /nfs/dbraw/zinc/63/73/21/1077637321.db2.gz VACIIDJIUMMDII-SFHVURJKSA-N 0 0 419.365 2.759 20 5 HFBDRN COc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)cc(-n2cccn2)c1 ZINC000792001479 1077643296 /nfs/dbraw/zinc/64/32/96/1077643296.db2.gz HZHPZMFQIRSQRF-IBGZPJMESA-N 0 0 407.386 2.921 20 5 HFBDRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)c1ccncc1Cl ZINC000792109217 1077700640 /nfs/dbraw/zinc/70/06/40/1077700640.db2.gz FRZPWPPEFTVHLL-UHFFFAOYSA-N 0 0 405.794 2.520 20 5 HFBDRN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O ZINC000789598171 1077702956 /nfs/dbraw/zinc/70/29/56/1077702956.db2.gz WIARSIDHDUQFHE-LJQANCHMSA-N 0 0 414.374 2.787 20 5 HFBDRN COc1ccc(OC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000792117270 1077703818 /nfs/dbraw/zinc/70/38/18/1077703818.db2.gz CSGPOQCXSCALHP-UHFFFAOYSA-N 0 0 420.443 2.997 20 5 HFBDRN O=C(O[C@H]([C@@H]1CCCOC1)C(F)(F)F)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000789664212 1077709168 /nfs/dbraw/zinc/70/91/68/1077709168.db2.gz YNLMYRUMTCPUKH-QMTHXVAHSA-N 0 0 400.313 2.690 20 5 HFBDRN CC(C)(C(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000792131259 1077717411 /nfs/dbraw/zinc/71/74/11/1077717411.db2.gz XWCSCWDFNZPUHG-UHFFFAOYSA-N 0 0 423.418 2.841 20 5 HFBDRN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2=O)cc1C ZINC000789658137 1077722731 /nfs/dbraw/zinc/72/27/31/1077722731.db2.gz BYKLZUHHTBCUHN-JOCHJYFZSA-N 0 0 422.441 2.568 20 5 HFBDRN O=C(NCC(F)(F)c1ccccc1)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000789685718 1077726476 /nfs/dbraw/zinc/72/64/76/1077726476.db2.gz FZVUGVIFLNSAKD-LBPRGKRZSA-N 0 0 407.348 2.995 20 5 HFBDRN O=C(NCC(F)(F)c1ccccc1)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000789687088 1077727868 /nfs/dbraw/zinc/72/78/68/1077727868.db2.gz QOYGQVMHLWPEMY-UHFFFAOYSA-N 0 0 409.301 2.796 20 5 HFBDRN COc1ccc(OC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000792123604 1077729180 /nfs/dbraw/zinc/72/91/80/1077729180.db2.gz GANKUNJPDZNOJS-CQSZACIVSA-N 0 0 410.423 2.925 20 5 HFBDRN NS(=O)(=O)c1ccc2c(c1)N(Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000792174333 1077734496 /nfs/dbraw/zinc/73/44/96/1077734496.db2.gz FHJZIPSWJYEYAP-UHFFFAOYSA-N 0 0 412.265 2.567 20 5 HFBDRN O=C(c1ccc(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1F)N1CCOCC1 ZINC000789670588 1077735661 /nfs/dbraw/zinc/73/56/61/1077735661.db2.gz APSSSQFBPBMHRO-UHFFFAOYSA-N 0 0 404.354 2.727 20 5 HFBDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000792196043 1077741324 /nfs/dbraw/zinc/74/13/24/1077741324.db2.gz VAHJNLFDASCLIQ-GFCCVEGCSA-N 0 0 420.470 2.916 20 5 HFBDRN COc1ccc(S(=O)(=O)Nc2c(C)ccnc2Br)c([N+](=O)[O-])c1 ZINC000789736291 1077743213 /nfs/dbraw/zinc/74/32/13/1077743213.db2.gz XPBZCCYLCCQBAY-UHFFFAOYSA-N 0 0 402.226 2.870 20 5 HFBDRN O=C(COC(=O)c1cnn(-c2cccnc2)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792235505 1077757518 /nfs/dbraw/zinc/75/75/18/1077757518.db2.gz TWYYIAFDHCEOPI-UHFFFAOYSA-N 0 0 401.766 2.624 20 5 HFBDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c1OC ZINC000789736909 1077772262 /nfs/dbraw/zinc/77/22/62/1077772262.db2.gz HRPPKVWPHHFFBA-UHFFFAOYSA-N 0 0 418.786 2.983 20 5 HFBDRN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000792314086 1077802424 /nfs/dbraw/zinc/80/24/24/1077802424.db2.gz PMVGZKYAHXZUIL-UHFFFAOYSA-N 0 0 400.391 2.727 20 5 HFBDRN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000792364084 1077816499 /nfs/dbraw/zinc/81/64/99/1077816499.db2.gz ZAOBLAWVXKUTPJ-UHFFFAOYSA-N 0 0 422.800 2.791 20 5 HFBDRN C[C@H](O)[C@](C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000792400022 1077835034 /nfs/dbraw/zinc/83/50/34/1077835034.db2.gz RWXYDTOMOIFALI-RBZFPXEDSA-N 0 0 419.865 2.933 20 5 HFBDRN C[C@@H](O)[C@](C)(CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000792400026 1077835398 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DMIVJVWYHNPRCV-SNVBAGLBSA-N 0 0 416.297 2.958 20 5 HFBDRN CCOC(=O)CCC(=O)COC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000792476466 1077874999 /nfs/dbraw/zinc/87/49/99/1077874999.db2.gz WOIAWOVMTIMKPD-UHFFFAOYSA-N 0 0 402.197 2.735 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])c(N[C@@H](CCc2ccccc2)C(=O)OC)cc1OC ZINC001170173355 1077898190 /nfs/dbraw/zinc/89/81/90/1077898190.db2.gz RMOYWUNQWVGDOY-HNNXBMFYSA-N 0 0 402.403 2.976 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CO)CC(C)(C)C ZINC000790038727 1077907279 /nfs/dbraw/zinc/90/72/79/1077907279.db2.gz MMCVLBYMHWDILK-SNVBAGLBSA-N 0 0 409.302 2.741 20 5 HFBDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000790044586 1077909664 /nfs/dbraw/zinc/90/96/64/1077909664.db2.gz COEFLMOSYOZRIP-UHFFFAOYSA-N 0 0 419.337 2.783 20 5 HFBDRN CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)c1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001170238660 1077914549 /nfs/dbraw/zinc/91/45/49/1077914549.db2.gz SHSAKAYDBZCEDT-QEORTHHSSA-N 0 0 415.462 2.965 20 5 HFBDRN CNC(=O)c1cc2cc(NC(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)ccc2[nH]1 ZINC000792577694 1077915204 /nfs/dbraw/zinc/91/52/04/1077915204.db2.gz JMSOVEHRAZKUAR-GOSISDBHSA-N 0 0 407.386 2.567 20 5 HFBDRN CCC[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000792573669 1077919379 /nfs/dbraw/zinc/91/93/79/1077919379.db2.gz MKRYGWNMSMWCIQ-HNAYVOBHSA-N 0 0 417.487 2.804 20 5 HFBDRN CC(C)c1ccoc1C(=O)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000792597219 1077919574 /nfs/dbraw/zinc/91/95/74/1077919574.db2.gz FXQVYBKSNHZNIC-UHFFFAOYSA-N 0 0 401.419 2.817 20 5 HFBDRN CCCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H](COC)C(=O)OCC ZINC000792601249 1077921162 /nfs/dbraw/zinc/92/11/62/1077921162.db2.gz CQYJSRXOWLMTMO-CQSZACIVSA-N 0 0 417.256 2.788 20 5 HFBDRN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCCN1Cc1ccccn1 ZINC000790074520 1077922937 /nfs/dbraw/zinc/92/29/37/1077922937.db2.gz FNNXDNHTQDOIOK-IBGZPJMESA-N 0 0 413.430 2.954 20 5 HFBDRN C[C@@H](OC(=O)[C@@H]1CCCCN1Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000790080308 1077925268 /nfs/dbraw/zinc/92/52/68/1077925268.db2.gz WFMOZWGTYMWDQY-BEFAXECRSA-N 0 0 412.446 2.915 20 5 HFBDRN C[C@@H](OC(=O)[C@H]1CCCCN1Cc1ccccn1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000790080311 1077925278 /nfs/dbraw/zinc/92/52/78/1077925278.db2.gz WFMOZWGTYMWDQY-DNVCBOLYSA-N 0 0 412.446 2.915 20 5 HFBDRN Nc1ncc2c(n1)CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C2 ZINC000790060589 1077935214 /nfs/dbraw/zinc/93/52/14/1077935214.db2.gz XQHWQGWSGOJMQF-UHFFFAOYSA-N 0 0 412.631 2.581 20 5 HFBDRN C[C@@H](O)CN(CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC(F)F ZINC001170314832 1077941162 /nfs/dbraw/zinc/94/11/62/1077941162.db2.gz GKOLQIUPXGNVCE-SNVBAGLBSA-N 0 0 400.407 2.605 20 5 HFBDRN CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cnn(C)n1 ZINC000790115510 1077942604 /nfs/dbraw/zinc/94/26/04/1077942604.db2.gz GKFTUVAJPZLBSJ-UHFFFAOYSA-N 0 0 401.404 2.881 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001170352597 1077948563 /nfs/dbraw/zinc/94/85/63/1077948563.db2.gz OKVBPCGSQVOCGG-RDJZCZTQSA-N 0 0 423.510 2.838 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)Cc1cc2ccccc2c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001170357136 1077949332 /nfs/dbraw/zinc/94/93/32/1077949332.db2.gz KWJYCOLBUQILAL-OAQYLSRUSA-N 0 0 409.398 2.596 20 5 HFBDRN COC(=O)[C@](C)(NC(=O)[C@H](O)[C@@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001170358193 1077949776 /nfs/dbraw/zinc/94/97/76/1077949776.db2.gz XXJPRGKQOLLTAH-FIKMYACPSA-N 0 0 400.431 2.572 20 5 HFBDRN CCOC(=O)C1([S@](C)=O)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001170366432 1077951201 /nfs/dbraw/zinc/95/12/01/1077951201.db2.gz XJHMAXMAOCMASI-LJAQVGFWSA-N 0 0 421.475 2.526 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCO[C@]3(CCCN(C(=O)C(C)C)C3)C2)c([N+](=O)[O-])c1 ZINC001170339401 1077952306 /nfs/dbraw/zinc/95/23/06/1077952306.db2.gz AZZVBYNBHHLPDZ-HTAPYJJXSA-N 0 0 419.522 2.884 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCn3c(COCC4CC4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339196 1077952382 /nfs/dbraw/zinc/95/23/82/1077952382.db2.gz IEAQCONXOJBTCF-AWEZNQCLSA-N 0 0 401.467 2.568 20 5 HFBDRN C[C@H](CN1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000790132258 1077952906 /nfs/dbraw/zinc/95/29/06/1077952906.db2.gz MXDIYPPXUWVLRI-QGZVFWFLSA-N 0 0 404.511 2.624 20 5 HFBDRN COc1ccc(-c2nc(C[S@](=O)CCn3cc([N+](=O)[O-])cn3)cs2)cc1OC ZINC000772816459 1077961737 /nfs/dbraw/zinc/96/17/37/1077961737.db2.gz HCQPOFMBACMVLO-MUUNZHRXSA-N 0 0 422.488 2.881 20 5 HFBDRN CC(C)Oc1cc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)ccc1C(N)=O ZINC000790161656 1077963048 /nfs/dbraw/zinc/96/30/48/1077963048.db2.gz JOMCUVJFLGNADM-SFHVURJKSA-N 0 0 412.402 2.613 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000746884907 1077965261 /nfs/dbraw/zinc/96/52/61/1077965261.db2.gz DLDKQWFOHKVQJL-ZENOOKHLSA-N 0 0 406.439 2.525 20 5 HFBDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cn2c3cc([N+](=O)[O-])ccc3oc2=S)cn1 ZINC000792711548 1077972086 /nfs/dbraw/zinc/97/20/86/1077972086.db2.gz AOSYCLKRZARGML-HBIPHATFSA-N 0 0 421.504 2.851 20 5 HFBDRN COC(=O)c1cc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c([N+](=O)[O-])c1 ZINC000792737266 1077980485 /nfs/dbraw/zinc/98/04/85/1077980485.db2.gz YODUQRJAJYOMIS-UHFFFAOYSA-N 0 0 402.363 2.957 20 5 HFBDRN COc1cc(C(=O)N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)cc([N+](=O)[O-])c1C ZINC000790283426 1077984682 /nfs/dbraw/zinc/98/46/82/1077984682.db2.gz GUWQSVLPUTYXME-HNNXBMFYSA-N 0 0 402.403 2.618 20 5 HFBDRN COC(=O)[C@@H](CC(C)C)NC(=O)COc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000790294885 1077988168 /nfs/dbraw/zinc/98/81/68/1077988168.db2.gz BDSZRMXUSHFENG-LLVKDONJSA-N 0 0 421.219 2.579 20 5 HFBDRN CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OC[C@H]1CC2(CCC2)C(=O)O1 ZINC000790263186 1077989875 /nfs/dbraw/zinc/98/98/75/1077989875.db2.gz KTGRWTVSFHKSPN-OAHLLOKOSA-N 0 0 415.402 2.822 20 5 HFBDRN C[C@@H](CNC(=O)OC(C)(C)C)CNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000790270093 1077991986 /nfs/dbraw/zinc/99/19/86/1077991986.db2.gz IPLYHPUWXLKIKH-OAHLLOKOSA-N 0 0 408.499 3.000 20 5 HFBDRN C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000790272487 1077992469 /nfs/dbraw/zinc/99/24/69/1077992469.db2.gz PZKVUPVIDSMKAE-INIZCTEOSA-N 0 0 420.510 2.873 20 5 HFBDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000790272182 1077992661 /nfs/dbraw/zinc/99/26/61/1077992661.db2.gz SZTBCMJDNWUMBR-QGZVFWFLSA-N 0 0 420.510 2.873 20 5 HFBDRN Cn1c(=O)c2ccc([N+](=O)[O-])cc2nc1SCCS(=O)(=O)c1ccc(F)cc1 ZINC000790315446 1077995200 /nfs/dbraw/zinc/99/52/00/1077995200.db2.gz OXDCEKMZYVBMHR-UHFFFAOYSA-N 0 0 423.447 2.547 20 5 HFBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)c(C)c1S(=O)(=O)NC1CC1 ZINC000792830363 1078007214 /nfs/dbraw/zinc/00/72/14/1078007214.db2.gz HFOHFUCBDWCQMM-UHFFFAOYSA-N 0 0 422.438 2.626 20 5 HFBDRN O=C(COC(=O)[C@]1(O)CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000792802616 1078009043 /nfs/dbraw/zinc/00/90/43/1078009043.db2.gz YRMZWPNZKFRWGF-IBGZPJMESA-N 0 0 404.806 2.650 20 5 HFBDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnc(OC)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000792858385 1078009736 /nfs/dbraw/zinc/00/97/36/1078009736.db2.gz LDDWOZMYBJXPET-SECBINFHSA-N 0 0 409.782 2.844 20 5 HFBDRN C[C@@H](Cn1ncc2ccccc21)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000792847752 1078014064 /nfs/dbraw/zinc/01/40/64/1078014064.db2.gz TXRSMPWJRORNAF-LBPRGKRZSA-N 0 0 400.366 2.902 20 5 HFBDRN Cc1cc(CS(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)no1 ZINC000790366810 1078015335 /nfs/dbraw/zinc/01/53/35/1078015335.db2.gz GKBPPUXWHPBNOB-UHFFFAOYSA-N 0 0 416.253 2.542 20 5 HFBDRN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)c(=O)[nH]1 ZINC000790404428 1078019224 /nfs/dbraw/zinc/01/92/24/1078019224.db2.gz QSZVVNZTNLNYGM-UHFFFAOYSA-N 0 0 402.226 2.876 20 5 HFBDRN CSc1nc2nc(C)c(CC(=O)OCc3ccc([N+](=O)[O-])cc3F)c(C)n2n1 ZINC000746909691 1078019698 /nfs/dbraw/zinc/01/96/98/1078019698.db2.gz HGELCHQQSXBDCO-UHFFFAOYSA-N 0 0 405.411 2.796 20 5 HFBDRN C[C@]12CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]1C2(Cl)Cl ZINC000792909221 1078021284 /nfs/dbraw/zinc/02/12/84/1078021284.db2.gz SXSQYIAOVSCGBP-HIFRSBDPSA-N 0 0 402.234 2.778 20 5 HFBDRN O=[N+]([O-])c1ncccc1S(=O)(=O)Oc1ccc(-c2ncc3n2CCCC3)cc1 ZINC000790421863 1078022533 /nfs/dbraw/zinc/02/25/33/1078022533.db2.gz HIJHDWKDNBNDMK-UHFFFAOYSA-N 0 0 400.416 2.957 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2ncc(C(C)(C)O)s2)cc1[N+](=O)[O-] ZINC000792917963 1078025653 /nfs/dbraw/zinc/02/56/53/1078025653.db2.gz UBWDLAAXPBSXMU-UHFFFAOYSA-N 0 0 420.476 2.811 20 5 HFBDRN C[S@@](=O)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F ZINC000747091096 1078029062 /nfs/dbraw/zinc/02/90/62/1078029062.db2.gz HNMLLPGRMMWJDD-MUUNZHRXSA-N 0 0 406.439 2.825 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CC[C@]3(C2)CCCOC3)c1 ZINC000790451355 1078035905 /nfs/dbraw/zinc/03/59/05/1078035905.db2.gz PSUJACSMSCOUEP-AWEZNQCLSA-N 0 0 405.270 2.549 20 5 HFBDRN Cc1cc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000792967584 1078038033 /nfs/dbraw/zinc/03/80/33/1078038033.db2.gz PHYLLTNOCXKMQX-AWEZNQCLSA-N 0 0 423.223 2.956 20 5 HFBDRN Cn1cc(C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)cn1 ZINC000792994631 1078043157 /nfs/dbraw/zinc/04/31/57/1078043157.db2.gz ADSSUYNANVWHKR-CQSZACIVSA-N 0 0 413.478 2.656 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000747318878 1079574322 /nfs/dbraw/zinc/57/43/22/1079574322.db2.gz FHNDWYKVDCUANE-UHFFFAOYSA-N 0 0 423.466 2.989 20 5 HFBDRN C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000806379977 1079628223 /nfs/dbraw/zinc/62/82/23/1079628223.db2.gz FPZQSSJIDNQNEH-CABCVRRESA-N 0 0 405.455 2.667 20 5 HFBDRN CC1CCN(c2ccc(C(=O)NCc3cc(=O)n4ccccc4n3)cc2[N+](=O)[O-])CC1 ZINC001130617976 1079688718 /nfs/dbraw/zinc/68/87/18/1079688718.db2.gz RWGKJFOPHSSGLA-UHFFFAOYSA-N 0 0 421.457 2.769 20 5 HFBDRN COC(=O)[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H](OC)C1 ZINC001130631665 1079713732 /nfs/dbraw/zinc/71/37/32/1079713732.db2.gz VSVJCGJRUOERSM-TUKIKUTGSA-N 0 0 400.378 2.550 20 5 HFBDRN COC(=O)c1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000805265973 1079854516 /nfs/dbraw/zinc/85/45/16/1079854516.db2.gz UWGBUOLEEVTSBU-NHYWBVRUSA-N 0 0 407.423 2.509 20 5 HFBDRN CS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3F)CCC2)cc1[N+](=O)[O-] ZINC001130719157 1079940606 /nfs/dbraw/zinc/94/06/06/1079940606.db2.gz ZWQLOFOUAMUTLY-UHFFFAOYSA-N 0 0 406.435 2.989 20 5 HFBDRN C[C@H]1CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)C2(CCC2)CO1 ZINC001130752441 1080023152 /nfs/dbraw/zinc/02/31/52/1080023152.db2.gz SUMXFJDWTKDYDJ-JTQLQIEISA-N 0 0 416.215 2.983 20 5 HFBDRN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130758553 1080044158 /nfs/dbraw/zinc/04/41/58/1080044158.db2.gz DJLAPTKYDAGVFZ-SFHVURJKSA-N 0 0 421.392 3.000 20 5 HFBDRN CCOc1cc(NC(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)ccc1[N+](=O)[O-] ZINC001130798600 1080185477 /nfs/dbraw/zinc/18/54/77/1080185477.db2.gz HJVMCQGYQNMFPY-AWEZNQCLSA-N 0 0 424.504 2.987 20 5 HFBDRN C[C@@H](COc1c(F)cccc1F)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001130813554 1080211859 /nfs/dbraw/zinc/21/18/59/1080211859.db2.gz IZRMTSDTAFJEGV-ZDUSSCGKSA-N 0 0 421.400 2.907 20 5 HFBDRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[C@@H](N2CCOC2=O)C1 ZINC001130824082 1080233757 /nfs/dbraw/zinc/23/37/57/1080233757.db2.gz BLCSKHQZFPGRPI-LLVKDONJSA-N 0 0 419.381 2.759 20 5 HFBDRN COCC1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CCCC1 ZINC001130898371 1080446732 /nfs/dbraw/zinc/44/67/32/1080446732.db2.gz OLSRYPBNRWOCHD-UHFFFAOYSA-N 0 0 404.204 2.888 20 5 HFBDRN CC(C)CCc1nnc(NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC001130914957 1080532102 /nfs/dbraw/zinc/53/21/02/1080532102.db2.gz VINIXZLVMCTIGA-LLVKDONJSA-N 0 0 407.452 2.871 20 5 HFBDRN CC(C)CCc1nnc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC001130914958 1080532219 /nfs/dbraw/zinc/53/22/19/1080532219.db2.gz VINIXZLVMCTIGA-NSHDSACASA-N 0 0 407.452 2.871 20 5 HFBDRN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H](OC1CCCC1)C(F)(F)F ZINC001130915536 1080537714 /nfs/dbraw/zinc/53/77/14/1080537714.db2.gz AZHQNUVPQJTUSU-AWEZNQCLSA-N 0 0 417.340 2.509 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](CCO)c1ccc(Cl)cc1 ZINC000807514629 1080667520 /nfs/dbraw/zinc/66/75/20/1080667520.db2.gz LIASZEXOQBGVDI-CQSZACIVSA-N 0 0 409.801 2.874 20 5 HFBDRN CCN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccc(N2CCOCC2)cc1 ZINC001130976145 1080773780 /nfs/dbraw/zinc/77/37/80/1080773780.db2.gz HRVSEOSTHJTPGJ-OAQYLSRUSA-N 0 0 424.457 2.978 20 5 HFBDRN O=C(NC[C@@H](CO)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807522731 1080775466 /nfs/dbraw/zinc/77/54/66/1080775466.db2.gz ZEJIXIZYBDFQCD-NSHDSACASA-N 0 0 412.229 2.732 20 5 HFBDRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164664892 719360152 /nfs/dbraw/zinc/36/01/52/719360152.db2.gz RPJBSTPRHVESGO-VIFPVBQESA-N 0 0 402.789 2.550 20 5 HFBDRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2 ZINC001164664891 719360251 /nfs/dbraw/zinc/36/02/51/719360251.db2.gz RPJBSTPRHVESGO-SECBINFHSA-N 0 0 402.789 2.550 20 5 HFBDRN O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCc3nnc(Cn4cccc4)n3CC2)c1 ZINC001164710929 720089724 /nfs/dbraw/zinc/08/97/24/720089724.db2.gz KOXRHHKRXFUVKY-UHFFFAOYSA-N 0 0 423.811 2.692 20 5 HFBDRN O=C1[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@H]2CN1Cc1ccncc1 ZINC001164855628 720810123 /nfs/dbraw/zinc/81/01/23/720810123.db2.gz XNJQTDQMCBUXCC-CHWSQXEVSA-N 0 0 423.807 2.678 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@@H]2CN1c1cccnc1 ZINC001165025380 721790037 /nfs/dbraw/zinc/79/00/37/721790037.db2.gz VNNGZPPRTJPNHW-MFKMUULPSA-N 0 0 409.780 2.682 20 5 HFBDRN CSc1nc(Cl)nc(N2CCC3(CC2)c2ncc(C)n2CCN3C)c1[N+](=O)[O-] ZINC001164916595 721816291 /nfs/dbraw/zinc/81/62/91/721816291.db2.gz FGEXWXHQMHNUNJ-UHFFFAOYSA-N 0 0 423.930 2.706 20 5 HFBDRN CS[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000792995459 1078043647 /nfs/dbraw/zinc/04/36/47/1078043647.db2.gz KFVNDPYGGJPEJB-BXKDBHETSA-N 0 0 402.270 2.696 20 5 HFBDRN CN(Cc1ncc(Cl)n1C)C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793018821 1078050940 /nfs/dbraw/zinc/05/09/40/1078050940.db2.gz JDKIVHWTJKGQGX-UHFFFAOYSA-N 0 0 407.858 2.876 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCc1ccccc1Cn1cncn1 ZINC000790533256 1078052393 /nfs/dbraw/zinc/05/23/93/1078052393.db2.gz SQGOALWOFCKPOA-UHFFFAOYSA-N 0 0 403.801 2.886 20 5 HFBDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])cn2)CCO1 ZINC000790537245 1078053279 /nfs/dbraw/zinc/05/32/79/1078053279.db2.gz BICWKOCOKNJWIV-LBPRGKRZSA-N 0 0 422.844 2.866 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000790556520 1078055316 /nfs/dbraw/zinc/05/53/16/1078055316.db2.gz SVFOUBABUQIDLE-GFCCVEGCSA-N 0 0 419.796 2.774 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000790560645 1078056291 /nfs/dbraw/zinc/05/62/91/1078056291.db2.gz QZKJPKLEXMMINC-UHFFFAOYSA-N 0 0 423.803 2.940 20 5 HFBDRN Cc1c(CNC(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000790564991 1078056959 /nfs/dbraw/zinc/05/69/59/1078056959.db2.gz SBTWQKUCPSYLNM-MRXNPFEDSA-N 0 0 421.837 2.861 20 5 HFBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C(F)(F)Cc2ccccc2)CC1 ZINC000793051923 1078057286 /nfs/dbraw/zinc/05/72/86/1078057286.db2.gz PRDNZVXEQAGRAP-UHFFFAOYSA-N 0 0 409.414 2.819 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccsc2)CC1 ZINC000790543882 1078059653 /nfs/dbraw/zinc/05/96/53/1078059653.db2.gz XYQFISKGUILPHQ-UHFFFAOYSA-N 0 0 411.842 2.976 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)NOCCC(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000793063167 1078060270 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COc1cccc(C(C)(C)C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC001129439521 1078466167 /nfs/dbraw/zinc/46/61/67/1078466167.db2.gz BZYDEHYANJCURC-UHFFFAOYSA-N 0 0 411.458 2.866 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)cc1 ZINC001129461878 1078468296 /nfs/dbraw/zinc/46/82/96/1078468296.db2.gz XPUWIPRHALMXAN-UHFFFAOYSA-N 0 0 407.400 2.517 20 5 HFBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCc2nccc(C(F)F)n2)c1 ZINC001129475427 1078475243 /nfs/dbraw/zinc/47/52/43/1078475243.db2.gz ZQTGYQKEKVSXCR-UHFFFAOYSA-N 0 0 402.361 2.806 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@H](C)[S@@]1=O ZINC000804435334 1078478061 /nfs/dbraw/zinc/47/80/61/1078478061.db2.gz MGQCQDDFMHTBIY-WANDFBQESA-N 0 0 400.522 2.705 20 5 HFBDRN CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000804653358 1078481079 /nfs/dbraw/zinc/48/10/79/1078481079.db2.gz WHHLJAFPWOJVGP-HNNXBMFYSA-N 0 0 406.439 2.559 20 5 HFBDRN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439948 1078504859 /nfs/dbraw/zinc/50/48/59/1078504859.db2.gz ODPFDEGPEGLATE-PKOBYXMFSA-N 0 0 416.522 2.766 20 5 HFBDRN COc1ccc(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c(OC(C)C)c1 ZINC001129495800 1078515177 /nfs/dbraw/zinc/51/51/77/1078515177.db2.gz LZXDSCJGJRIMBP-UHFFFAOYSA-N 0 0 400.435 2.748 20 5 HFBDRN CCN1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3C(C)=O)CC2)CC1 ZINC000804443003 1078508804 /nfs/dbraw/zinc/50/88/04/1078508804.db2.gz ACOIXHZHTOJKNE-UHFFFAOYSA-N 0 0 402.495 2.568 20 5 HFBDRN Cc1cc(F)cc(C(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)c1[N+](=O)[O-] ZINC000759982860 1078509683 /nfs/dbraw/zinc/50/96/83/1078509683.db2.gz ZRRZCAJMNUMUOF-UHFFFAOYSA-N 0 0 423.466 2.907 20 5 HFBDRN CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000804676383 1078513558 /nfs/dbraw/zinc/51/35/58/1078513558.db2.gz XXYXCYSDHAXCTH-CQSZACIVSA-N 0 0 408.411 2.976 20 5 HFBDRN Cc1oc(-c2ccsc2)nc1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129496167 1078515463 /nfs/dbraw/zinc/51/54/63/1078515463.db2.gz VYYBOOBDTMYUIK-UHFFFAOYSA-N 0 0 413.459 2.906 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000804448585 1078516898 /nfs/dbraw/zinc/51/68/98/1078516898.db2.gz CGOQIAJOGMWRMT-UHFFFAOYSA-N 0 0 409.386 2.771 20 5 HFBDRN C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1Cc1ccccc1 ZINC001129829429 1078523390 /nfs/dbraw/zinc/52/33/90/1078523390.db2.gz YIDOVAQMMFFFEY-IIBYNOLFSA-N 0 0 408.458 2.821 20 5 HFBDRN Cn1cnnc1Sc1ccc(C(=O)Nc2cccc3c2CN(C)C3=O)cc1[N+](=O)[O-] ZINC001129801929 1078525828 /nfs/dbraw/zinc/52/58/28/1078525828.db2.gz UIZKYXOMFMTVBZ-UHFFFAOYSA-N 0 0 424.442 2.712 20 5 HFBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000804463987 1078527362 /nfs/dbraw/zinc/52/73/62/1078527362.db2.gz LLXPRDFKAWWNGW-UHFFFAOYSA-N 0 0 420.447 2.909 20 5 HFBDRN Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1 ZINC000804468516 1078532623 /nfs/dbraw/zinc/53/26/23/1078532623.db2.gz SGSAGEKXDFLETG-BTYIYWSLSA-N 0 0 422.441 2.609 20 5 HFBDRN COC(=O)c1cc(C)nc(N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000804496594 1078552605 /nfs/dbraw/zinc/55/26/05/1078552605.db2.gz YFRCLLOJSWMQCZ-FZMZJTMJSA-N 0 0 408.455 2.824 20 5 HFBDRN O=C(N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)c1cc2n(n1)CCCC2=O ZINC001129882613 1078554708 /nfs/dbraw/zinc/55/47/08/1078554708.db2.gz NQDTWKMWPBPDKW-AWEZNQCLSA-N 0 0 400.288 2.940 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1c1ccccc1 ZINC001129607117 1078577601 /nfs/dbraw/zinc/57/76/01/1078577601.db2.gz ZTBICMHHDKLYHU-IAGOWNOFSA-N 0 0 420.425 2.809 20 5 HFBDRN Cc1ncccc1NC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001129609743 1078580026 /nfs/dbraw/zinc/58/00/26/1078580026.db2.gz AAYYXUZEWSLGAR-RYUDHWBXSA-N 0 0 406.826 2.862 20 5 HFBDRN O=C(c1cnn(-c2cccc(Cl)c2)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001129610668 1078581095 /nfs/dbraw/zinc/58/10/95/1078581095.db2.gz SCZITJCSQZMIDJ-UHFFFAOYSA-N 0 0 412.837 2.791 20 5 HFBDRN COc1cc(OC)cc(-n2nnnc2CN(C)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000804537718 1078585335 /nfs/dbraw/zinc/58/53/35/1078585335.db2.gz CXQNSGSFJOKDRI-UHFFFAOYSA-N 0 0 404.814 2.878 20 5 HFBDRN COc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000804567174 1078602345 /nfs/dbraw/zinc/60/23/45/1078602345.db2.gz MADFSFKTQKTUPO-UHFFFAOYSA-N 0 0 412.446 2.567 20 5 HFBDRN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804568313 1078603363 /nfs/dbraw/zinc/60/33/63/1078603363.db2.gz ZALBQNIPQFZCLJ-QWHCGFSZSA-N 0 0 419.482 2.525 20 5 HFBDRN COCC(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001129926486 1078620018 /nfs/dbraw/zinc/62/00/18/1078620018.db2.gz XZYVXZIBDKTJLU-UHFFFAOYSA-N 0 0 400.273 2.540 20 5 HFBDRN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](OC)C12CCC2 ZINC001129668643 1078627907 /nfs/dbraw/zinc/62/79/07/1078627907.db2.gz OKRYZJQGSOTJAI-HZPDHXFCSA-N 0 0 408.476 2.937 20 5 HFBDRN Cc1nc(S(=O)(=O)N2CCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cs1 ZINC000747215797 1078640022 /nfs/dbraw/zinc/64/00/22/1078640022.db2.gz AWBRLGBLULDRGY-UHFFFAOYSA-N 0 0 416.912 2.832 20 5 HFBDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000804790482 1078646923 /nfs/dbraw/zinc/64/69/23/1078646923.db2.gz DEFKHNVGLDWAJX-WRWORJQWSA-N 0 0 404.313 2.747 20 5 HFBDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000804790198 1078648940 /nfs/dbraw/zinc/64/89/40/1078648940.db2.gz BGQKWFHABOKGTO-IAQYHMDHSA-N 0 0 423.413 2.535 20 5 HFBDRN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000804810952 1078655774 /nfs/dbraw/zinc/65/57/74/1078655774.db2.gz MORGUPDYYAMEJV-JQWIXIFHSA-N 0 0 406.302 2.877 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC001129722967 1078674302 /nfs/dbraw/zinc/67/43/02/1078674302.db2.gz YBLLYXADFFKHSX-INIZCTEOSA-N 0 0 417.466 2.849 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000804834315 1078675411 /nfs/dbraw/zinc/67/54/11/1078675411.db2.gz FXBCAQMRBCYYBD-OAHLLOKOSA-N 0 0 421.454 2.634 20 5 HFBDRN Cc1cc(=O)c(C(=O)N2CCSC3(CCC3)CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC001129709488 1078689983 /nfs/dbraw/zinc/68/99/83/1078689983.db2.gz VILZOAMDVQGTGP-UHFFFAOYSA-N 0 0 414.487 2.951 20 5 HFBDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000804642664 1078696525 /nfs/dbraw/zinc/69/65/25/1078696525.db2.gz PYSDPRWXVKFECC-LSDHHAIUSA-N 0 0 416.434 2.586 20 5 HFBDRN COc1c(Br)c([N+](=O)[O-])c(NC[C@@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000804644276 1078698274 /nfs/dbraw/zinc/69/82/74/1078698274.db2.gz FXUBSKDONXLZDB-SSDOTTSWSA-N 0 0 415.204 2.618 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC1(CS(C)(=O)=O)CCC1 ZINC001129764974 1078707558 /nfs/dbraw/zinc/70/75/58/1078707558.db2.gz VRFQVMDILNSDCN-UHFFFAOYSA-N 0 0 419.297 2.610 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000804880406 1078705951 /nfs/dbraw/zinc/70/59/51/1078705951.db2.gz ILZBUQUJYJPTKA-INIZCTEOSA-N 0 0 421.450 2.528 20 5 HFBDRN COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)cc1SC ZINC001129766201 1078708477 /nfs/dbraw/zinc/70/84/77/1078708477.db2.gz UUOYSUXUFLPHEN-NHYWBVRUSA-N 0 0 406.464 2.709 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)CSc1ccccc1[N+](=O)[O-] ZINC000804633244 1078710559 /nfs/dbraw/zinc/71/05/59/1078710559.db2.gz LZQGFFAJRKQPNT-HUUCEWRRSA-N 0 0 423.491 2.583 20 5 HFBDRN COc1cc(F)c([N+](=O)[O-])c(NCCNS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000747204531 1078724431 /nfs/dbraw/zinc/72/44/31/1078724431.db2.gz UQEDQHBEXBSCSN-UHFFFAOYSA-N 0 0 403.819 2.786 20 5 HFBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000804639813 1078728097 /nfs/dbraw/zinc/72/80/97/1078728097.db2.gz YTUNVJJQOJNJGC-OTTBVJJXSA-N 0 0 403.435 2.504 20 5 HFBDRN Cc1noc([C@H]2CCCN2C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000804904604 1078759238 /nfs/dbraw/zinc/75/92/38/1078759238.db2.gz PVBJSZNSAFKILR-CYBMUJFWSA-N 0 0 424.255 2.849 20 5 HFBDRN Cc1nc(-c2cc(NC(=O)Cn3c(C)ncc3[N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC001130011824 1078761836 /nfs/dbraw/zinc/76/18/36/1078761836.db2.gz ZMBDAFNMCKYWRD-UHFFFAOYSA-N 0 0 409.328 2.851 20 5 HFBDRN Cc1nc(S(=O)(=O)N2CCCc3ccc([N+](=O)[O-])cc32)c(Br)n1C ZINC000804996069 1078846068 /nfs/dbraw/zinc/84/60/68/1078846068.db2.gz XTSWXHMAIFYJFB-UHFFFAOYSA-N 0 0 415.269 2.541 20 5 HFBDRN CN(C)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000805009141 1078854138 /nfs/dbraw/zinc/85/41/38/1078854138.db2.gz XUKGEBDFZKKHLP-UHFFFAOYSA-N 0 0 402.226 2.586 20 5 HFBDRN CC(=O)Nc1ncc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])s1 ZINC000805042106 1078859600 /nfs/dbraw/zinc/85/96/00/1078859600.db2.gz SZOKIUUFIZRKSV-UHFFFAOYSA-N 0 0 422.238 2.540 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N2CC[C@@H](C(=O)NCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001130069786 1078875875 /nfs/dbraw/zinc/87/58/75/1078875875.db2.gz ITOIVTMOBBXDKN-OAHLLOKOSA-N 0 0 414.437 2.578 20 5 HFBDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805106298 1078890578 /nfs/dbraw/zinc/89/05/78/1078890578.db2.gz CGNMHPHNLDLSTR-MRXNPFEDSA-N 0 0 413.496 2.789 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000805107547 1078892051 /nfs/dbraw/zinc/89/20/51/1078892051.db2.gz XETUFFXERIKDRO-HNNXBMFYSA-N 0 0 413.496 2.843 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000805113636 1078898980 /nfs/dbraw/zinc/89/89/80/1078898980.db2.gz KBYIKILRWSHIMX-HNNXBMFYSA-N 0 0 413.496 2.891 20 5 HFBDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121444 1078916987 /nfs/dbraw/zinc/91/69/87/1078916987.db2.gz DEMDBTFDTCBIEB-CQSZACIVSA-N 0 0 404.366 2.934 20 5 HFBDRN Cc1sc(S(=O)(=O)NC[C@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000805122247 1078921924 /nfs/dbraw/zinc/92/19/24/1078921924.db2.gz QIMMUQLCSSMUSH-LBPRGKRZSA-N 0 0 410.395 2.995 20 5 HFBDRN CS(=O)(=O)CCCCNC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001130124647 1078974802 /nfs/dbraw/zinc/97/48/02/1078974802.db2.gz JFRCWYMVXBOJEL-UHFFFAOYSA-N 0 0 414.427 2.647 20 5 HFBDRN CN(CC(=O)Nc1cccc2c1CNC2=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000805233726 1078977307 /nfs/dbraw/zinc/97/73/07/1078977307.db2.gz BTWZLAVAIGTIRZ-UHFFFAOYSA-N 0 0 419.235 2.676 20 5 HFBDRN O=C(Nc1cc(Cl)cc2c1OCC(=O)N2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000805240893 1078980054 /nfs/dbraw/zinc/98/00/54/1078980054.db2.gz CXLDHDBUBLXSGB-UHFFFAOYSA-N 0 0 405.779 2.836 20 5 HFBDRN Cn1cnc2c1nccc2C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000805210703 1078988474 /nfs/dbraw/zinc/98/84/74/1078988474.db2.gz MPYDTBAHOLHXNQ-UHFFFAOYSA-N 0 0 416.235 2.838 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000805429988 1079059587 /nfs/dbraw/zinc/05/95/87/1079059587.db2.gz QVURZFATDWQGHF-UHFFFAOYSA-N 0 0 418.427 2.575 20 5 HFBDRN CCn1cnc(S(=O)(=O)Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000747241251 1079064269 /nfs/dbraw/zinc/06/42/69/1079064269.db2.gz RFPCFWFPJSBXCY-UHFFFAOYSA-N 0 0 416.415 2.831 20 5 HFBDRN Cc1nn(CCC(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)c(C)c1[N+](=O)[O-] ZINC000805437956 1079064732 /nfs/dbraw/zinc/06/47/32/1079064732.db2.gz UNCJVEILZAGWEB-UHFFFAOYSA-N 0 0 400.313 2.638 20 5 HFBDRN COc1nc(C)cc(C)c1COC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000805486360 1079097503 /nfs/dbraw/zinc/09/75/03/1079097503.db2.gz HCVBHCSWWYLLLA-UHFFFAOYSA-N 0 0 419.346 2.652 20 5 HFBDRN O=C(COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000805449153 1079099263 /nfs/dbraw/zinc/09/92/63/1079099263.db2.gz IPZWKEQYJAQWKX-UHFFFAOYSA-N 0 0 421.291 2.629 20 5 HFBDRN CS(=O)(=O)c1ccc(OCCOC(=O)c2ccc([N+](=O)[O-])c3cccnc23)cc1 ZINC000805521134 1079116399 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HFBDRN CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001130553415 1079494649 /nfs/dbraw/zinc/49/46/49/1079494649.db2.gz BWBIQIFVGIRZSK-OAHLLOKOSA-N 0 0 415.450 2.902 20 5 HFBDRN O=C(NCCc1cc(F)ccc1F)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000747311138 1079495150 /nfs/dbraw/zinc/49/51/50/1079495150.db2.gz IHOKBUPOGCINAT-LBPRGKRZSA-N 0 0 407.348 2.724 20 5 HFBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000746678531 1076792627 /nfs/dbraw/zinc/79/26/27/1076792627.db2.gz KKCSEIKSSSYMKE-XHDPSFHLSA-N 0 0 413.858 2.618 20 5 HFBDRN Cc1cc(NC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)CCC1=O ZINC000787411325 1076796902 /nfs/dbraw/zinc/79/69/02/1076796902.db2.gz RJIBXLOYSZQKMV-UHFFFAOYSA-N 0 0 424.413 2.852 20 5 HFBDRN COc1ccc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)nc1Br ZINC000787501540 1076827570 /nfs/dbraw/zinc/82/75/70/1076827570.db2.gz HYBNQMIQRHZFOG-UHFFFAOYSA-N 0 0 408.208 2.664 20 5 HFBDRN O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787509013 1076829982 /nfs/dbraw/zinc/82/99/82/1076829982.db2.gz UUVFFPBRZLMXDV-UHFFFAOYSA-N 0 0 410.342 2.660 20 5 HFBDRN O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787593750 1076863777 /nfs/dbraw/zinc/86/37/77/1076863777.db2.gz RMDPPDZIEDGJEG-INIZCTEOSA-N 0 0 416.459 2.676 20 5 HFBDRN O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787594145 1076863810 /nfs/dbraw/zinc/86/38/10/1076863810.db2.gz ZMZUQSKPXMZOJP-UHFFFAOYSA-N 0 0 402.411 2.755 20 5 HFBDRN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000772703170 1076864959 /nfs/dbraw/zinc/86/49/59/1076864959.db2.gz FSNHTCPNSDELKS-GOSISDBHSA-N 0 0 417.849 2.656 20 5 HFBDRN Nc1ccc(C(=O)O[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1[N+](=O)[O-] ZINC000787567344 1076866273 /nfs/dbraw/zinc/86/62/73/1076866273.db2.gz JTSXXRDWRHJFRM-QGZVFWFLSA-N 0 0 405.357 2.803 20 5 HFBDRN O=C(COc1ccccc1[N+](=O)[O-])O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787568209 1076866558 /nfs/dbraw/zinc/86/65/58/1076866558.db2.gz RPMQWELKTOIGMA-SFHVURJKSA-N 0 0 420.368 2.986 20 5 HFBDRN COC(=O)c1cc(C(=O)O[C@@H](C)c2nnnn2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000787575617 1076869770 /nfs/dbraw/zinc/86/97/70/1076869770.db2.gz NROCVMRGNXQCCI-NSHDSACASA-N 0 0 403.395 2.791 20 5 HFBDRN Cc1n[nH]c(C)c1CCOC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000772703853 1076876651 /nfs/dbraw/zinc/87/66/51/1076876651.db2.gz OZVXPVQXSDQKIL-UHFFFAOYSA-N 0 0 415.187 2.939 20 5 HFBDRN O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCc1ccc(F)c(Cl)c1 ZINC000787669220 1076905141 /nfs/dbraw/zinc/90/51/41/1076905141.db2.gz LDOAEKCYLGLQJQ-UHFFFAOYSA-N 0 0 416.814 2.799 20 5 HFBDRN O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000787724242 1076931858 /nfs/dbraw/zinc/93/18/58/1076931858.db2.gz XPLOQTTWBDUCEP-UHFFFAOYSA-N 0 0 400.351 2.719 20 5 HFBDRN Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000787785586 1076945387 /nfs/dbraw/zinc/94/53/87/1076945387.db2.gz LBSZSGJVRQAQCC-UHFFFAOYSA-N 0 0 412.446 2.956 20 5 HFBDRN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1C ZINC000787800380 1076949136 /nfs/dbraw/zinc/94/91/36/1076949136.db2.gz VTOXRLXDZVBOBP-KAMYIIQDSA-N 0 0 404.444 2.711 20 5 HFBDRN Cc1c(C(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000787833272 1076957023 /nfs/dbraw/zinc/95/70/23/1076957023.db2.gz MWBWCJLRLQYYKK-MRXNPFEDSA-N 0 0 419.800 2.740 20 5 HFBDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(I)c1)c1cnn(C)c1 ZINC000787810407 1076966080 /nfs/dbraw/zinc/96/60/80/1076966080.db2.gz XGIFHBWSCHAVLF-MRVPVSSYSA-N 0 0 415.191 2.816 20 5 HFBDRN O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787916736 1076994755 /nfs/dbraw/zinc/99/47/55/1076994755.db2.gz MDWCEDJPTAAYPN-UHFFFAOYSA-N 0 0 424.457 2.813 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCN1CCc2ccccc2C1 ZINC000746715978 1077003431 /nfs/dbraw/zinc/00/34/31/1077003431.db2.gz 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ZINC000789193407 1077455078 /nfs/dbraw/zinc/45/50/78/1077455078.db2.gz NGYVFZRZLVJJNZ-CZUORRHYSA-N 0 0 400.387 2.947 20 5 HFBDRN C[C@H](OC(=O)c1ccc(O[C@@H]2CCOC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000789199891 1077457960 /nfs/dbraw/zinc/45/79/60/1077457960.db2.gz VBERQSAMMGKABM-SCLBCKFNSA-N 0 0 400.387 2.947 20 5 HFBDRN COc1ccc(NC(=O)COC(=O)[C@H]2CCCc3c(O)cccc32)c([N+](=O)[O-])c1 ZINC000789258787 1077478299 /nfs/dbraw/zinc/47/82/99/1077478299.db2.gz WZKRZQYPJBEOEY-HNNXBMFYSA-N 0 0 400.387 2.911 20 5 HFBDRN C[C@H](OC(=O)CN1CCc2ccccc2C1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000789276083 1077493370 /nfs/dbraw/zinc/49/33/70/1077493370.db2.gz UJBSNWQPSJIZLI-ZDUSSCGKSA-N 0 0 422.397 2.948 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2=O)c(C)c1 ZINC000789325112 1077519929 /nfs/dbraw/zinc/51/99/29/1077519929.db2.gz DLSPGEHWKCXWOJ-QGZVFWFLSA-N 0 0 415.421 2.960 20 5 HFBDRN O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccncc1Cl ZINC000791676106 1077525233 /nfs/dbraw/zinc/52/52/33/1077525233.db2.gz NMKOLRKSPPRXGW-JTQLQIEISA-N 0 0 421.768 2.561 20 5 HFBDRN Cc1ccccc1[C@H](CC(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(N)=O ZINC000791687384 1077528017 /nfs/dbraw/zinc/52/80/17/1077528017.db2.gz PWTARAHLQPFUJC-HNNXBMFYSA-N 0 0 402.363 2.654 20 5 HFBDRN COc1cc(C(=O)OCC(=O)c2ccc(CCNC(C)=O)s2)cc([N+](=O)[O-])c1C ZINC000791689952 1077529474 /nfs/dbraw/zinc/52/94/74/1077529474.db2.gz SEZCLCBUFXHRLP-UHFFFAOYSA-N 0 0 420.443 2.692 20 5 HFBDRN COc1cc(C(=O)OCC(=O)N[C@@H]2CCOc3ccccc32)cc([N+](=O)[O-])c1C ZINC000791691342 1077530018 /nfs/dbraw/zinc/53/00/18/1077530018.db2.gz FRJQIPRSSYZPHW-OAHLLOKOSA-N 0 0 400.387 2.709 20 5 HFBDRN COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1C ZINC000791692092 1077530148 /nfs/dbraw/zinc/53/01/48/1077530148.db2.gz MIAUFOWHTGXLMB-NSHDSACASA-N 0 0 402.359 2.825 20 5 HFBDRN CCOC(=O)C1(CC(=O)OC[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])CCC1 ZINC000789368984 1077540712 /nfs/dbraw/zinc/54/07/12/1077540712.db2.gz KFABPNYWMIISNR-HNNXBMFYSA-N 0 0 418.446 2.866 20 5 HFBDRN Cc1nn(C)c2nc(C)c(CC(=O)OCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c12 ZINC000791735347 1077543905 /nfs/dbraw/zinc/54/39/05/1077543905.db2.gz VIZNCDMZEFQFAA-UHFFFAOYSA-N 0 0 413.390 2.996 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000791779463 1077549682 /nfs/dbraw/zinc/54/96/82/1077549682.db2.gz OCHFCMDTTYCBRW-ZDUSSCGKSA-N 0 0 421.312 2.878 20 5 HFBDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000791750782 1077552292 /nfs/dbraw/zinc/55/22/92/1077552292.db2.gz MFOBISBBVKGVIL-UHFFFAOYSA-N 0 0 410.352 2.768 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F ZINC000789429061 1077557640 /nfs/dbraw/zinc/55/76/40/1077557640.db2.gz PTCFQPKPJCYRTM-MRXNPFEDSA-N 0 0 415.372 2.907 20 5 HFBDRN Cn1ncc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1Br ZINC000791795184 1077559967 /nfs/dbraw/zinc/55/99/67/1077559967.db2.gz OORLUTOOQVDHMS-UHFFFAOYSA-N 0 0 424.255 2.559 20 5 HFBDRN CCc1nn(C)c(CC)c1CC(=O)OCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000791789525 1077570388 /nfs/dbraw/zinc/57/03/88/1077570388.db2.gz UAJOYTHIPVGWLE-UHFFFAOYSA-N 0 0 422.869 2.622 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CSCN1C(=O)C1CCCC1 ZINC000791863379 1077573146 /nfs/dbraw/zinc/57/31/46/1077573146.db2.gz HYFOUWORVXKVON-OAHLLOKOSA-N 0 0 409.420 2.638 20 5 HFBDRN Cc1cnc(COC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c(C)c1[N+](=O)[O-] ZINC000789441780 1077574597 /nfs/dbraw/zinc/57/45/97/1077574597.db2.gz BGVCMCSLBCPIEQ-UHFFFAOYSA-N 0 0 419.459 2.676 20 5 HFBDRN Cc1cc(C(=O)OCc2ncc(C)c([N+](=O)[O-])c2C)cc(S(=O)(=O)N(C)C)c1C ZINC000789443207 1077574945 /nfs/dbraw/zinc/57/49/45/1077574945.db2.gz RSEZWJRIVWRARF-UHFFFAOYSA-N 0 0 421.475 2.831 20 5 HFBDRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CN1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000789443848 1077575515 /nfs/dbraw/zinc/57/55/15/1077575515.db2.gz SOKIWVRGGIEFQW-UHFFFAOYSA-N 0 0 416.384 2.639 20 5 HFBDRN Cc1cnc(COC(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)c(C)c1[N+](=O)[O-] ZINC000789445858 1077577058 /nfs/dbraw/zinc/57/70/58/1077577058.db2.gz IWRMEZGHIPPHSY-AATRIKPKSA-N 0 0 411.418 2.982 20 5 HFBDRN O=C(O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C1)c1cnnn1-c1cccc(F)c1 ZINC000789487804 1077591019 /nfs/dbraw/zinc/59/10/19/1077591019.db2.gz YUBMKHPWPUKGKI-HNNXBMFYSA-N 0 0 415.356 2.889 20 5 HFBDRN Cc1cccc2c1OCC[C@@H]2OC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000789500403 1077597098 /nfs/dbraw/zinc/59/70/98/1077597098.db2.gz RSNZDYMTLIDNAA-KRWDZBQOSA-N 0 0 420.443 2.639 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(N2CCNC2=O)ccc1F ZINC000791929722 1077597578 /nfs/dbraw/zinc/59/75/78/1077597578.db2.gz HGOSSXLKWAHIIO-UHFFFAOYSA-N 0 0 404.310 2.529 20 5 HFBDRN COc1cc(C(=O)OCCc2cn(-c3ccccc3F)nn2)c([N+](=O)[O-])cc1OC ZINC000789511923 1077604547 /nfs/dbraw/zinc/60/45/47/1077604547.db2.gz QVADCIJKYAPQPQ-UHFFFAOYSA-N 0 0 416.365 2.731 20 5 HFBDRN COC(=O)COc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000789513084 1077605332 /nfs/dbraw/zinc/60/53/32/1077605332.db2.gz DZPOWAZMJYHDSQ-CQSZACIVSA-N 0 0 423.466 2.588 20 5 HFBDRN CC(C)Cc1ncc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cn1 ZINC000791986824 1077624599 /nfs/dbraw/zinc/62/45/99/1077624599.db2.gz VNODUVQQXIMUSR-LBPRGKRZSA-N 0 0 401.398 2.714 20 5 HFBDRN COc1ccc(Cc2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2N)cc1 ZINC000789546985 1077638280 /nfs/dbraw/zinc/63/82/80/1077638280.db2.gz XHYJUMOIMNWOJJ-UHFFFAOYSA-N 0 0 416.419 2.700 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cn(Cc2cccc(F)c2)nn1 ZINC000792022087 1077654729 /nfs/dbraw/zinc/65/47/29/1077654729.db2.gz BUGQZLFYSIPTFP-UHFFFAOYSA-N 0 0 401.310 2.639 20 5 HFBDRN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000789579210 1077661336 /nfs/dbraw/zinc/66/13/36/1077661336.db2.gz WBPCIXFKTMGELA-UHFFFAOYSA-N 0 0 413.821 2.997 20 5 HFBDRN CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000789589294 1077671383 /nfs/dbraw/zinc/67/13/83/1077671383.db2.gz QHTQQWWIUZNZOQ-UHFFFAOYSA-N 0 0 423.451 2.538 20 5 HFBDRN Cc1cc(=O)c(C(=O)OCCCC2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000789554622 1077673570 /nfs/dbraw/zinc/67/35/70/1077673570.db2.gz VLEQRDQGQNQSHD-UHFFFAOYSA-N 0 0 401.419 2.813 20 5 HFBDRN O=[N+]([O-])c1ccc(Cn2nnc(Cc3ccccc3Br)n2)c([N+](=O)[O-])c1 ZINC000789595545 1077702290 /nfs/dbraw/zinc/70/22/90/1077702290.db2.gz JZUVUYORHQYGBX-UHFFFAOYSA-N 0 0 419.195 2.891 20 5 HFBDRN Cc1cnn(CCOC(=O)c2cc(I)cc([N+](=O)[O-])c2)c1 ZINC000792089403 1077711629 /nfs/dbraw/zinc/71/16/29/1077711629.db2.gz VRBDDCRKTOREFD-UHFFFAOYSA-N 0 0 401.160 2.561 20 5 HFBDRN CC(=CC(=O)OCC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000792132660 1077717678 /nfs/dbraw/zinc/71/76/78/1077717678.db2.gz FYTORRGWCKCQCO-JLHYYAGUSA-N 0 0 403.412 2.828 20 5 HFBDRN NC(=O)c1ccc(SCC(=O)O[C@@H]([C@H]2CCCOC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000789655250 1077721212 /nfs/dbraw/zinc/72/12/12/1077721212.db2.gz ZQRRQQAEDYFWLH-HZMBPMFUSA-N 0 0 422.381 2.687 20 5 HFBDRN NC(=O)c1ccc(SCC(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000789655253 1077721265 /nfs/dbraw/zinc/72/12/65/1077721265.db2.gz ZQRRQQAEDYFWLH-IINYFYTJSA-N 0 0 422.381 2.687 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@H]([C@@H]2CCCOC2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000789658668 1077723480 /nfs/dbraw/zinc/72/34/80/1077723480.db2.gz OACZLATZBSZDOL-NOZJJQNGSA-N 0 0 411.354 2.513 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@H]([C@H]2CCCOC2)C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000789658677 1077723640 /nfs/dbraw/zinc/72/36/40/1077723640.db2.gz OACZLATZBSZDOL-TVQRCGJNSA-N 0 0 411.354 2.513 20 5 HFBDRN CC(C)S(=O)(=O)c1ccc(CC(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000792120133 1077727924 /nfs/dbraw/zinc/72/79/24/1077727924.db2.gz KVWDILANTPCYIN-UHFFFAOYSA-N 0 0 422.415 2.971 20 5 HFBDRN COc1ccc(OC(=O)c2cnn(CCO[C@@H]3CCCCO3)c2C)cc1[N+](=O)[O-] ZINC000792122515 1077728482 /nfs/dbraw/zinc/72/84/82/1077728482.db2.gz ZMHAFOYWVUSRSN-GOSISDBHSA-N 0 0 405.407 2.871 20 5 HFBDRN COc1ccc(OC(=O)CCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000792125227 1077730562 /nfs/dbraw/zinc/73/05/62/1077730562.db2.gz UFCPXPXLHJXLPN-UHFFFAOYSA-N 0 0 409.416 2.772 20 5 HFBDRN Cc1cnc(COC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000789671043 1077735279 /nfs/dbraw/zinc/73/52/79/1077735279.db2.gz HLWWIMVGJODSMC-INIZCTEOSA-N 0 0 401.444 2.865 20 5 HFBDRN Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnn1Cc1ccc(F)cc1 ZINC000792184923 1077737718 /nfs/dbraw/zinc/73/77/18/1077737718.db2.gz NLBOGIWKYQUNCF-UHFFFAOYSA-N 0 0 415.337 2.947 20 5 HFBDRN O=C(c1nc(Br)ccc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000792185199 1077737964 /nfs/dbraw/zinc/73/79/64/1077737964.db2.gz LNUOTCJSVKVCFU-SECBINFHSA-N 0 0 410.203 2.613 20 5 HFBDRN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000789730304 1077742131 /nfs/dbraw/zinc/74/21/31/1077742131.db2.gz 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CC(C)(C)c1ccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000792974930 1078030685 /nfs/dbraw/zinc/03/06/85/1078030685.db2.gz XCINSUKRCPQXDP-SFHVURJKSA-N 0 0 424.457 2.531 20 5 HFBDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000790445886 1078034107 /nfs/dbraw/zinc/03/41/07/1078034107.db2.gz CTNJOLVOBKTPDB-PHIMTYICSA-N 0 0 405.860 2.582 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790454728 1078036771 /nfs/dbraw/zinc/03/67/71/1078036771.db2.gz HMBMIBUQJMZQJU-AWEZNQCLSA-N 0 0 401.441 2.555 20 5 HFBDRN CC(C)(C)[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCO1 ZINC000790454725 1078036791 /nfs/dbraw/zinc/03/67/91/1078036791.db2.gz HGRRRRXUGVTDMX-ZDUSSCGKSA-N 0 0 407.286 2.793 20 5 HFBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790456727 1078037211 /nfs/dbraw/zinc/03/72/11/1078037211.db2.gz JWLLFDRTFAWHFY-HWWQOWPSSA-N 0 0 404.872 2.514 20 5 HFBDRN 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ZINC000807365435 1080566151 /nfs/dbraw/zinc/56/61/51/1080566151.db2.gz DOLFIAJUVJXKEH-UHFFFAOYSA-N 0 0 406.782 2.681 20 5 HFBDRN Cc1cc(Cl)nc(CNC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000807558465 1080808375 /nfs/dbraw/zinc/80/83/75/1080808375.db2.gz YXSFXHHJLWRGGF-UHFFFAOYSA-N 0 0 402.838 2.759 20 5 HFBDRN Cc1cccn2c(NC(=O)CN3c4ccc([N+](=O)[O-])cc4C(F)(F)C3=O)cnc12 ZINC001130986953 1080815586 /nfs/dbraw/zinc/81/55/86/1080815586.db2.gz OFDXYKOXQBVIGN-UHFFFAOYSA-N 0 0 401.329 2.628 20 5 HFBDRN CC(C)n1nc(CN(C)C)c2c1CN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CC2 ZINC001164653822 719314786 /nfs/dbraw/zinc/31/47/86/719314786.db2.gz ZQIJXKNMQKNZMH-VQHVLOKHSA-N 0 0 413.526 2.924 20 5 HFBDRN CCOC(=O)c1ccnc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164650401 719316813 /nfs/dbraw/zinc/31/68/13/719316813.db2.gz CULXKKIVYZGHTD-UHFFFAOYSA-N 0 0 416.482 2.568 20 5 HFBDRN Cc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC001164677354 719527281 /nfs/dbraw/zinc/52/72/81/719527281.db2.gz CXZYJJICNGYIOY-UHFFFAOYSA-N 0 0 401.442 2.704 20 5 HFBDRN O=C1C[C@@H]2[C@@H](CCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)N1Cc1cccnc1 ZINC001164691655 719764812 /nfs/dbraw/zinc/76/48/12/719764812.db2.gz PRFSDDHCKJZDJA-TZMCWYRMSA-N 0 0 423.807 2.963 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)C[C@H]2CN1Cc1ccncc1 ZINC001164848000 720810647 /nfs/dbraw/zinc/81/06/47/720810647.db2.gz BIYXUWMVMJOGEU-OCCSQVGLSA-N 0 0 423.807 2.678 20 5 HFBDRN COc1cc2ncnc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164782437 721411281 /nfs/dbraw/zinc/41/12/81/721411281.db2.gz GLQUBISOZRKBQI-BETUJISGSA-N 0 0 412.475 2.571 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@@H]2CCCO[C@H]12 ZINC001164807756 721545805 /nfs/dbraw/zinc/54/58/05/721545805.db2.gz QZDPUJYPBKLDHG-MDZRGWNJSA-N 0 0 403.870 2.906 20 5 HFBDRN CN(Cc1cccnc1)[C@@H]1CN(c2cc(Cl)cc([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164807754 721546105 /nfs/dbraw/zinc/54/61/05/721546105.db2.gz QZDPUJYPBKLDHG-FRQCXROJSA-N 0 0 403.870 2.906 20 5 HFBDRN COc1cc(C)nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164802524 721550061 /nfs/dbraw/zinc/55/00/61/721550061.db2.gz GVVUTRQTYXAEQQ-ABSDTBQOSA-N 0 0 413.478 2.570 20 5 HFBDRN COc1cccc(OC)c1CN1CCC(N(C)c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001165020534 721840730 /nfs/dbraw/zinc/84/07/30/721840730.db2.gz KMQZUIQDSOZCJU-UHFFFAOYSA-N 0 0 417.466 2.511 20 5 HFBDRN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000793002782 1078045215 /nfs/dbraw/zinc/04/52/15/1078045215.db2.gz GACTZEOFRPWTFI-INIZCTEOSA-N 0 0 418.494 2.690 20 5 HFBDRN CO[C@H](C)c1noc(CN(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC000793000904 1078045242 /nfs/dbraw/zinc/04/52/42/1078045242.db2.gz ZXLLGVKFYVTHSX-LLVKDONJSA-N 0 0 419.438 2.580 20 5 HFBDRN Cc1ccn(-c2ccc(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cc2)n1 ZINC000793006586 1078046360 /nfs/dbraw/zinc/04/63/60/1078046360.db2.gz YGCHRMUGUNXYNX-UHFFFAOYSA-N 0 0 413.821 2.997 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000793015166 1078049865 /nfs/dbraw/zinc/04/98/65/1078049865.db2.gz KMLPILSTPCQCIL-JOCHJYFZSA-N 0 0 411.458 2.781 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000793015168 1078049930 /nfs/dbraw/zinc/04/99/30/1078049930.db2.gz KMLPILSTPCQCIL-QFIPXVFZSA-N 0 0 411.458 2.781 20 5 HFBDRN O=C(NCCNc1ccccc1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000793034800 1078052527 /nfs/dbraw/zinc/05/25/27/1078052527.db2.gz SCWXHNBTMHYQPX-UHFFFAOYSA-N 0 0 407.224 2.524 20 5 HFBDRN O=C(CC[C@@H]1Cc2ccccc2NC1=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000746920987 1078054917 /nfs/dbraw/zinc/05/49/17/1078054917.db2.gz ZSWTWLPGSCSENE-BEFAXECRSA-N 0 0 423.425 2.835 20 5 HFBDRN CC(=O)NC1CCC(N(C)C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000793051094 1078057030 /nfs/dbraw/zinc/05/70/30/1078057030.db2.gz SXJJJWXPWSQIDL-UHFFFAOYSA-N 0 0 418.494 2.737 20 5 HFBDRN CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790541599 1078059199 /nfs/dbraw/zinc/05/91/99/1078059199.db2.gz IDUFFLVFMQPNQJ-UHFFFAOYSA-N 0 0 415.830 2.785 20 5 HFBDRN O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C(=O)N1CC[C@H](c2ccccn2)C1 ZINC000793065847 1078060665 /nfs/dbraw/zinc/06/06/65/1078060665.db2.gz CLGYGFOINYNUBQ-NSHDSACASA-N 0 0 419.235 2.707 20 5 HFBDRN CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CC2 ZINC000790580990 1078060914 /nfs/dbraw/zinc/06/09/14/1078060914.db2.gz XVFLNROZVUEAKP-KRWDZBQOSA-N 0 0 412.494 2.761 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@@H](O)COc1ccc(F)cc1 ZINC000790576834 1078067007 /nfs/dbraw/zinc/06/70/07/1078067007.db2.gz LVHOYZLPKAZXFR-GFCCVEGCSA-N 0 0 400.765 2.625 20 5 HFBDRN CCOC(=O)c1cc(N[C@@H](COCc2ccccc2)C(=O)OC)ccc1[N+](=O)[O-] ZINC001170140907 1078067655 /nfs/dbraw/zinc/06/76/55/1078067655.db2.gz GWWZSCRZPWGFJG-KRWDZBQOSA-N 0 0 402.403 2.942 20 5 HFBDRN CN(CCOC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000793125691 1078071496 /nfs/dbraw/zinc/07/14/96/1078071496.db2.gz MZANVMKXONQTTO-KRWDZBQOSA-N 0 0 404.444 2.535 20 5 HFBDRN COc1cccc(-c2nc(CS(=O)(=O)CCn3cc([N+](=O)[O-])cn3)cs2)c1 ZINC000772827994 1078085172 /nfs/dbraw/zinc/08/51/72/1078085172.db2.gz ONWLWFLADNHUJA-UHFFFAOYSA-N 0 0 408.461 2.538 20 5 HFBDRN COc1ccc(CNC(=O)CCN(C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000793137188 1078088308 /nfs/dbraw/zinc/08/83/08/1078088308.db2.gz KZSCASBIVMZLBV-UHFFFAOYSA-N 0 0 401.419 2.878 20 5 HFBDRN C[C@@H](Nc1ccc(C(=O)OCCC2CS(=O)(=O)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000790641669 1078090514 /nfs/dbraw/zinc/09/05/14/1078090514.db2.gz HNALIBQKPSNVEE-CYBMUJFWSA-N 0 0 419.459 2.754 20 5 HFBDRN Nc1ccc([N+](=O)[O-])cc1C(=O)OCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000746940495 1078092667 /nfs/dbraw/zinc/09/26/67/1078092667.db2.gz WUDPDNYMTXJMOP-UHFFFAOYSA-N 0 0 417.378 2.777 20 5 HFBDRN O=C(O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000793173567 1078094353 /nfs/dbraw/zinc/09/43/53/1078094353.db2.gz RPMQXJBYZCLNPW-ARFHVFGLSA-N 0 0 419.459 2.779 20 5 HFBDRN C[C@H]1Cc2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)ccc2N1S(C)(=O)=O ZINC000746942141 1078108879 /nfs/dbraw/zinc/10/88/79/1078108879.db2.gz PIORDZWFOPNSIB-NSHDSACASA-N 0 0 408.407 2.802 20 5 HFBDRN COCCN(Cc1cccs1)C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000790686438 1078110512 /nfs/dbraw/zinc/11/05/12/1078110512.db2.gz CQZGXKRWUFQSJY-UHFFFAOYSA-N 0 0 423.403 2.625 20 5 HFBDRN CNc1c(C(=O)OCC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793278474 1078126261 /nfs/dbraw/zinc/12/62/61/1078126261.db2.gz RSXAONCOASHGKN-CYBMUJFWSA-N 0 0 409.439 2.819 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)c1F ZINC000790813856 1078127724 /nfs/dbraw/zinc/12/77/24/1078127724.db2.gz DPSGMRMGXYJCBE-UHFFFAOYSA-N 0 0 417.393 2.532 20 5 HFBDRN O=C(N[C@H]1CCc2c[nH]nc2C1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790779511 1078131540 /nfs/dbraw/zinc/13/15/40/1078131540.db2.gz ORGMKYSRDRQLQB-NSHDSACASA-N 0 0 420.267 2.706 20 5 HFBDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000790782720 1078133267 /nfs/dbraw/zinc/13/32/67/1078133267.db2.gz QUSSWUZWLMQPRD-UDZFHETQSA-N 0 0 422.381 2.666 20 5 HFBDRN COC(=O)c1cc(C)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790839163 1078142122 /nfs/dbraw/zinc/14/21/22/1078142122.db2.gz MLJTVZRLGPQOPV-UHFFFAOYSA-N 0 0 424.387 2.983 20 5 HFBDRN Cc1csc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000790839771 1078143262 /nfs/dbraw/zinc/14/32/62/1078143262.db2.gz PTCDKBJCJDAOGE-SNVBAGLBSA-N 0 0 400.438 2.924 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2ccc3c(c2)CCO3)c(C)c1[N+](=O)[O-] ZINC000790839789 1078143325 /nfs/dbraw/zinc/14/33/25/1078143325.db2.gz UVMZFWRXTLUENI-UHFFFAOYSA-N 0 0 407.404 2.533 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2cnn(C(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000790844363 1078145164 /nfs/dbraw/zinc/14/51/64/1078145164.db2.gz WCFXIMREXXHCAO-GFCCVEGCSA-N 0 0 411.440 2.937 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)CCN(C)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790846308 1078146527 /nfs/dbraw/zinc/14/65/27/1078146527.db2.gz MTXIJPGCLXAPNV-UHFFFAOYSA-N 0 0 422.463 2.877 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)CCc2cccn2C)c(C)c1[N+](=O)[O-] ZINC000790850059 1078148275 /nfs/dbraw/zinc/14/82/75/1078148275.db2.gz BVUVTOOCSGCTEV-NSHDSACASA-N 0 0 410.452 2.758 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCc2cc(F)ccc2F)c(C)c1[N+](=O)[O-] ZINC000790857484 1078152571 /nfs/dbraw/zinc/15/25/71/1078152571.db2.gz SESBWPLHFUMZSW-UHFFFAOYSA-N 0 0 415.374 2.919 20 5 HFBDRN O=C(c1cc(Br)cc([N+](=O)[O-])c1Cl)N1CCC(OCCO)CC1 ZINC000772832194 1078156458 /nfs/dbraw/zinc/15/64/58/1078156458.db2.gz DKSZEBZXPXFNSL-UHFFFAOYSA-N 0 0 407.648 2.624 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCCOc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790824266 1078157176 /nfs/dbraw/zinc/15/71/76/1078157176.db2.gz LIIDXYJHIHXLGK-UHFFFAOYSA-N 0 0 409.420 2.867 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCc2cccnc2OC(C)C)c(C)c1[N+](=O)[O-] ZINC000790825610 1078157507 /nfs/dbraw/zinc/15/75/07/1078157507.db2.gz BGNQHGJZNJUSLG-UHFFFAOYSA-N 0 0 424.435 2.781 20 5 HFBDRN Cc1ccc2nc(CNS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3C)cn2c1 ZINC000790836500 1078162089 /nfs/dbraw/zinc/16/20/89/1078162089.db2.gz RPTQQZHNKLAPOE-UHFFFAOYSA-N 0 0 419.419 2.554 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790866068 1078163712 /nfs/dbraw/zinc/16/37/12/1078163712.db2.gz JCABOOKRNNHGRY-IUODEOHRSA-N 0 0 415.468 2.992 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCSCC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000790866352 1078163764 /nfs/dbraw/zinc/16/37/64/1078163764.db2.gz MAWOOQOIEQFDAO-UHFFFAOYSA-N 0 0 417.387 2.694 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1[N+](=O)[O-] ZINC000790868228 1078165368 /nfs/dbraw/zinc/16/53/68/1078165368.db2.gz YEJOJFTVBGWGOY-UHFFFAOYSA-N 0 0 401.485 2.699 20 5 HFBDRN COC1CCC(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790871425 1078166940 /nfs/dbraw/zinc/16/69/40/1078166940.db2.gz TUNYXAAQHIHXGD-UHFFFAOYSA-N 0 0 415.468 2.993 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@H](c2cccnc2)C2CC2)c(C)c1[N+](=O)[O-] ZINC000790865323 1078182349 /nfs/dbraw/zinc/18/23/49/1078182349.db2.gz BNYAJXRQUPGMEO-INIZCTEOSA-N 0 0 406.420 2.944 20 5 HFBDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000747120140 1078175180 /nfs/dbraw/zinc/17/51/80/1078175180.db2.gz YFAAWCDDKPCMDJ-CABCVRRESA-N 0 0 416.352 2.940 20 5 HFBDRN COc1cc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)ccc1S(=O)(=O)N(C)C ZINC000790896037 1078176101 /nfs/dbraw/zinc/17/61/01/1078176101.db2.gz QPMMTZWRAGUELM-UHFFFAOYSA-N 0 0 411.411 2.554 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC(C)(C)[C@H]2CCCCO2)c(C)c1[N+](=O)[O-] ZINC000790858237 1078177333 /nfs/dbraw/zinc/17/73/33/1078177333.db2.gz TVZVQLSVHPTOLD-OAHLLOKOSA-N 0 0 415.468 2.993 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H](OCC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000790858877 1078177951 /nfs/dbraw/zinc/17/79/51/1078177951.db2.gz ZQFUYCGDVCKNPS-ZDUSSCGKSA-N 0 0 401.441 2.555 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]([C@H]3CCOC3)C2)c(C)c1[N+](=O)[O-] ZINC000790862777 1078181189 /nfs/dbraw/zinc/18/11/89/1078181189.db2.gz UMODTXVWQRNFNR-KBPBESRZSA-N 0 0 413.452 2.557 20 5 HFBDRN COC(=O)c1cc(NC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)cc([N+](=O)[O-])c1 ZINC000793528146 1078199647 /nfs/dbraw/zinc/19/96/47/1078199647.db2.gz GRQKASOFXZYDLS-CQSZACIVSA-N 0 0 407.423 2.965 20 5 HFBDRN COC(=O)c1cc(NC(=O)CCN(C)C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000793530026 1078212168 /nfs/dbraw/zinc/21/21/68/1078212168.db2.gz OJDMOXFERRNDPG-UHFFFAOYSA-N 0 0 415.402 2.979 20 5 HFBDRN COC(=O)[C@@]1(c2ccccc2)CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000793589961 1078216780 /nfs/dbraw/zinc/21/67/80/1078216780.db2.gz JTZABJVLPFQTNL-NRFANRHFSA-N 0 0 407.430 2.628 20 5 HFBDRN C[C@H]1CN(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)Cc2ccccc2O1 ZINC000793783297 1078293162 /nfs/dbraw/zinc/29/31/62/1078293162.db2.gz VMBIIXDLPGDKOG-LHSJRXKWSA-N 0 0 410.430 2.602 20 5 HFBDRN CCOC(=O)[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000747171343 1078363006 /nfs/dbraw/zinc/36/30/06/1078363006.db2.gz ZGDITSSHAJNFGA-QMMMGPOBSA-N 0 0 407.160 2.555 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)COc3ccc(C=O)cc3)CC2)ccc1[N+](=O)[O-] ZINC000794045376 1078365113 /nfs/dbraw/zinc/36/51/13/1078365113.db2.gz SPIZHYXSXXHIRV-UHFFFAOYSA-N 0 0 413.430 2.534 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000794050339 1078365860 /nfs/dbraw/zinc/36/58/60/1078365860.db2.gz ZBFNNCVJEWRXPW-UHFFFAOYSA-N 0 0 400.391 2.864 20 5 HFBDRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000794164679 1078379354 /nfs/dbraw/zinc/37/93/54/1078379354.db2.gz CMNBEROOGXGHLI-UHFFFAOYSA-N 0 0 407.471 2.600 20 5 HFBDRN C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cn1 ZINC000794166570 1078379652 /nfs/dbraw/zinc/37/96/52/1078379652.db2.gz UJHGUXAVUCTWML-JTQLQIEISA-N 0 0 404.224 2.979 20 5 HFBDRN O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000794248592 1078391948 /nfs/dbraw/zinc/39/19/48/1078391948.db2.gz ZQKUTUYXCCDRJN-SECBINFHSA-N 0 0 400.620 2.689 20 5 HFBDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N(CCO)Cc1cccnc1Cl ZINC000794316965 1078409772 /nfs/dbraw/zinc/40/97/72/1078409772.db2.gz ZBGBJXOIDDYGPR-UHFFFAOYSA-N 0 0 416.821 2.591 20 5 HFBDRN O=C(N[C@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000794261592 1078410836 /nfs/dbraw/zinc/41/08/36/1078410836.db2.gz BUDIDWCSQLEQHZ-CYBMUJFWSA-N 0 0 415.280 2.865 20 5 HFBDRN Cn1nc(I)cc1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001129398156 1078438884 /nfs/dbraw/zinc/43/88/84/1078438884.db2.gz MKKPFPOHAUGKHR-UHFFFAOYSA-N 0 0 414.203 2.598 20 5 HFBDRN Cc1ccc(N(C)C[C@@H](O)COCCOC(C)C)c([N+](=O)[O-])c1Br ZINC000804376502 1078453704 /nfs/dbraw/zinc/45/37/04/1078453704.db2.gz DKJFRNCQKLZLDS-CYBMUJFWSA-N 0 0 405.289 2.904 20 5 HFBDRN Cn1c2cc(NC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804404657 1078456242 /nfs/dbraw/zinc/45/62/42/1078456242.db2.gz VCZYPLABVNAIQO-CYBMUJFWSA-N 0 0 419.482 2.844 20 5 HFBDRN Cc1csc([C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001129452452 1078458931 /nfs/dbraw/zinc/45/89/31/1078458931.db2.gz NMEVGEXHUXVGCB-ZDUSSCGKSA-N 0 0 416.381 2.899 20 5 HFBDRN O=C(c1oc(C2CC2)nc1C(F)F)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001129439982 1078466756 /nfs/dbraw/zinc/46/67/56/1078466756.db2.gz QJCJWLVWCVMMGC-UHFFFAOYSA-N 0 0 420.372 2.996 20 5 HFBDRN CC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[C@H](C)[S@]1=O ZINC000804436595 1078482047 /nfs/dbraw/zinc/48/20/47/1078482047.db2.gz QUOPFKKMONTTPV-XOVYYXRXSA-N 0 0 407.261 2.868 20 5 HFBDRN CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cc1 ZINC001129786352 1078497163 /nfs/dbraw/zinc/49/71/63/1078497163.db2.gz VAHDQUYTYYEPHW-UHFFFAOYSA-N 0 0 421.431 2.653 20 5 HFBDRN CCn1cc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)n1 ZINC000804668371 1078499043 /nfs/dbraw/zinc/49/90/43/1078499043.db2.gz PRVNJQRJICLLGP-HUUCEWRRSA-N 0 0 407.471 2.674 20 5 HFBDRN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000804439947 1078504694 /nfs/dbraw/zinc/50/46/94/1078504694.db2.gz ODPFDEGPEGLATE-MJGOQNOKSA-N 0 0 416.522 2.766 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N2CCCc3ccccc32)CC1 ZINC000804443391 1078507845 /nfs/dbraw/zinc/50/78/45/1078507845.db2.gz HNCFSYSLXDFZOR-UHFFFAOYSA-N 0 0 422.485 2.899 20 5 HFBDRN CC(C)(C)OC(=O)[C@@]1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC=CCC1 ZINC001129496259 1078516338 /nfs/dbraw/zinc/51/63/38/1078516338.db2.gz ZNPVYISSWKGPQK-NRFANRHFSA-N 0 0 416.478 2.707 20 5 HFBDRN C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CCN1Cc1ccccc1 ZINC001129829428 1078523470 /nfs/dbraw/zinc/52/34/70/1078523470.db2.gz YIDOVAQMMFFFEY-IERDGZPVSA-N 0 0 408.458 2.821 20 5 HFBDRN O=c1[nH]c(N2CCN(Cc3ccc(Cl)nc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000804465996 1078529066 /nfs/dbraw/zinc/52/90/66/1078529066.db2.gz WHWVXUZCYUTOSG-UHFFFAOYSA-N 0 0 400.826 2.614 20 5 HFBDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 ZINC000804701685 1078542619 /nfs/dbraw/zinc/54/26/19/1078542619.db2.gz VEEWAZOVAANNTQ-HXUWFJFHSA-N 0 0 412.450 2.957 20 5 HFBDRN CCc1nn(C)c(NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)c1[N+](=O)[O-] ZINC000804701357 1078543206 /nfs/dbraw/zinc/54/32/06/1078543206.db2.gz RKNSKXIQEWKYSD-FQEVSTJZSA-N 0 0 412.450 2.728 20 5 HFBDRN Cn1cnc(CCNC(=O)c2ccn(-c3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 ZINC001129538688 1078550369 /nfs/dbraw/zinc/55/03/69/1078550369.db2.gz WCBLUSZSQAQYJB-UHFFFAOYSA-N 0 0 409.233 2.793 20 5 HFBDRN C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000804496470 1078551715 /nfs/dbraw/zinc/55/17/15/1078551715.db2.gz XYMBGQILAGCAPT-SMDDNHRTSA-N 0 0 403.439 2.983 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000804701562 1078565412 /nfs/dbraw/zinc/56/54/12/1078565412.db2.gz HNFVDIZDJZUIGC-UHFFFAOYSA-N 0 0 403.460 2.610 20 5 HFBDRN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCc2ccc(Br)cc2C1 ZINC000804702170 1078566265 /nfs/dbraw/zinc/56/62/65/1078566265.db2.gz SEVPUTUDSGAOOS-UHFFFAOYSA-N 0 0 412.265 2.567 20 5 HFBDRN O=C1CSc2ncnc(N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)c2N1 ZINC000804702852 1078568760 /nfs/dbraw/zinc/56/87/60/1078568760.db2.gz IKGVCGOVCNOIQA-UHFFFAOYSA-N 0 0 422.264 2.754 20 5 HFBDRN O=C(N[C@@H]1C[C@H]1c1ccccc1F)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001129581327 1078570816 /nfs/dbraw/zinc/57/08/16/1078570816.db2.gz FHHOLVJHPXUXAK-HYSWKAIVSA-N 0 0 401.369 2.898 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c([N+](=O)[O-])c1 ZINC000804705597 1078570934 /nfs/dbraw/zinc/57/09/34/1078570934.db2.gz XXYCRHBQQPPEOE-KGLIPLIRSA-N 0 0 408.307 2.865 20 5 HFBDRN CC(C)(C)c1nc(CN2CCCN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])CC2)no1 ZINC000804538181 1078585015 /nfs/dbraw/zinc/58/50/15/1078585015.db2.gz LRNUIYKDGYZUNK-UHFFFAOYSA-N 0 0 404.427 2.896 20 5 HFBDRN Cc1ccc(NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)c([N+](=O)[O-])c1Br ZINC000804544392 1078590430 /nfs/dbraw/zinc/59/04/30/1078590430.db2.gz KKLQXLJCHGIIIP-WDEREUQCSA-N 0 0 406.302 2.796 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)NC[C@H]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC001129622840 1078597552 /nfs/dbraw/zinc/59/75/52/1078597552.db2.gz AUYLBXFSKVRTFZ-YJBOKZPZSA-N 0 0 403.479 2.829 20 5 HFBDRN CN(CCc1ccccc1[N+](=O)[O-])c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000804777413 1078602304 /nfs/dbraw/zinc/60/23/04/1078602304.db2.gz DNEGTKFEBLHEMA-UHFFFAOYSA-N 0 0 414.418 2.654 20 5 HFBDRN COc1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(Cl)c(OC)c1 ZINC001129658459 1078619897 /nfs/dbraw/zinc/61/98/97/1078619897.db2.gz LFRUQJIDUKPEOM-UHFFFAOYSA-N 0 0 421.793 2.630 20 5 HFBDRN C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@@H]1C(=O)OC(C)(C)C ZINC001129950453 1078625507 /nfs/dbraw/zinc/62/55/07/1078625507.db2.gz DMJFDBABPBRCLL-WBMJQRKESA-N 0 0 406.435 2.948 20 5 HFBDRN CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)[S@]1=O ZINC000804807981 1078637979 /nfs/dbraw/zinc/63/79/79/1078637979.db2.gz CWJPHKAZGZHEAF-OOPJNNIUSA-N 0 0 414.427 2.624 20 5 HFBDRN O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H](c1c[nH]c2ccccc21)C(Cl)(Cl)Cl ZINC000804577252 1078632076 /nfs/dbraw/zinc/63/20/76/1078632076.db2.gz UJSYLMXVBILORH-LBPRGKRZSA-N 0 0 417.640 2.895 20 5 HFBDRN C[C@@H](O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)ccc1F ZINC000804804712 1078634305 /nfs/dbraw/zinc/63/43/05/1078634305.db2.gz BHNHEHFWPRARCM-SECBINFHSA-N 0 0 418.410 2.714 20 5 HFBDRN COC[C@]1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804788439 1078644220 /nfs/dbraw/zinc/64/42/20/1078644220.db2.gz NEADSHFVAYKPEP-LJQANCHMSA-N 0 0 411.430 2.880 20 5 HFBDRN COC1(c2ccccc2)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 ZINC000804843606 1078649733 /nfs/dbraw/zinc/64/97/33/1078649733.db2.gz RPCLOMIWEHKPPK-UHFFFAOYSA-N 0 0 417.487 2.741 20 5 HFBDRN COC[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804789900 1078647901 /nfs/dbraw/zinc/64/79/01/1078647901.db2.gz UIOCRHYVVFMRSP-HXUWFJFHSA-N 0 0 422.482 2.539 20 5 HFBDRN COC(=O)c1cn(C2CCN(c3ccc(C)c(Br)c3[N+](=O)[O-])CC2)nn1 ZINC000804614343 1078662687 /nfs/dbraw/zinc/66/26/87/1078662687.db2.gz ZLXDMRIKBUSSHR-UHFFFAOYSA-N 0 0 424.255 2.885 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCOC[C@@H]1CC(F)F ZINC000804826172 1078666207 /nfs/dbraw/zinc/66/62/07/1078666207.db2.gz QIZIIUDJTJBVSL-QMMMGPOBSA-N 0 0 404.313 2.749 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1(C)C ZINC001129722968 1078674204 /nfs/dbraw/zinc/67/42/04/1078674204.db2.gz YBLLYXADFFKHSX-MRXNPFEDSA-N 0 0 417.466 2.849 20 5 HFBDRN CSc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804632443 1078675180 /nfs/dbraw/zinc/67/51/80/1078675180.db2.gz BCQWAXJRTDHDSY-GJZGRUSLSA-N 0 0 423.491 2.827 20 5 HFBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)c1csnn1 ZINC001129971494 1078676524 /nfs/dbraw/zinc/67/65/24/1078676524.db2.gz KRMLOCDVPHDODJ-LURJTMIESA-N 0 0 404.189 2.542 20 5 HFBDRN COc1c(Br)c([N+](=O)[O-])c(NC[C@H](C)c2nncn2C)cc1[N+](=O)[O-] ZINC000804644277 1078698324 /nfs/dbraw/zinc/69/83/24/1078698324.db2.gz FXUBSKDONXLZDB-ZETCQYMHSA-N 0 0 415.204 2.618 20 5 HFBDRN O=C(NCc1nccc(C(F)(F)F)n1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001129757684 1078701655 /nfs/dbraw/zinc/70/16/55/1078701655.db2.gz GWGIOHNGTBLKSJ-UHFFFAOYSA-N 0 0 406.324 2.578 20 5 HFBDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC000804641142 1078728855 /nfs/dbraw/zinc/72/88/55/1078728855.db2.gz MGDXZXXRUQYZFY-UKRRQHHQSA-N 0 0 416.434 2.586 20 5 HFBDRN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2cccc(F)n2)CC1 ZINC001170470161 1078736232 /nfs/dbraw/zinc/73/62/32/1078736232.db2.gz XIKAUBGTRUQRFB-GFCCVEGCSA-N 0 0 407.833 2.932 20 5 HFBDRN CCO[C@H](C)c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3COC)CC2)n1 ZINC000747223902 1078769320 /nfs/dbraw/zinc/76/93/20/1078769320.db2.gz JXYSNVMGUWBONQ-CQSZACIVSA-N 0 0 405.455 2.544 20 5 HFBDRN CC(=O)OCCCS(=O)(=O)Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000804944384 1078771724 /nfs/dbraw/zinc/77/17/24/1078771724.db2.gz PPCBWKXMEPATLE-UHFFFAOYSA-N 0 0 422.415 2.509 20 5 HFBDRN Cc1nn(Cc2ccc(C(=O)N3CCO[C@]4(CCSC4)C3)cc2)c(C)c1[N+](=O)[O-] ZINC001130018355 1078773198 /nfs/dbraw/zinc/77/31/98/1078773198.db2.gz FADRWFLSUWFYJH-HXUWFJFHSA-N 0 0 416.503 2.805 20 5 HFBDRN O=C(NCC[C@@H]1COc2ccccc2O1)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001130007911 1078787990 /nfs/dbraw/zinc/78/79/90/1078787990.db2.gz PXJHGTMYEOKZSB-CQSZACIVSA-N 0 0 412.377 2.880 20 5 HFBDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000804925612 1078781048 /nfs/dbraw/zinc/78/10/48/1078781048.db2.gz ZVDVYASQPYYKPJ-QGZVFWFLSA-N 0 0 415.450 2.910 20 5 HFBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000805028474 1078840726 /nfs/dbraw/zinc/84/07/26/1078840726.db2.gz GBRUNGJYLZCXKS-IXDOHACOSA-N 0 0 423.560 2.530 20 5 HFBDRN COC(=O)c1cc(OS(=O)(=O)c2cccnc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000804996268 1078845908 /nfs/dbraw/zinc/84/59/08/1078845908.db2.gz JMVPFVUCDDWFPK-UHFFFAOYSA-N 0 0 406.294 2.563 20 5 HFBDRN O=[N+]([O-])c1ccc(N2CCC[C@]3(CCCOC3)C2)c(S(=O)(=O)N2CCCC2)c1 ZINC000747226265 1078860844 /nfs/dbraw/zinc/86/08/44/1078860844.db2.gz LDELIGYEJPGFJY-IBGZPJMESA-N 0 0 409.508 2.776 20 5 HFBDRN CC(C)(O)c1ccc(CNC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000805033234 1078880606 /nfs/dbraw/zinc/88/06/06/1078880606.db2.gz HDYLEROQPMRODA-UHFFFAOYSA-N 0 0 413.474 2.578 20 5 HFBDRN CCN(C)C(=O)OC[C@H]1CCCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000805106306 1078890572 /nfs/dbraw/zinc/89/05/72/1078890572.db2.gz CMPZLQCFEWRKGA-OAHLLOKOSA-N 0 0 413.496 2.843 20 5 HFBDRN CCCNC(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000805114985 1078899423 /nfs/dbraw/zinc/89/94/23/1078899423.db2.gz FOLYMHADHCRXLB-ZDUSSCGKSA-N 0 0 419.887 2.928 20 5 HFBDRN CCN(C)C(=O)OC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000805108351 1078894114 /nfs/dbraw/zinc/89/41/14/1078894114.db2.gz GRJUPERMCLXITK-ZDUSSCGKSA-N 0 0 419.887 2.880 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000805115259 1078900143 /nfs/dbraw/zinc/90/01/43/1078900143.db2.gz LHCVDXXRAVDNDV-CYBMUJFWSA-N 0 0 419.887 2.928 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121091 1078903130 /nfs/dbraw/zinc/90/31/30/1078903130.db2.gz KOWMJTQGMHMQLZ-ZDUSSCGKSA-N 0 0 420.365 2.634 20 5 HFBDRN C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001130075518 1078909601 /nfs/dbraw/zinc/90/96/01/1078909601.db2.gz QBLJAZKBWJBIEO-UKRRQHHQSA-N 0 0 415.450 2.758 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1c1ccc(F)cc1F ZINC001130127569 1078979668 /nfs/dbraw/zinc/97/96/68/1078979668.db2.gz QBCPROOUDVRHRA-JKSUJKDBSA-N 0 0 420.368 2.910 20 5 HFBDRN CCOc1ccc(C(=O)OCCOc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000805369284 1079050311 /nfs/dbraw/zinc/05/03/11/1079050311.db2.gz SFNOMSBXIRJTFR-UHFFFAOYSA-N 0 0 409.416 2.633 20 5 HFBDRN C[C@H](OC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nccn1-c1ccccc1 ZINC000805368553 1079050537 /nfs/dbraw/zinc/05/05/37/1079050537.db2.gz OGOKBONQBGNKEA-ZDUSSCGKSA-N 0 0 408.370 2.993 20 5 HFBDRN CCOC(=O)C[C@H](OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1)C(C)=O ZINC000805381466 1079053575 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/nfs/dbraw/zinc/22/36/58/1079223658.db2.gz SQRBKLDJNFAFAX-UHFFFAOYSA-N 0 0 412.431 2.554 20 5 HFBDRN Cc1cc(=O)oc2cc(N(C)CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)ccc12 ZINC000805770583 1079245487 /nfs/dbraw/zinc/24/54/87/1079245487.db2.gz GTFMZYDXWNGOBW-UHFFFAOYSA-N 0 0 411.370 2.813 20 5 HFBDRN COC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c2ccc(F)cc2O1 ZINC001130372207 1079247498 /nfs/dbraw/zinc/24/74/98/1079247498.db2.gz IARMCTIMTDBFQH-SFHVURJKSA-N 0 0 413.361 2.725 20 5 HFBDRN O=C(CCOc1ccccc1[N+](=O)[O-])N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC001130397039 1079279103 /nfs/dbraw/zinc/27/91/03/1079279103.db2.gz KYCICKSUEHIXMD-FQEVSTJZSA-N 0 0 423.469 2.940 20 5 HFBDRN CC(C)(C)OC(=O)Cn1cnc(NC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC001130402961 1079303476 /nfs/dbraw/zinc/30/34/76/1079303476.db2.gz UJFFQJCORXKNFW-UHFFFAOYSA-N 0 0 415.328 2.799 20 5 HFBDRN CCc1cccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)c1 ZINC001130413893 1079316515 /nfs/dbraw/zinc/31/65/15/1079316515.db2.gz CRBMWGGOLKXBFG-UHFFFAOYSA-N 0 0 410.474 2.756 20 5 HFBDRN C[S@@](=O)Cc1ccc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000805867620 1079310217 /nfs/dbraw/zinc/31/02/17/1079310217.db2.gz MVCJEMHMKVJANK-GDLZYMKVSA-N 0 0 416.503 2.505 20 5 HFBDRN C[S@](=O)c1ccc(CC(=O)OCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000805867043 1079310638 /nfs/dbraw/zinc/31/06/38/1079310638.db2.gz WQMFABZBZFPTQY-NDEPHWFRSA-N 0 0 424.862 2.501 20 5 HFBDRN O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000805842175 1079320313 /nfs/dbraw/zinc/32/03/13/1079320313.db2.gz YPKPIQZZVYQYLA-UHFFFAOYSA-N 0 0 423.878 2.963 20 5 HFBDRN COC(=O)c1cc(S(=O)(=O)NCCCCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000747276200 1079340702 /nfs/dbraw/zinc/34/07/02/1079340702.db2.gz DRHDNQVAMFASBY-UHFFFAOYSA-N 0 0 410.423 2.822 20 5 HFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1cccnc1Br ZINC000805934804 1079362310 /nfs/dbraw/zinc/36/23/10/1079362310.db2.gz GVIWGSFQFJPHFX-UHFFFAOYSA-N 0 0 408.208 2.616 20 5 HFBDRN C[C@H](OC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C(=O)NCCc1ccncc1 ZINC000805979258 1079384483 /nfs/dbraw/zinc/38/44/83/1079384483.db2.gz MREZYTQBJQQMKE-ZDUSSCGKSA-N 0 0 403.410 2.697 20 5 HFBDRN COc1c(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cccc1[N+](=O)[O-] ZINC001130455492 1079379858 /nfs/dbraw/zinc/37/98/58/1079379858.db2.gz FCLUGSZDMRUZCU-NSHDSACASA-N 0 0 407.345 2.789 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H](C1CC1)C1CCOCC1 ZINC001130457721 1079381053 /nfs/dbraw/zinc/38/10/53/1079381053.db2.gz AKUWOBSJWOFSKA-IBGZPJMESA-N 0 0 403.435 2.604 20 5 HFBDRN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000747289784 1079388317 /nfs/dbraw/zinc/38/83/17/1079388317.db2.gz CAXMTIFPRPLVEO-SSINHNECSA-N 0 0 400.453 2.853 20 5 HFBDRN COc1cc([N+](=O)[O-])ccc1C(=O)OCCc1c(C)nc(-c2ccccn2)[nH]c1=O ZINC000806017330 1079391833 /nfs/dbraw/zinc/39/18/33/1079391833.db2.gz YEOXDYNWLIZHNF-UHFFFAOYSA-N 0 0 410.386 2.869 20 5 HFBDRN C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000747300070 1079406879 /nfs/dbraw/zinc/40/68/79/1079406879.db2.gz YPNLCAUENSGFKA-MRXNPFEDSA-N 0 0 412.446 2.558 20 5 HFBDRN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cnnn1-c1ccccc1 ZINC000806032847 1079407803 /nfs/dbraw/zinc/40/78/03/1079407803.db2.gz RPCWRJNWBSJPAA-UHFFFAOYSA-N 0 0 423.385 2.607 20 5 HFBDRN Cc1cc(=O)c(C(=O)OCc2cnccc2OC(C)C)nn1-c1ccccc1[N+](=O)[O-] ZINC000806103633 1079431489 /nfs/dbraw/zinc/43/14/89/1079431489.db2.gz OAQIZCBNEINXAA-UHFFFAOYSA-N 0 0 424.413 2.988 20 5 HFBDRN CC(C)Oc1ccncc1COC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000806103472 1079432029 /nfs/dbraw/zinc/43/20/29/1079432029.db2.gz LTOKHVPVIZAJDD-UHFFFAOYSA-N 0 0 401.419 2.971 20 5 HFBDRN O=C(OCCc1nnc(-c2ccccc2)o1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000806113270 1079442678 /nfs/dbraw/zinc/44/26/78/1079442678.db2.gz NSTUDPMAOLINRE-UHFFFAOYSA-N 0 0 424.413 2.881 20 5 HFBDRN C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC1(C)OCCO1 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/nfs/dbraw/zinc/53/03/98/1077530398.db2.gz GRFMCIHEZURCCT-UHFFFAOYSA-N 0 0 401.375 2.666 20 5 HFBDRN COc1cc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc([N+](=O)[O-])c1C ZINC000791695074 1077531125 /nfs/dbraw/zinc/53/11/25/1077531125.db2.gz ZWFFEXJWMXLSEH-UHFFFAOYSA-N 0 0 403.778 2.930 20 5 HFBDRN CCOC(=O)C1(CC(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CCC1 ZINC000789364190 1077539850 /nfs/dbraw/zinc/53/98/50/1077539850.db2.gz UUIPSPBHXRNLRR-UHFFFAOYSA-N 0 0 405.451 2.873 20 5 HFBDRN O=C(OCCn1cc([N+](=O)[O-])ccc1=O)c1cccnc1OCc1ccccc1F ZINC000791754365 1077553162 /nfs/dbraw/zinc/55/31/62/1077553162.db2.gz SKNNIBCMWIQJCG-UHFFFAOYSA-N 0 0 413.361 2.727 20 5 HFBDRN O=C(OC[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-])c1ccn(CC(F)F)n1 ZINC000789423489 1077553964 /nfs/dbraw/zinc/55/39/64/1077553964.db2.gz RJHHBNFQHDPTQC-GFCCVEGCSA-N 0 0 408.361 2.518 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F ZINC000789429038 1077557567 /nfs/dbraw/zinc/55/75/67/1077557567.db2.gz PTCFQPKPJCYRTM-INIZCTEOSA-N 0 0 415.372 2.907 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000789443686 1077575551 /nfs/dbraw/zinc/57/55/51/1077575551.db2.gz XRNHCJGEMKJPRC-UHFFFAOYSA-N 0 0 422.419 2.715 20 5 HFBDRN COc1ccc([C@H]2[C@H](C(=O)OCc3ncc(C)c([N+](=O)[O-])c3C)CC(=O)N2C)cc1 ZINC000789443461 1077575754 /nfs/dbraw/zinc/57/57/54/1077575754.db2.gz NQGFUKJOEMAUST-UZLBHIALSA-N 0 0 413.430 2.878 20 5 HFBDRN Cc1cnc(COC(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)c(C)c1[N+](=O)[O-] ZINC000789443262 1077576095 /nfs/dbraw/zinc/57/60/95/1077576095.db2.gz UAMGKJMCSGIFSZ-UHFFFAOYSA-N 0 0 419.459 2.652 20 5 HFBDRN Cc1cnc(COC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)c(C)c1[N+](=O)[O-] ZINC000789445897 1077577374 /nfs/dbraw/zinc/57/73/74/1077577374.db2.gz XTSZILKHVWXVQT-IBGZPJMESA-N 0 0 403.410 2.862 20 5 HFBDRN C[C@H]1OCC[C@@]12CN(C(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)CCO2 ZINC000791842324 1077581593 /nfs/dbraw/zinc/58/15/93/1077581593.db2.gz IONDNOMWTLPIAP-MEBBXXQBSA-N 0 0 400.229 2.769 20 5 HFBDRN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000791878925 1077584423 /nfs/dbraw/zinc/58/44/23/1077584423.db2.gz MZRQACHWAHZECO-YUMQZZPRSA-N 0 0 405.285 2.687 20 5 HFBDRN O=C(CCC(=O)N1CCOc2ccccc21)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791884443 1077585477 /nfs/dbraw/zinc/58/54/77/1077585477.db2.gz BAWYWNGURFDWQK-UHFFFAOYSA-N 0 0 415.358 2.752 20 5 HFBDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1)CCO2 ZINC000791887870 1077586800 /nfs/dbraw/zinc/58/68/00/1077586800.db2.gz HCDJSMNQDDUUDJ-HRAATJIYSA-N 0 0 403.479 2.851 20 5 HFBDRN COc1cc(C(=O)OCc2cc(S(C)(=O)=O)ccc2OC)cc([N+](=O)[O-])c1C ZINC000791892707 1077589048 /nfs/dbraw/zinc/58/90/48/1077589048.db2.gz VPFBZLNTVGQJBE-UHFFFAOYSA-N 0 0 409.416 2.681 20 5 HFBDRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000791865715 1077591946 /nfs/dbraw/zinc/59/19/46/1077591946.db2.gz RGXCSCFBOKGSQN-GZOXUHRPSA-N 0 0 409.420 2.804 20 5 HFBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1I)c1ccnn1C ZINC000791934294 1077598745 /nfs/dbraw/zinc/59/87/45/1077598745.db2.gz JUESPIONXVPSAH-MRVPVSSYSA-N 0 0 401.160 2.851 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(N2CCOC2=O)ccc1F ZINC000791943120 1077602529 /nfs/dbraw/zinc/60/25/29/1077602529.db2.gz DQSBJYOBIXYGCH-UHFFFAOYSA-N 0 0 405.294 2.956 20 5 HFBDRN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000772739865 1077636288 /nfs/dbraw/zinc/63/62/88/1077636288.db2.gz FXOGOJHLEMBUBX-ZFWWWQNUSA-N 0 0 421.450 2.690 20 5 HFBDRN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789568174 1077648348 /nfs/dbraw/zinc/64/83/48/1077648348.db2.gz WMDZWBGCUSFNMX-INIZCTEOSA-N 0 0 409.358 2.647 20 5 HFBDRN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)c1cccc2cnccc21 ZINC000789612908 1077708923 /nfs/dbraw/zinc/70/89/23/1077708923.db2.gz RNRPJOXUELCXER-UHFFFAOYSA-N 0 0 402.388 2.872 20 5 HFBDRN O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])c1ccncc1Cl ZINC000792088603 1077710973 /nfs/dbraw/zinc/71/09/73/1077710973.db2.gz VNTHSFABMMAEEK-UHFFFAOYSA-N 0 0 400.572 2.840 20 5 HFBDRN O=C(OCCO[C@H]1CCCCO1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000792089127 1077711616 /nfs/dbraw/zinc/71/16/16/1077711616.db2.gz SSHXTJDYFIGPEF-ZDUSSCGKSA-N 0 0 421.187 2.899 20 5 HFBDRN COC(=O)c1ccc(C)c(COC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000789631633 1077711828 /nfs/dbraw/zinc/71/18/28/1077711828.db2.gz XKBOAEVJFMURQF-UHFFFAOYSA-N 0 0 418.427 2.624 20 5 HFBDRN CC(C)n1ncnc1COC(=O)c1ccc([N+](=O)[O-])cc1I ZINC000789685564 1077727003 /nfs/dbraw/zinc/72/70/03/1077727003.db2.gz SKQWBIGEKWVNPW-UHFFFAOYSA-N 0 0 416.175 2.729 20 5 HFBDRN CCCn1ncnc1COC(=O)c1cc(I)cc([N+](=O)[O-])c1 ZINC000789691465 1077729197 /nfs/dbraw/zinc/72/91/97/1077729197.db2.gz SMJXNKHGNKXLMD-UHFFFAOYSA-N 0 0 416.175 2.558 20 5 HFBDRN COc1ccc(OC(=O)[C@@H](Cc2c[nH]c3cc(F)ccc23)NC(C)=O)cc1[N+](=O)[O-] ZINC000792125812 1077730267 /nfs/dbraw/zinc/73/02/67/1077730267.db2.gz WZFOGPXQFLHSTA-QGZVFWFLSA-N 0 0 415.377 2.877 20 5 HFBDRN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000789693108 1077731144 /nfs/dbraw/zinc/73/11/44/1077731144.db2.gz NOHYFARCYRUYNA-LJQANCHMSA-N 0 0 413.474 2.761 20 5 HFBDRN COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789673037 1077736305 /nfs/dbraw/zinc/73/63/05/1077736305.db2.gz TZNIBFFAUMMUQN-SNVBAGLBSA-N 0 0 420.353 2.546 20 5 HFBDRN CS(=O)(=O)c1ccc(COC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000792204300 1077745259 /nfs/dbraw/zinc/74/52/59/1077745259.db2.gz QMNYCQPRJMETSR-UHFFFAOYSA-N 0 0 401.400 2.541 20 5 HFBDRN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000747062263 1077775044 /nfs/dbraw/zinc/77/50/44/1077775044.db2.gz HCKPOIBKLSUZNX-UHFFFAOYSA-N 0 0 421.381 2.863 20 5 HFBDRN CCN(CC)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 ZINC000746853575 1077785882 /nfs/dbraw/zinc/78/58/82/1077785882.db2.gz KTASRHVEHLNXBJ-UHFFFAOYSA-N 0 0 402.495 2.916 20 5 HFBDRN CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000746859436 1077791980 /nfs/dbraw/zinc/79/19/80/1077791980.db2.gz KJFMNZIWVGBLJR-AWEZNQCLSA-N 0 0 419.482 2.840 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000747066157 1077796414 /nfs/dbraw/zinc/79/64/14/1077796414.db2.gz MVDPFBUHHZJCFG-NSHDSACASA-N 0 0 413.402 2.719 20 5 HFBDRN Cc1c(CNC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)cccc1[N+](=O)[O-] ZINC000792313328 1077803090 /nfs/dbraw/zinc/80/30/90/1077803090.db2.gz IZDZETZYYPMSKM-UHFFFAOYSA-N 0 0 403.263 2.854 20 5 HFBDRN CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000792314864 1077803442 /nfs/dbraw/zinc/80/34/42/1077803442.db2.gz YKAIHLMHXSKVTR-XFXZXTDPSA-N 0 0 411.414 2.734 20 5 HFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)NN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000789829675 1077811977 /nfs/dbraw/zinc/81/19/77/1077811977.db2.gz SNNILQSPUGJVDX-UHFFFAOYSA-N 0 0 419.485 2.985 20 5 HFBDRN O=C(CCN1CCO[C@@H](COc2ccccc2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000792376696 1077817477 /nfs/dbraw/zinc/81/74/77/1077817477.db2.gz KZSXYYTVJFSFNF-QGZVFWFLSA-N 0 0 403.410 2.842 20 5 HFBDRN COC(=O)C[C@](C)(NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000789890574 1077838271 /nfs/dbraw/zinc/83/82/71/1077838271.db2.gz SDSXIOPCJLTHTM-SFHVURJKSA-N 0 0 418.406 2.947 20 5 HFBDRN CCn1cc([C@H](O)CN(Cc2ccccc2)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000792378490 1077844231 /nfs/dbraw/zinc/84/42/31/1077844231.db2.gz PQLGSYNVRWYOPP-OAQYLSRUSA-N 0 0 423.473 2.646 20 5 HFBDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)OCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000747073125 1077853664 /nfs/dbraw/zinc/85/36/64/1077853664.db2.gz YVFNRDVUGXHMSS-ZDUSSCGKSA-N 0 0 409.439 2.604 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(=O)c1ccccc1 ZINC000792471679 1077872234 /nfs/dbraw/zinc/87/22/34/1077872234.db2.gz BSSFTSBTWXPYBY-UHFFFAOYSA-N 0 0 421.203 2.779 20 5 HFBDRN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1C ZINC000789989235 1077888989 /nfs/dbraw/zinc/88/89/89/1077888989.db2.gz DDRBPEAAPOSSAH-NRFANRHFSA-N 0 0 410.430 2.926 20 5 HFBDRN COc1cc(C(=O)Nc2cn3cc(Br)ncc3n2)cc([N+](=O)[O-])c1C ZINC000792548690 1077899395 /nfs/dbraw/zinc/89/93/95/1077899395.db2.gz GICKSSSIRFQQAU-UHFFFAOYSA-N 0 0 406.196 2.969 20 5 HFBDRN Cc1c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)cccc1[N+](=O)[O-] ZINC000792559753 1077903641 /nfs/dbraw/zinc/90/36/41/1077903641.db2.gz JUHYVSGFKLFJEZ-CYBMUJFWSA-N 0 0 416.365 2.620 20 5 HFBDRN COc1cccc(Cl)c1CNC(=O)c1c2c(cc([N+](=O)[O-])c1[N+](=O)[O-])OCCO2 ZINC000792559771 1077903673 /nfs/dbraw/zinc/90/36/73/1077903673.db2.gz LNKNTLNTWKPVBZ-UHFFFAOYSA-N 0 0 423.765 2.866 20 5 HFBDRN CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[C@H](O)c1ccccc1 ZINC000792567737 1077907043 /nfs/dbraw/zinc/90/70/43/1077907043.db2.gz QFRKUPQGZUNMHU-QZTJIDSGSA-N 0 0 406.460 2.630 20 5 HFBDRN CNC(=O)c1cc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc2[nH]1 ZINC000792581187 1077916322 /nfs/dbraw/zinc/91/63/22/1077916322.db2.gz GDNWWEYDDJMNAG-UHFFFAOYSA-N 0 0 423.429 2.525 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](O)C1CCCCC1 ZINC000790026429 1077918431 /nfs/dbraw/zinc/91/84/31/1077918431.db2.gz MQYDDGYIWNYQIM-CQSZACIVSA-N 0 0 421.313 2.885 20 5 HFBDRN COc1ccc(OC(=O)Cc2c(C)nc3nc(SC)nn3c2C)cc1[N+](=O)[O-] ZINC000792590166 1077924420 /nfs/dbraw/zinc/92/44/20/1077924420.db2.gz WAUSXFAZAOAOPR-UHFFFAOYSA-N 0 0 403.420 2.528 20 5 HFBDRN C[C@@H](OC(=O)[C@@H]1CCCCN1Cc1ccccn1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000790080923 1077925873 /nfs/dbraw/zinc/92/58/73/1077925873.db2.gz YXDZGFCSWSLOSU-BEFAXECRSA-N 0 0 412.446 2.915 20 5 HFBDRN Cc1cc(F)cc(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000772808563 1077932357 /nfs/dbraw/zinc/93/23/57/1077932357.db2.gz UYCBSCCJYQONHL-UHFFFAOYSA-N 0 0 400.410 2.720 20 5 HFBDRN O=C([C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)N(c1ccccc1)[C@H]1CCOC1 ZINC000792605197 1077932377 /nfs/dbraw/zinc/93/23/77/1077932377.db2.gz OVTQSIZOZFWWSQ-YOEHRIQHSA-N 0 0 413.405 2.909 20 5 HFBDRN Cn1ncc([N+](=O)[O-])c1C(=O)N(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000792606073 1077933116 /nfs/dbraw/zinc/93/31/16/1077933116.db2.gz LTARYMIVISNKHL-UHFFFAOYSA-N 0 0 417.466 2.886 20 5 HFBDRN CC(C)(C(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)S(=O)(=O)C1CC1 ZINC000792631791 1077942308 /nfs/dbraw/zinc/94/23/08/1077942308.db2.gz RXSAENGHQMRLRC-UHFFFAOYSA-N 0 0 406.254 2.756 20 5 HFBDRN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000746877893 1077944525 /nfs/dbraw/zinc/94/45/25/1077944525.db2.gz QFEHUJSEGJNFFF-QYSRSOONSA-N 0 0 404.444 2.743 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCOCC23CN(C(=O)OC(C)(C)C)C3)c([N+](=O)[O-])c1 ZINC001170335144 1077946773 /nfs/dbraw/zinc/94/67/73/1077946773.db2.gz LQSBKAJOQHTDGD-HNNXBMFYSA-N 0 0 421.494 2.856 20 5 HFBDRN COc1ccc(C[C@H](C)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001170335513 1077947014 /nfs/dbraw/zinc/94/70/14/1077947014.db2.gz OVZHDNZLRZXFQR-YOEHRIQHSA-N 0 0 409.483 2.760 20 5 HFBDRN COc1ccc(C[C@H](C)N2C[C@@H]3COC[C@H](C2)N3C(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170336577 1077947647 /nfs/dbraw/zinc/94/76/47/1077947647.db2.gz ZQCFPCAUELWPTK-BHYGNILZSA-N 0 0 421.494 2.855 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCn3c(COCC4CC4)nnc3C2)c([N+](=O)[O-])c1 ZINC001170339197 1077952319 /nfs/dbraw/zinc/95/23/19/1077952319.db2.gz IEAQCONXOJBTCF-CQSZACIVSA-N 0 0 401.467 2.568 20 5 HFBDRN C[C@@H](CN1CCOCC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000790132256 1077952927 /nfs/dbraw/zinc/95/29/27/1077952927.db2.gz MXDIYPPXUWVLRI-KRWDZBQOSA-N 0 0 404.511 2.624 20 5 HFBDRN COc1ccc(C[C@@H](C)N2Cc3c(C(=O)N4CCCC4)nn(C)c3C2)c([N+](=O)[O-])c1 ZINC001170343996 1077954172 /nfs/dbraw/zinc/95/41/72/1077954172.db2.gz WJRVCHYNJCVHGM-CQSZACIVSA-N 0 0 413.478 2.520 20 5 HFBDRN COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(F)ccc3[N+](=O)[O-])n2)c1C ZINC000790160412 1077962711 /nfs/dbraw/zinc/96/27/11/1077962711.db2.gz FIZRXJYCRQSHQZ-UHFFFAOYSA-N 0 0 400.370 2.646 20 5 HFBDRN COc1c(C)cnc(Cn2cnc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)n2)c1C ZINC000790162058 1077963221 /nfs/dbraw/zinc/96/32/21/1077963221.db2.gz QVIHOLZRNLDJEZ-UHFFFAOYSA-N 0 0 418.360 2.786 20 5 HFBDRN COC(=O)c1cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c(C)c([N+](=O)[O-])c1 ZINC000792662727 1077963829 /nfs/dbraw/zinc/96/38/29/1077963829.db2.gz YQNITBPZFDEKHG-UHFFFAOYSA-N 0 0 418.383 2.597 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000746884904 1077965209 /nfs/dbraw/zinc/96/52/09/1077965209.db2.gz DLDKQWFOHKVQJL-DVOMOZLQSA-N 0 0 406.439 2.525 20 5 HFBDRN CCOC(=O)[C@H](Cc1ccc(F)cc1)Nc1c(C)c([N+](=O)[O-])cnc1C(=O)OC ZINC001170404995 1077965827 /nfs/dbraw/zinc/96/58/27/1077965827.db2.gz ODEFEHWITAVYGK-AWEZNQCLSA-N 0 0 405.382 2.810 20 5 HFBDRN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CC(c2cccnc2)=NO1 ZINC000790196955 1077967975 /nfs/dbraw/zinc/96/79/75/1077967975.db2.gz DORLRAYMQAUDPG-MRXNPFEDSA-N 0 0 423.351 2.730 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)nc3C)cc2[N+](=O)[O-])CC1 ZINC000790251548 1077977391 /nfs/dbraw/zinc/97/73/91/1077977391.db2.gz CNMQLDHKPSQEJJ-UHFFFAOYSA-N 0 0 417.853 2.872 20 5 HFBDRN COC(=O)CCc1nc(COc2cc(F)c(Br)cc2[N+](=O)[O-])no1 ZINC000790296344 1077988873 /nfs/dbraw/zinc/98/88/73/1077988873.db2.gz WVQJLSXSNZOKCD-UHFFFAOYSA-N 0 0 404.148 2.564 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000790272973 1077992423 /nfs/dbraw/zinc/99/24/23/1077992423.db2.gz SFAHYPSJJWFLRI-CYBMUJFWSA-N 0 0 400.815 2.582 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)c1F ZINC000790327550 1077997621 /nfs/dbraw/zinc/99/76/21/1077997621.db2.gz XFQDUHMJUJXVAP-UHFFFAOYSA-N 0 0 414.437 2.611 20 5 HFBDRN Cc1ccc(-n2cnc3c2CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C3)cc1 ZINC000792781053 1077999709 /nfs/dbraw/zinc/99/97/09/1077999709.db2.gz YCPRILJEKIFLHX-UHFFFAOYSA-N 0 0 416.434 2.975 20 5 HFBDRN COc1c(F)cc(S(=O)(=O)N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1[N+](=O)[O-] ZINC000790378837 1078008499 /nfs/dbraw/zinc/00/84/99/1078008499.db2.gz PXJLLZRSPFSAES-YPMHNXCESA-N 0 0 413.254 2.947 20 5 HFBDRN CS(=O)(=O)CC1(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000792891053 1078017971 /nfs/dbraw/zinc/01/79/71/1078017971.db2.gz CVUHWUPWWUQHCT-UHFFFAOYSA-N 0 0 403.298 2.540 20 5 HFBDRN CCCCOCCNC(=O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000792897007 1078018946 /nfs/dbraw/zinc/01/89/46/1078018946.db2.gz KJMDDWSIQAFHBD-UHFFFAOYSA-N 0 0 414.300 2.648 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(CC1CCS(=O)(=O)CC1)CC2 ZINC000792899177 1078019252 /nfs/dbraw/zinc/01/92/52/1078019252.db2.gz PFMGIAMFKUOWBZ-UHFFFAOYSA-N 0 0 403.298 2.540 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000790459449 1078027134 /nfs/dbraw/zinc/02/71/34/1078027134.db2.gz JSFNVNTWPDRRTB-MRXNPFEDSA-N 0 0 407.467 2.590 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000790455957 1078036850 /nfs/dbraw/zinc/03/68/50/1078036850.db2.gz ANTIOMFTTMEVLD-GFCCVEGCSA-N 0 0 404.872 2.515 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)nc1Br ZINC000792964751 1078036972 /nfs/dbraw/zinc/03/69/72/1078036972.db2.gz BTNTYPAAYNIPRN-JTQLQIEISA-N 0 0 407.224 2.877 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)nc1Br ZINC000792964752 1078037002 /nfs/dbraw/zinc/03/70/02/1078037002.db2.gz BTNTYPAAYNIPRN-SNVBAGLBSA-N 0 0 407.224 2.877 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)NC3CCC(C)(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000792984919 1078040904 /nfs/dbraw/zinc/04/09/04/1078040904.db2.gz HWCHRISGOGLHJA-UHFFFAOYSA-N 0 0 406.483 2.519 20 5 HFBDRN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)n1 ZINC000792990724 1078042300 /nfs/dbraw/zinc/04/23/00/1078042300.db2.gz XOYOHVGSGNKQPB-UHFFFAOYSA-N 0 0 421.251 2.830 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)OCc2ccccc2NC(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC001130577386 1079546970 /nfs/dbraw/zinc/54/69/70/1079546970.db2.gz QMUOSDUBKJCCFM-UHFFFAOYSA-N 0 0 418.427 2.704 20 5 HFBDRN Cc1nn(CCC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000747321222 1079583858 /nfs/dbraw/zinc/58/38/58/1079583858.db2.gz WXMHGXSLJJOQHB-UHFFFAOYSA-N 0 0 411.503 2.808 20 5 HFBDRN COCc1nnc2n1CCN(C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)C2 ZINC001130612995 1079638149 /nfs/dbraw/zinc/63/81/49/1079638149.db2.gz JVTAUJMGRVNRAL-UHFFFAOYSA-N 0 0 409.402 2.781 20 5 HFBDRN CCOC(=O)C[C@H](NC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-])C(F)(F)F ZINC001130629584 1079708427 /nfs/dbraw/zinc/70/84/27/1079708427.db2.gz MFDGCLOHMNMTBJ-LBPRGKRZSA-N 0 0 410.370 2.939 20 5 HFBDRN CC(C)Cc1nsc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC001130643446 1079766008 /nfs/dbraw/zinc/76/60/08/1079766008.db2.gz FSMOUJSJEPBFPS-JTQLQIEISA-N 0 0 409.493 2.950 20 5 HFBDRN COc1ccc(C2=N/C(=C/c3cn(-c4ccccc4C)nn3)C(=O)O2)cc1[N+](=O)[O-] ZINC000806549483 1079786856 /nfs/dbraw/zinc/78/68/56/1079786856.db2.gz XGNCOFVZJVFRSP-XNTDXEJSSA-N 0 0 405.370 2.837 20 5 HFBDRN Cn1cccc1C(=O)C(=O)N1CCCC[C@@H]1CCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000806513624 1079790069 /nfs/dbraw/zinc/79/00/69/1079790069.db2.gz HVZQSUPOSVZWRT-MRXNPFEDSA-N 0 0 413.430 2.744 20 5 HFBDRN CC(C)(C)OC(=O)N[C@@H]1CCc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001130657417 1079796381 /nfs/dbraw/zinc/79/63/81/1079796381.db2.gz LJHIRKGXLOPFJG-OAHLLOKOSA-N 0 0 415.450 2.664 20 5 HFBDRN O=C1COC[C@H](C[C@H]2CN(C(=S)Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)N1 ZINC000806596259 1079838900 /nfs/dbraw/zinc/83/89/00/1079838900.db2.gz WYQQGJWYRAAMQR-ZFWWWQNUSA-N 0 0 412.471 2.801 20 5 HFBDRN C[C@H](Nc1ccc(C(=O)O[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000747346343 1079969862 /nfs/dbraw/zinc/96/98/62/1079969862.db2.gz RELJVXLGKGECGX-GXTWGEPZSA-N 0 0 405.432 2.507 20 5 HFBDRN C[C@@H](Nc1ccc(C(=O)O[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-])c1ccccn1 ZINC000747346347 1079969869 /nfs/dbraw/zinc/96/98/69/1079969869.db2.gz RELJVXLGKGECGX-TZMCWYRMSA-N 0 0 405.432 2.507 20 5 HFBDRN COc1ccc2cc(NC(=O)C(=O)NCCNc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000806833321 1080046178 /nfs/dbraw/zinc/04/61/78/1080046178.db2.gz RYGFJGBHUOEMTD-UHFFFAOYSA-N 0 0 408.414 2.923 20 5 HFBDRN COc1ccc(N2C[C@H](NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC001130784940 1080092843 /nfs/dbraw/zinc/09/28/43/1080092843.db2.gz IEDDGEQPCLJVBF-MRXNPFEDSA-N 0 0 424.457 2.739 20 5 HFBDRN O=C(NCC(F)(F)c1cccc(F)c1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001130885562 1080396769 /nfs/dbraw/zinc/39/67/69/1080396769.db2.gz QFLBOFVNWNLTMV-UHFFFAOYSA-N 0 0 405.336 2.896 20 5 HFBDRN Cc1ccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c(Br)n1 ZINC000807297802 1080492266 /nfs/dbraw/zinc/49/22/66/1080492266.db2.gz LODLRECNTMEYPO-UHFFFAOYSA-N 0 0 421.251 2.700 20 5 HFBDRN C[C@H](O)c1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)ccc1F ZINC000807396683 1080563217 /nfs/dbraw/zinc/56/32/17/1080563217.db2.gz KFAYSUDPUYLZBE-QMMMGPOBSA-N 0 0 413.308 2.966 20 5 HFBDRN CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3Cc4ccccc4[C@@H]3C)cc2[N+](=O)[O-])CC1 ZINC001130926985 1080569364 /nfs/dbraw/zinc/56/93/64/1080569364.db2.gz WAUNMDRHPDYQOD-MGPUTAFESA-N 0 0 422.485 2.722 20 5 HFBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(CC(=O)N1CCCCCC1)C(C)C ZINC000807389899 1080585826 /nfs/dbraw/zinc/58/58/26/1080585826.db2.gz ONBNECNIQXYXGD-UHFFFAOYSA-N 0 0 422.457 2.620 20 5 HFBDRN NC(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1Cl ZINC000807428626 1080589857 /nfs/dbraw/zinc/58/98/57/1080589857.db2.gz FPWVNACYIMXJMW-UHFFFAOYSA-N 0 0 402.716 2.691 20 5 HFBDRN CC(C)Cc1cc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)n(C)n1 ZINC000807471882 1080652059 /nfs/dbraw/zinc/65/20/59/1080652059.db2.gz JBPIQFBMDDCHFX-UHFFFAOYSA-N 0 0 411.365 2.705 20 5 HFBDRN CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807530522 1080741156 /nfs/dbraw/zinc/74/11/56/1080741156.db2.gz MPMKJWXDZZAXBX-UHFFFAOYSA-N 0 0 400.563 2.633 20 5 HFBDRN CN(CC(F)(F)Br)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000807531490 1080743057 /nfs/dbraw/zinc/74/30/57/1080743057.db2.gz WRYYGOHEDAEAHC-UHFFFAOYSA-N 0 0 400.563 2.633 20 5 HFBDRN O=C(NC[C@@H](CO)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807521528 1080775000 /nfs/dbraw/zinc/77/50/00/1080775000.db2.gz HBNMAMXZGQVGRM-NSHDSACASA-N 0 0 412.229 2.732 20 5 HFBDRN Cc1cncc(Br)c1NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001130994773 1080796788 /nfs/dbraw/zinc/79/67/88/1080796788.db2.gz CKAFARCRCBWJDJ-UHFFFAOYSA-N 0 0 408.208 2.896 20 5 HFBDRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2 ZINC001164432692 718974352 /nfs/dbraw/zinc/97/43/52/718974352.db2.gz IOCGGAORNAWKOW-IUODEOHRSA-N 0 0 405.785 2.737 20 5 HFBDRN O=[N+]([O-])c1cc(C(F)(F)N2CCc3onc(Cn4ccnc4)c3C2)cnc1Cl ZINC001164677113 719563220 /nfs/dbraw/zinc/56/32/20/719563220.db2.gz JGCSMTVHXROFAW-UHFFFAOYSA-N 0 0 410.768 2.984 20 5 HFBDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001164779099 721344727 /nfs/dbraw/zinc/34/47/27/721344727.db2.gz QXHSQRJQBSKVLM-HXUWFJFHSA-N 0 0 419.457 2.853 20 5 HFBDRN Cc1nc(Cl)nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164794344 721527679 /nfs/dbraw/zinc/52/76/79/721527679.db2.gz BZHHVQYTPRSWEI-VYDXJSESSA-N 0 0 418.885 2.610 20 5 HFBDRN O=C1[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)C[C@@H]2CN1c1cccnc1 ZINC001165025320 721789377 /nfs/dbraw/zinc/78/93/77/721789377.db2.gz VCBCCXNUCDHJJJ-PWSUYJOCSA-N 0 0 409.780 2.682 20 5 HFBDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc4cccc([N+](=O)[O-])c4n3)C[C@@H]21 ZINC001164940510 721944243 /nfs/dbraw/zinc/94/42/43/721944243.db2.gz BGQXNRODOUWGQY-OALUTQOASA-N 0 0 409.446 2.837 20 5 HFBDRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc([N+](=O)[O-])cc4C)CC[C@@H]32)cs1 ZINC001164987516 722175209 /nfs/dbraw/zinc/17/52/09/722175209.db2.gz OBBOSZRMBVEMDS-ROUUACIJSA-N 0 0 403.508 2.933 20 5 HFBDRN C[C@H]1CN(C(C)(C)CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000790498919 1078043916 /nfs/dbraw/zinc/04/39/16/1078043916.db2.gz VPQTWOSXQWJWDX-RYUDHWBXSA-N 0 0 401.866 2.934 20 5 HFBDRN O=[N+]([O-])c1nn(CN2CCC(Oc3ccc(F)nc3)CC2)cc1Br ZINC000790465668 1078044762 /nfs/dbraw/zinc/04/47/62/1078044762.db2.gz KQXSKXPDUONYRA-UHFFFAOYSA-N 0 0 400.208 2.589 20 5 HFBDRN Cc1cn(CN2CCO[C@H](COc3ccccc3)C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000790466418 1078044901 /nfs/dbraw/zinc/04/49/01/1078044901.db2.gz FTIFYRMNZBQVDW-IBGZPJMESA-N 0 0 424.457 2.593 20 5 HFBDRN CS(=O)(=O)Nc1cccc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790504052 1078046871 /nfs/dbraw/zinc/04/68/71/1078046871.db2.gz GJATYUKHFWBYBH-UHFFFAOYSA-N 0 0 415.830 2.618 20 5 HFBDRN CC(=O)N1CC=C(c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000790512289 1078048261 /nfs/dbraw/zinc/04/82/61/1078048261.db2.gz NXJAOXYXFRNTKX-UHFFFAOYSA-N 0 0 402.428 2.998 20 5 HFBDRN C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000793012968 1078048480 /nfs/dbraw/zinc/04/84/80/1078048480.db2.gz OFIBTZILDAHTKV-CYBMUJFWSA-N 0 0 407.467 2.736 20 5 HFBDRN Cc1ccc(C(=O)NCCNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cc1F ZINC000790515596 1078048948 /nfs/dbraw/zinc/04/89/48/1078048948.db2.gz CXBVAFMDEFZRGM-UHFFFAOYSA-N 0 0 411.792 2.924 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000793038651 1078053490 /nfs/dbraw/zinc/05/34/90/1078053490.db2.gz GMCZIHSRRDFUEF-UHFFFAOYSA-N 0 0 417.384 2.747 20 5 HFBDRN Cc1nc(CN2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC2)oc1C ZINC000790555369 1078055326 /nfs/dbraw/zinc/05/53/26/1078055326.db2.gz SRXLFYKKMGDQNP-UHFFFAOYSA-N 0 0 410.833 2.879 20 5 HFBDRN COCCn1cc2c(n1)[C@H](NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])CCC2 ZINC000790564761 1078056890 /nfs/dbraw/zinc/05/68/90/1078056890.db2.gz OQVKBWBGDMOSGB-OAHLLOKOSA-N 0 0 410.833 2.967 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)N2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000793029607 1078059483 /nfs/dbraw/zinc/05/94/83/1078059483.db2.gz AKOGNZGOLOWMTN-UHFFFAOYSA-N 0 0 419.478 2.629 20 5 HFBDRN C[C@@]1(c2cccc(NC(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])c2)NC(=O)NC1=O ZINC000790544123 1078059660 /nfs/dbraw/zinc/05/96/60/1078059660.db2.gz WFLCFLXNVSAACK-SFHVURJKSA-N 0 0 420.784 2.623 20 5 HFBDRN O=C(Cc1cccc(F)c1)NCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790546173 1078060275 /nfs/dbraw/zinc/06/02/75/1078060275.db2.gz NNGDBMSELUBVNF-UHFFFAOYSA-N 0 0 411.792 2.544 20 5 HFBDRN Cc1cc2ncc(C(=O)OCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c(C)n2n1 ZINC000746925570 1078060614 /nfs/dbraw/zinc/06/06/14/1078060614.db2.gz KLTPQXPCAQNYSV-UHFFFAOYSA-N 0 0 403.782 2.703 20 5 HFBDRN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NOCc1ccc(C(F)(F)F)cc1 ZINC000746933022 1078071774 /nfs/dbraw/zinc/07/17/74/1078071774.db2.gz QCDGVFYIFLDCSW-UHFFFAOYSA-N 0 0 411.336 2.982 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000746934897 1078079322 /nfs/dbraw/zinc/07/93/22/1078079322.db2.gz MAKHZLRPHCMGJR-ZDUSSCGKSA-N 0 0 416.361 2.601 20 5 HFBDRN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCCC3CS(=O)(=O)C3)cc2[N+](=O)[O-])C1 ZINC000790628974 1078082273 /nfs/dbraw/zinc/08/22/73/1078082273.db2.gz AWTQOQCIDJWTNA-KBPBESRZSA-N 0 0 410.492 2.669 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000790664936 1078083134 /nfs/dbraw/zinc/08/31/34/1078083134.db2.gz WXJGFSQVOMEWOA-LLVKDONJSA-N 0 0 407.833 2.874 20 5 HFBDRN O=C(OCCC1CS(=O)(=O)C1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000790665845 1078083699 /nfs/dbraw/zinc/08/36/99/1078083699.db2.gz OZHYCJQNKIMOCR-UHFFFAOYSA-N 0 0 407.394 2.551 20 5 HFBDRN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000793118983 1078084547 /nfs/dbraw/zinc/08/45/47/1078084547.db2.gz VJRSTOWDHQHOGS-LBPRGKRZSA-N 0 0 419.459 2.861 20 5 HFBDRN Cc1nccc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000790670828 1078085591 /nfs/dbraw/zinc/08/55/91/1078085591.db2.gz FLAIVTHIQXLTLL-UHFFFAOYSA-N 0 0 406.240 2.724 20 5 HFBDRN COCC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000793131097 1078086883 /nfs/dbraw/zinc/08/68/83/1078086883.db2.gz ZVPCMCOZBXBOCE-UHFFFAOYSA-N 0 0 407.467 2.875 20 5 HFBDRN CC(C)Cc1ccccc1C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000790650922 1078093881 /nfs/dbraw/zinc/09/38/81/1078093881.db2.gz LWTDNMUAVZQDCT-UHFFFAOYSA-N 0 0 405.476 2.502 20 5 HFBDRN CCOC(=O)CCCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790654701 1078094687 /nfs/dbraw/zinc/09/46/87/1078094687.db2.gz DOGSOYVHWXGKFU-UHFFFAOYSA-N 0 0 414.256 2.768 20 5 HFBDRN Cc1noc(CCCNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000790692160 1078097957 /nfs/dbraw/zinc/09/79/57/1078097957.db2.gz AVZMBWYWPHROTI-UHFFFAOYSA-N 0 0 424.255 2.749 20 5 HFBDRN CSCCONC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000793253321 1078111142 /nfs/dbraw/zinc/11/11/42/1078111142.db2.gz DXPDGVQDTQNTPS-UHFFFAOYSA-N 0 0 408.402 2.740 20 5 HFBDRN COc1cc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)cc([N+](=O)[O-])c1C ZINC000790759415 1078112034 /nfs/dbraw/zinc/11/20/34/1078112034.db2.gz GUSYGLJJUGWYDC-HOCLYGCPSA-N 0 0 406.460 2.938 20 5 HFBDRN COC(=O)CCCc1nnc(NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])s1 ZINC000790769294 1078114835 /nfs/dbraw/zinc/11/48/35/1078114835.db2.gz XMQHDSRMTUZQPB-UHFFFAOYSA-N 0 0 416.818 2.916 20 5 HFBDRN Cc1c(NC(=O)[C@H](C)OC(=O)Cn2ccc3ccccc3c2=O)cccc1[N+](=O)[O-] ZINC000790723807 1078115630 /nfs/dbraw/zinc/11/56/30/1078115630.db2.gz RMNBUYNHBQUCBD-AWEZNQCLSA-N 0 0 409.398 2.789 20 5 HFBDRN Cc1nnc(CNC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)s1 ZINC000790812267 1078126489 /nfs/dbraw/zinc/12/64/89/1078126489.db2.gz FZPDSNJNZUPGIA-UHFFFAOYSA-N 0 0 412.269 2.785 20 5 HFBDRN COc1ccccc1CCNC(=O)COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790743812 1078122600 /nfs/dbraw/zinc/12/26/00/1078122600.db2.gz YXBSVZVWXFHCSQ-UHFFFAOYSA-N 0 0 424.812 2.841 20 5 HFBDRN CN(C)S(=O)(=O)c1ccc(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])o1 ZINC000790743852 1078122624 /nfs/dbraw/zinc/12/26/24/1078122624.db2.gz ZCLMNNIOIDNSTN-UHFFFAOYSA-N 0 0 420.802 2.517 20 5 HFBDRN COc1ccc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cc1 ZINC000790815606 1078128129 /nfs/dbraw/zinc/12/81/29/1078128129.db2.gz OMDOHTQEUAMQKO-UHFFFAOYSA-N 0 0 409.420 2.649 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)c1[N+](=O)[O-] ZINC000790839232 1078142083 /nfs/dbraw/zinc/14/20/83/1078142083.db2.gz NKWQFQWTZTWHQT-CYBMUJFWSA-N 0 0 403.460 2.770 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCOc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000790842960 1078144929 /nfs/dbraw/zinc/14/49/29/1078144929.db2.gz KASSREORXQGKSS-ZDUSSCGKSA-N 0 0 421.431 2.964 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](CCO)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000790847708 1078147378 /nfs/dbraw/zinc/14/73/78/1078147378.db2.gz CPIPZEHQJWYZAQ-AWEZNQCLSA-N 0 0 415.468 2.729 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790851610 1078148945 /nfs/dbraw/zinc/14/89/45/1078148945.db2.gz QYEBCZGKNWKTPE-CQSZACIVSA-N 0 0 413.496 2.842 20 5 HFBDRN CCO[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C12CCC2 ZINC000790851316 1078149146 /nfs/dbraw/zinc/14/91/46/1078149146.db2.gz DSLPZWCFKSTLMF-CABCVRRESA-N 0 0 413.452 2.746 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCCC(=O)OC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000790852498 1078149784 /nfs/dbraw/zinc/14/97/84/1078149784.db2.gz WXITXIYMZOMHSB-UHFFFAOYSA-N 0 0 417.440 2.520 20 5 HFBDRN Cc1ccsc1[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790855703 1078152191 /nfs/dbraw/zinc/15/21/91/1078152191.db2.gz BRHVQYMQCUTXOZ-NSHDSACASA-N 0 0 415.449 2.502 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(C)c1[N+](=O)[O-] ZINC000790857444 1078152540 /nfs/dbraw/zinc/15/25/40/1078152540.db2.gz OWWDVVWDPKDKAP-GFCCVEGCSA-N 0 0 409.424 2.759 20 5 HFBDRN COc1cc(C)ccc1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790857285 1078152561 /nfs/dbraw/zinc/15/25/61/1078152561.db2.gz NGBYDGRNINRDQO-UHFFFAOYSA-N 0 0 409.420 2.915 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](c2ccccc2)N(C)C)c(C)c1[N+](=O)[O-] ZINC000790819958 1078155161 /nfs/dbraw/zinc/15/51/61/1078155161.db2.gz NNOAWCGAJTZSRE-MRXNPFEDSA-N 0 0 422.463 2.701 20 5 HFBDRN CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000790824363 1078156927 /nfs/dbraw/zinc/15/69/27/1078156927.db2.gz WIQLJVVBXMSCPJ-UHFFFAOYSA-N 0 0 417.487 2.925 20 5 HFBDRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC000790825746 1078158105 /nfs/dbraw/zinc/15/81/05/1078158105.db2.gz AXWSXZVBSWQBHU-UHFFFAOYSA-N 0 0 401.448 2.613 20 5 HFBDRN CCc1nc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cs1 ZINC000790835719 1078162584 /nfs/dbraw/zinc/16/25/84/1078162584.db2.gz JXOCHPHACYCLNR-UHFFFAOYSA-N 0 0 414.465 2.959 20 5 HFBDRN COC(=O)c1ccc(COC(=O)c2sc(Br)cc2[N+](=O)[O-])nc1 ZINC000793387040 1078163031 /nfs/dbraw/zinc/16/30/31/1078163031.db2.gz HYKCCGBIVOPOKW-UHFFFAOYSA-N 0 0 401.194 2.957 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](OC(F)F)C2)c(C)c1[N+](=O)[O-] ZINC000790869445 1078165684 /nfs/dbraw/zinc/16/56/84/1078165684.db2.gz FYGZSHVNNAWMIO-JTQLQIEISA-N 0 0 409.367 2.512 20 5 HFBDRN COCC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)c1ccco1 ZINC000790870314 1078166362 /nfs/dbraw/zinc/16/63/62/1078166362.db2.gz MZRDKIGUKKQYQU-GFCCVEGCSA-N 0 0 413.408 2.769 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)c(C)c1[N+](=O)[O-] ZINC000790870631 1078166377 /nfs/dbraw/zinc/16/63/77/1078166377.db2.gz KOFKIFSXLIMIFI-SJORKVTESA-N 0 0 413.452 2.603 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Oc2ccc3c(c2)NC(=O)CC3)c(C)c1[N+](=O)[O-] ZINC000790875451 1078168258 /nfs/dbraw/zinc/16/82/58/1078168258.db2.gz LRDYMWIWYSWSAU-UHFFFAOYSA-N 0 0 421.387 2.772 20 5 HFBDRN COC(=O)CCN(Cc1ccncc1)C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790876535 1078168490 /nfs/dbraw/zinc/16/84/90/1078168490.db2.gz YUKJNSUZIMYPIY-UHFFFAOYSA-N 0 0 409.801 2.917 20 5 HFBDRN CCOC(=O)N1CCC[C@@H]([C@H](C)NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000790876391 1078168831 /nfs/dbraw/zinc/16/88/31/1078168831.db2.gz XZHPPBQJDVIIEY-LSDHHAIUSA-N 0 0 413.496 2.747 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@](C)(O)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000790878902 1078169121 /nfs/dbraw/zinc/16/91/21/1078169121.db2.gz DWXSOCGMQAIKMJ-GOSISDBHSA-N 0 0 423.447 2.696 20 5 HFBDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000790899458 1078177110 /nfs/dbraw/zinc/17/71/10/1078177110.db2.gz KFEATYXMPIACFG-KRWDZBQOSA-N 0 0 410.833 2.636 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CCCc3c2cnn3C)c(C)c1[N+](=O)[O-] ZINC000790860518 1078178320 /nfs/dbraw/zinc/17/83/20/1078178320.db2.gz DMQJZCLKZNKZHK-CQSZACIVSA-N 0 0 423.451 2.551 20 5 HFBDRN Cc1nc(CCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)sc1C ZINC000790862679 1078181160 /nfs/dbraw/zinc/18/11/60/1078181160.db2.gz KZYYFBKGAONHHE-UHFFFAOYSA-N 0 0 414.465 2.714 20 5 HFBDRN COCCC1(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CCC1 ZINC000790863861 1078181719 /nfs/dbraw/zinc/18/17/19/1078181719.db2.gz VBHCTMHSKIGILM-UHFFFAOYSA-N 0 0 401.441 2.605 20 5 HFBDRN Cc1cc(N2CC[C@@H](OC(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C2=O)n(C)n1 ZINC000747124438 1078186593 /nfs/dbraw/zinc/18/65/93/1078186593.db2.gz BYQMSQLVIAIFQN-CYBMUJFWSA-N 0 0 412.324 2.618 20 5 HFBDRN O=C1[C@H](CCc2ccccc2)CCN1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000793484413 1078189986 /nfs/dbraw/zinc/18/99/86/1078189986.db2.gz RSVNJZXTBRYDEP-LJQANCHMSA-N 0 0 409.490 2.551 20 5 HFBDRN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cc(C2CC2)cnc1Cl ZINC000793815495 1078315811 /nfs/dbraw/zinc/31/58/11/1078315811.db2.gz XBOQXDCISWTXIF-UHFFFAOYSA-N 0 0 409.851 2.724 20 5 HFBDRN CCOCc1nc([C@H](C)NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)no1 ZINC000793904893 1078334112 /nfs/dbraw/zinc/33/41/12/1078334112.db2.gz AKUHJELCSQGAJH-ZETCQYMHSA-N 0 0 417.191 2.907 20 5 HFBDRN CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000793968738 1078349144 /nfs/dbraw/zinc/34/91/44/1078349144.db2.gz AOJWPVLRWMUJDU-HNNXBMFYSA-N 0 0 407.471 2.600 20 5 HFBDRN O=Cc1ccc(OCC(=O)N2CCN(c3cncc4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000793942219 1078353323 /nfs/dbraw/zinc/35/33/23/1078353323.db2.gz DNGHHHISXCOVRS-UHFFFAOYSA-N 0 0 420.425 2.683 20 5 HFBDRN Cc1nnc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2I)s1 ZINC000794001190 1078359842 /nfs/dbraw/zinc/35/98/42/1078359842.db2.gz ADRAUEASNRHAQJ-UHFFFAOYSA-N 0 0 404.189 2.636 20 5 HFBDRN Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000794023260 1078363137 /nfs/dbraw/zinc/36/31/37/1078363137.db2.gz DLBVMYCKQQPNFM-MRXNPFEDSA-N 0 0 400.435 2.712 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)c3ccc(-n4ccnc4)nc3)CC2)ccc1[N+](=O)[O-] ZINC000794044439 1078364913 /nfs/dbraw/zinc/36/49/13/1078364913.db2.gz QZBOQNGVHOROLG-UHFFFAOYSA-N 0 0 422.445 2.537 20 5 HFBDRN CCOc1cc(N2CCN(C(=O)C[C@H]3CSCCS3)CC2)ccc1[N+](=O)[O-] ZINC000794045076 1078365268 /nfs/dbraw/zinc/36/52/68/1078365268.db2.gz DDNTXKZREQZJNA-HNNXBMFYSA-N 0 0 411.549 2.881 20 5 HFBDRN CN(CCOC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000747173260 1078369358 /nfs/dbraw/zinc/36/93/58/1078369358.db2.gz ORLWBOMAHBHHCF-OAHLLOKOSA-N 0 0 403.460 2.941 20 5 HFBDRN CN(CC(=O)O[C@@H]1CCCc2cc(F)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000747177901 1078377061 /nfs/dbraw/zinc/37/70/61/1078377061.db2.gz AIBPTSQQQCMMAV-GOSISDBHSA-N 0 0 422.434 2.975 20 5 HFBDRN COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc(N3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1 ZINC000794159584 1078378467 /nfs/dbraw/zinc/37/84/67/1078378467.db2.gz BDCAMRXFBSIRIU-JKSUJKDBSA-N 0 0 409.398 2.543 20 5 HFBDRN O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000794300356 1078404900 /nfs/dbraw/zinc/40/49/00/1078404900.db2.gz LNLHGPPCCWHOLP-UHFFFAOYSA-N 0 0 408.292 2.521 20 5 HFBDRN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)C[C@@]2(CCOC2)O1 ZINC000794315964 1078409631 /nfs/dbraw/zinc/40/96/31/1078409631.db2.gz FTVGZGDJCUZOSD-OAQYLSRUSA-N 0 0 403.479 2.995 20 5 HFBDRN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)c2)C1=O ZINC000794260681 1078410585 /nfs/dbraw/zinc/41/05/85/1078410585.db2.gz TVHHAPFSLONNDD-CQSZACIVSA-N 0 0 404.329 2.960 20 5 HFBDRN O=C(N[C@@H](CO)c1ccccc1OC(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000794261600 1078410908 /nfs/dbraw/zinc/41/09/08/1078410908.db2.gz BUDIDWCSQLEQHZ-ZDUSSCGKSA-N 0 0 415.280 2.865 20 5 HFBDRN CCOC(=O)C1(COC)CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000794337836 1078418854 /nfs/dbraw/zinc/41/88/54/1078418854.db2.gz AWXHNGXUWGCXMN-UHFFFAOYSA-N 0 0 416.833 2.748 20 5 HFBDRN CCOC(=O)C1(COC)CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000794334881 1078417534 /nfs/dbraw/zinc/41/75/34/1078417534.db2.gz UIXLIRUAOVEHPB-UHFFFAOYSA-N 0 0 423.422 2.552 20 5 HFBDRN Cc1cc(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC001129423424 1078450703 /nfs/dbraw/zinc/45/07/03/1078450703.db2.gz AAYCIDZISRMNPM-UHFFFAOYSA-N 0 0 420.267 2.986 20 5 HFBDRN Cc1csc([C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(F)(F)F)n1 ZINC001129452829 1078459174 /nfs/dbraw/zinc/45/91/74/1078459174.db2.gz TZBGJLNWEPROCI-NSHDSACASA-N 0 0 423.394 2.797 20 5 HFBDRN Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NC1(CF)CCOCC1 ZINC001129453229 1078459375 /nfs/dbraw/zinc/45/93/75/1078459375.db2.gz HTQGSHHYOYJNCX-UHFFFAOYSA-N 0 0 422.194 2.756 20 5 HFBDRN COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCN(C)CC3)c(Cl)c2)n1 ZINC000804399904 1078463856 /nfs/dbraw/zinc/46/38/56/1078463856.db2.gz KHZAHLUGMCSCCW-UHFFFAOYSA-N 0 0 405.842 2.925 20 5 HFBDRN O=C(C1CC1)N1CCN(c2ccc(Nc3c([N+](=O)[O-])cccc3[N+](=O)[O-])cn2)CC1 ZINC000804401544 1078466191 /nfs/dbraw/zinc/46/61/91/1078466191.db2.gz XPGZFNKDZJOWBN-UHFFFAOYSA-N 0 0 412.406 2.700 20 5 HFBDRN Cn1c2cc(NCCN(C(=O)OC(C)(C)C)C3CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804424292 1078470925 /nfs/dbraw/zinc/47/09/25/1078470925.db2.gz CZRBEXKSPKXMMF-UHFFFAOYSA-N 0 0 405.455 2.597 20 5 HFBDRN C[C@H]1CC(C)(C)CN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001129777609 1078488333 /nfs/dbraw/zinc/48/83/33/1078488333.db2.gz NEILWSGSCXCZRC-GJZGRUSLSA-N 0 0 409.508 2.643 20 5 HFBDRN COC(=O)c1ccc(N2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)s1 ZINC001129502021 1078492682 /nfs/dbraw/zinc/49/26/82/1078492682.db2.gz VAVDLPIFRDRNRB-UHFFFAOYSA-N 0 0 418.475 2.594 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000804443027 1078508412 /nfs/dbraw/zinc/50/84/12/1078508412.db2.gz ATBGBDMUNXNSJJ-DOTOQJQBSA-N 0 0 402.495 2.614 20 5 HFBDRN COC(=O)[C@@H](C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1 ZINC001129815823 1078512682 /nfs/dbraw/zinc/51/26/82/1078512682.db2.gz IDQBRFYAJRJESQ-NSHDSACASA-N 0 0 406.416 2.527 20 5 HFBDRN CC(=O)c1cc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000804447985 1078514184 /nfs/dbraw/zinc/51/41/84/1078514184.db2.gz LFIXWDMIGFNXPU-UHFFFAOYSA-N 0 0 409.386 2.771 20 5 HFBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000804695257 1078536332 /nfs/dbraw/zinc/53/63/32/1078536332.db2.gz FPHNHLMHEFJZQJ-UHFFFAOYSA-N 0 0 415.830 2.980 20 5 HFBDRN CC(C)(C)OC(=O)NCCN(CCc1ccccc1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000804710781 1078552630 /nfs/dbraw/zinc/55/26/30/1078552630.db2.gz CCHCWWQXZOAXJI-UHFFFAOYSA-N 0 0 402.455 2.541 20 5 HFBDRN COCc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000747210416 1078563495 /nfs/dbraw/zinc/56/34/95/1078563495.db2.gz MRXCXDRAUXPXAB-UHFFFAOYSA-N 0 0 415.446 2.721 20 5 HFBDRN O=C(NC1(C(=O)OCc2ccccc2)CCC1)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001129564569 1078558330 /nfs/dbraw/zinc/55/83/30/1078558330.db2.gz VJDRASFDINHAIJ-UHFFFAOYSA-N 0 0 421.413 2.571 20 5 HFBDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001129567515 1078561353 /nfs/dbraw/zinc/56/13/53/1078561353.db2.gz RTQGMBOXNOBXHB-JLTOFOAXSA-N 0 0 412.421 2.964 20 5 HFBDRN CN(CC(=O)N1CCOC[C@H]1CC(F)F)c1cc(Br)ccc1[N+](=O)[O-] ZINC000804722710 1078561712 /nfs/dbraw/zinc/56/17/12/1078561712.db2.gz MOPOWJIXQQELOS-LLVKDONJSA-N 0 0 422.226 2.676 20 5 HFBDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)CCO1 ZINC000804553121 1078579283 /nfs/dbraw/zinc/57/92/83/1078579283.db2.gz KDQUFCCWAKWSGT-CMPLNLGQSA-N 0 0 409.468 2.718 20 5 HFBDRN C[C@@H](NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccccc1 ZINC001129619234 1078595902 /nfs/dbraw/zinc/59/59/02/1078595902.db2.gz XLRTVQCBXNDMRY-HUUCEWRRSA-N 0 0 401.488 2.939 20 5 HFBDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000804758885 1078608531 /nfs/dbraw/zinc/60/85/31/1078608531.db2.gz FMYMLSLQIBPIBQ-UHFFFAOYSA-N 0 0 405.480 2.853 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000804763806 1078620527 /nfs/dbraw/zinc/62/05/27/1078620527.db2.gz QYZBUSVHFFXSBV-MRXNPFEDSA-N 0 0 418.494 2.670 20 5 HFBDRN C[C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]1C(=O)OC(C)(C)C ZINC001129951625 1078627466 /nfs/dbraw/zinc/62/74/66/1078627466.db2.gz RLEKPLNKIWYMDI-CXAGYDPISA-N 0 0 415.450 2.758 20 5 HFBDRN CCO[C@@H]1CCC[C@H]1NC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC001129672659 1078630993 /nfs/dbraw/zinc/63/09/93/1078630993.db2.gz PWVFOJLPPAIUQJ-IUODEOHRSA-N 0 0 400.273 2.867 20 5 HFBDRN COC(=O)/C=C\c1ccc(N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000804799591 1078631004 /nfs/dbraw/zinc/63/10/04/1078631004.db2.gz BOJRECIGEGTSLG-DZFYGRHCSA-N 0 0 402.451 2.873 20 5 HFBDRN C[C@@H]1C[C@@H](N2CCOCC2)CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000804809111 1078638595 /nfs/dbraw/zinc/63/85/95/1078638595.db2.gz OQWLZRLLIICHRF-ZYHUDNBSSA-N 0 0 404.345 2.821 20 5 HFBDRN Cn1c2cc(NC[C@H](NC(=O)OC(C)(C)C)C3CC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000804585947 1078642336 /nfs/dbraw/zinc/64/23/36/1078642336.db2.gz KGJFATYLXBAAQK-ZDUSSCGKSA-N 0 0 405.455 2.500 20 5 HFBDRN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000804810954 1078655889 /nfs/dbraw/zinc/65/58/89/1078655889.db2.gz MORGUPDYYAMEJV-ZYHUDNBSSA-N 0 0 406.302 2.877 20 5 HFBDRN CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)CC1 ZINC000804833572 1078673921 /nfs/dbraw/zinc/67/39/21/1078673921.db2.gz APPDACKQHAOBCE-HNNXBMFYSA-N 0 0 416.482 2.603 20 5 HFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834027 1078675920 /nfs/dbraw/zinc/67/59/20/1078675920.db2.gz VBHUIKXVSRBMPJ-INIZCTEOSA-N 0 0 405.499 2.738 20 5 HFBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 ZINC000804834028 1078675965 /nfs/dbraw/zinc/67/59/65/1078675965.db2.gz VBHUIKXVSRBMPJ-MRXNPFEDSA-N 0 0 405.499 2.738 20 5 HFBDRN COc1cccc(N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)c1[N+](=O)[O-] ZINC000804835440 1078677623 /nfs/dbraw/zinc/67/76/23/1078677623.db2.gz UYNFUFUDZQMGET-HNNXBMFYSA-N 0 0 406.483 2.735 20 5 HFBDRN Cc1noc([C@@H]2CCCN2c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000804841750 1078680477 /nfs/dbraw/zinc/68/04/77/1078680477.db2.gz CDNDPQJEORXQGH-NSHDSACASA-N 0 0 406.342 2.921 20 5 HFBDRN CCC[C@H]1CCCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC001129733572 1078680828 /nfs/dbraw/zinc/68/08/28/1078680828.db2.gz IVISLFRKLPHGME-HOTGVXAUSA-N 0 0 411.524 2.938 20 5 HFBDRN COC(=O)/C=C\c1ccc(N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c([N+](=O)[O-])c1 ZINC000804841506 1078680798 /nfs/dbraw/zinc/68/07/98/1078680798.db2.gz VVRLLOBRNAVJMZ-GEZBDVBVSA-N 0 0 403.822 2.943 20 5 HFBDRN CCOc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000804631170 1078686313 /nfs/dbraw/zinc/68/63/13/1078686313.db2.gz OMTZWPQLHNDTSJ-HOTGVXAUSA-N 0 0 421.450 2.503 20 5 HFBDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000804877155 1078701152 /nfs/dbraw/zinc/70/11/52/1078701152.db2.gz FFQKUHSZWRTZAW-INIZCTEOSA-N 0 0 407.471 2.540 20 5 HFBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NCCS(=O)(=O)C2CC2)cc1 ZINC001129740539 1078710163 /nfs/dbraw/zinc/71/01/63/1078710163.db2.gz FHBPSYZILKUEBQ-UHFFFAOYSA-N 0 0 420.443 2.703 20 5 HFBDRN COC(=O)c1ccc(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)n1C ZINC001129748138 1078725296 /nfs/dbraw/zinc/72/52/96/1078725296.db2.gz ZRONWPSIYJYNEE-ZDUSSCGKSA-N 0 0 403.288 2.892 20 5 HFBDRN COC[C@@]1(CNC(=O)NCc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000804921715 1078742768 /nfs/dbraw/zinc/74/27/68/1078742768.db2.gz FDWBIPKKYRGDNP-FQEVSTJZSA-N 0 0 422.482 2.810 20 5 HFBDRN Cc1c(C(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000804899273 1078754953 /nfs/dbraw/zinc/75/49/53/1078754953.db2.gz UMVJBSYUGDGPGB-UHFFFAOYSA-N 0 0 416.321 2.856 20 5 HFBDRN CCO[C@@H](C)c1noc(CN2CCN(c3cc(OC)cc(F)c3[N+](=O)[O-])CC2)n1 ZINC000747224436 1078788852 /nfs/dbraw/zinc/78/88/52/1078788852.db2.gz RVVWLWONPIKEQP-LBPRGKRZSA-N 0 0 409.418 2.545 20 5 HFBDRN COc1ccc(C(=O)NC[C@H](O)c2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000747224718 1078785543 /nfs/dbraw/zinc/78/55/43/1078785543.db2.gz BLSSCSFJMRZLPE-AWEZNQCLSA-N 0 0 400.309 2.965 20 5 HFBDRN COc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000805121352 1078911713 /nfs/dbraw/zinc/91/17/13/1078911713.db2.gz OOFHBFRVNIXZIS-CQSZACIVSA-N 0 0 420.365 2.634 20 5 HFBDRN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000805121510 1078905218 /nfs/dbraw/zinc/90/52/18/1078905218.db2.gz FOENHOQBFSTNEI-ZDUSSCGKSA-N 0 0 420.365 2.634 20 5 HFBDRN C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001130075517 1078909716 /nfs/dbraw/zinc/90/97/16/1078909716.db2.gz QBLJAZKBWJBIEO-HIFRSBDPSA-N 0 0 415.450 2.758 20 5 HFBDRN Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] ZINC000805122545 1078921619 /nfs/dbraw/zinc/92/16/19/1078921619.db2.gz ZZIIRIIXUSXZCZ-OAHLLOKOSA-N 0 0 404.366 2.934 20 5 HFBDRN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCC[C@H](n2ccnn2)C1 ZINC001130121865 1078991564 /nfs/dbraw/zinc/99/15/64/1078991564.db2.gz CNWPQRBHTGMMRQ-ZDUSSCGKSA-N 0 0 412.372 2.871 20 5 HFBDRN COc1nc(C)cc(C)c1COC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O ZINC000805344902 1079027743 /nfs/dbraw/zinc/02/77/43/1079027743.db2.gz AVYHSYZLKDSFTK-UHFFFAOYSA-N 0 0 424.413 2.827 20 5 HFBDRN O=C(Nc1nn(CC(F)(F)F)cc1Cl)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001130175863 1079034927 /nfs/dbraw/zinc/03/49/27/1079034927.db2.gz RRYRQDNQNDVTDK-UHFFFAOYSA-N 0 0 415.719 2.840 20 5 HFBDRN COc1cc(OCC(=O)OCC(=O)c2ccc(C(F)(F)F)cn2)ccc1[N+](=O)[O-] ZINC000805427840 1079058757 /nfs/dbraw/zinc/05/87/57/1079058757.db2.gz PDTYFVKNQGXKBV-UHFFFAOYSA-N 0 0 414.292 2.822 20 5 HFBDRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001130220413 1079083980 /nfs/dbraw/zinc/08/39/80/1079083980.db2.gz LLHGGGIQFCZQRP-UHFFFAOYSA-N 0 0 410.386 2.796 20 5 HFBDRN COC(=O)c1cccc(OCc2ccccc2)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001130220288 1079098262 /nfs/dbraw/zinc/09/82/62/1079098262.db2.gz GYHKNSNORHBIAY-UHFFFAOYSA-N 0 0 410.386 2.796 20 5 HFBDRN COC(=O)c1nnn(-c2ccccc2)c1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001130201459 1079100087 /nfs/dbraw/zinc/10/00/87/1079100087.db2.gz HCVNFJMAVLFDFT-UHFFFAOYSA-N 0 0 417.328 2.693 20 5 HFBDRN COC(=O)C(C)(C)C(=O)[C@@H](C)OC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000805513411 1079112463 /nfs/dbraw/zinc/11/24/63/1079112463.db2.gz SBQXRXIVEYGCPR-SECBINFHSA-N 0 0 416.224 2.979 20 5 HFBDRN COc1cccc2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])sc21 ZINC001130244502 1079131605 /nfs/dbraw/zinc/13/16/05/1079131605.db2.gz GZPKENXBOAUWOO-UHFFFAOYSA-N 0 0 407.429 2.869 20 5 HFBDRN C[C@H](C(=O)O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)n1ccc2ccccc2c1=O ZINC000805632751 1079186524 /nfs/dbraw/zinc/18/65/24/1079186524.db2.gz SUTHYHARRSXMNG-KUHUBIRLSA-N 0 0 421.409 2.819 20 5 HFBDRN CC(C)(C)OC(=O)N1CC[C@@](C(=O)OCCn2cc([N+](=O)[O-])cn2)(C(F)(F)F)C1 ZINC000805647850 1079201331 /nfs/dbraw/zinc/20/13/31/1079201331.db2.gz FGVYVERQYHDZST-OAHLLOKOSA-N 0 0 422.360 2.524 20 5 HFBDRN O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ncsc1Br ZINC000805709402 1079213113 /nfs/dbraw/zinc/21/31/13/1079213113.db2.gz KDQHSNBHAAFNRR-JTQLQIEISA-N 0 0 412.221 2.776 20 5 HFBDRN O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ncsc1Br ZINC000805709403 1079213177 /nfs/dbraw/zinc/21/31/77/1079213177.db2.gz KDQHSNBHAAFNRR-SNVBAGLBSA-N 0 0 412.221 2.776 20 5 HFBDRN C[C@@H](OC(=O)CO[C@@H](C)c1nccn1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000805687899 1079219283 /nfs/dbraw/zinc/21/92/83/1079219283.db2.gz FVDJSLRVZNVFDF-NWDGAFQWSA-N 0 0 401.379 2.760 20 5 HFBDRN C[C@H](OCC(=O)O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nccn1C ZINC000805687900 1079219295 /nfs/dbraw/zinc/21/92/95/1079219295.db2.gz FVDJSLRVZNVFDF-RYUDHWBXSA-N 0 0 401.379 2.760 20 5 HFBDRN O=C(COC(=O)c1ncsc1Br)Nc1cc([N+](=O)[O-])ccc1F ZINC000805710815 1079232734 /nfs/dbraw/zinc/23/27/34/1079232734.db2.gz XGTMLLBDFPLOBU-UHFFFAOYSA-N 0 0 404.173 2.748 20 5 HFBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805789148 1079256073 /nfs/dbraw/zinc/25/60/73/1079256073.db2.gz WBTOQQGMWVJAMF-MKBNYLNASA-N 0 0 416.400 2.619 20 5 HFBDRN C[S@](=O)Cc1ccc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000805867621 1079310270 /nfs/dbraw/zinc/31/02/70/1079310270.db2.gz MVCJEMHMKVJANK-LJAQVGFWSA-N 0 0 416.503 2.505 20 5 HFBDRN C[S@@](=O)c1ccc(CC(=O)OCC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000805871532 1079313519 /nfs/dbraw/zinc/31/35/19/1079313519.db2.gz KRWNCDYUBQYRDP-GDLZYMKVSA-N 0 0 417.487 2.730 20 5 HFBDRN O=[N+]([O-])c1ccc(Cl)c(OS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000747281292 1079353949 /nfs/dbraw/zinc/35/39/49/1079353949.db2.gz AQTRSQDCJCHVOI-UHFFFAOYSA-N 0 0 416.751 2.695 20 5 HFBDRN C[C@H](C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001130435633 1079354349 /nfs/dbraw/zinc/35/43/49/1079354349.db2.gz LTJYEINNYKNRHN-PRWKNARSSA-N 0 0 414.393 2.873 20 5 HFBDRN C[C@@H](OC(=O)c1ccc(Br)cc1[N+](=O)[O-])C(=O)NCc1ccccn1 ZINC000805954332 1079372231 /nfs/dbraw/zinc/37/22/31/1079372231.db2.gz FSXIFICOVRXMNM-SNVBAGLBSA-N 0 0 408.208 2.614 20 5 HFBDRN Cc1ccc([C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C(F)(F)F)o1 ZINC001130467104 1079378320 /nfs/dbraw/zinc/37/83/20/1079378320.db2.gz WMPFFSWGYNUMNT-INIZCTEOSA-N 0 0 413.308 2.641 20 5 HFBDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000747290149 1079390367 /nfs/dbraw/zinc/39/03/67/1079390367.db2.gz FGGFGBWCENSZAP-UHFFFAOYSA-N 0 0 419.475 2.905 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCC[C@@]3(CCCOC3)C2)c1 ZINC000747292163 1079393176 /nfs/dbraw/zinc/39/31/76/1079393176.db2.gz VQOQQCLJAKHVFK-OAHLLOKOSA-N 0 0 419.297 2.939 20 5 HFBDRN CS(=O)(=O)c1cc(C(=O)O[C@@H]2CCOc3c(F)cc(F)cc32)cc([N+](=O)[O-])c1 ZINC000806008893 1079399127 /nfs/dbraw/zinc/39/91/27/1079399127.db2.gz KBAQYLDRMDYIAI-OAHLLOKOSA-N 0 0 413.354 2.957 20 5 HFBDRN CC(C)Oc1ccncc1COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000806101328 1079430697 /nfs/dbraw/zinc/43/06/97/1079430697.db2.gz TZCPERQSDVLMDN-UHFFFAOYSA-N 0 0 405.432 2.711 20 5 HFBDRN CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001130553414 1079494685 /nfs/dbraw/zinc/49/46/85/1079494685.db2.gz BWBIQIFVGIRZSK-HNNXBMFYSA-N 0 0 415.450 2.902 20 5 HFBDRN C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)CC1(C)OCCO1 ZINC000746671061 1076743098 /nfs/dbraw/zinc/74/30/98/1076743098.db2.gz VGRUBPNJQVNFQC-SNVBAGLBSA-N 0 0 412.386 2.681 20 5 HFBDRN C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000787305701 1076752739 /nfs/dbraw/zinc/75/27/39/1076752739.db2.gz CXZCVUFPXRFOSJ-CYBMUJFWSA-N 0 0 418.475 2.550 20 5 HFBDRN Cc1ccnc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000787305741 1076753162 /nfs/dbraw/zinc/75/31/62/1076753162.db2.gz MUPYLHOALAJYQY-UHFFFAOYSA-N 0 0 414.399 2.713 20 5 HFBDRN CCOC(CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1)OCC ZINC000787362443 1076773086 /nfs/dbraw/zinc/77/30/86/1076773086.db2.gz RAJKCEAQFCFKJF-UHFFFAOYSA-N 0 0 422.219 2.718 20 5 HFBDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000787351827 1076792062 /nfs/dbraw/zinc/79/20/62/1076792062.db2.gz HYPWBERLMVUQQC-BXGCZWRVSA-N 0 0 415.215 2.910 20 5 HFBDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000746686129 1076821513 /nfs/dbraw/zinc/82/15/13/1076821513.db2.gz VWLFABXSOYQOON-UHFFFAOYSA-N 0 0 419.459 2.546 20 5 HFBDRN Cn1c(=O)ccc2ccc(NC(=O)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc21 ZINC000787590706 1076862007 /nfs/dbraw/zinc/86/20/07/1076862007.db2.gz UJGOBARVOPICTR-UHFFFAOYSA-N 0 0 400.778 2.677 20 5 HFBDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787592386 1076862633 /nfs/dbraw/zinc/86/26/33/1076862633.db2.gz FHDPFDRPBPZIQF-OAHLLOKOSA-N 0 0 407.471 2.744 20 5 HFBDRN CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000787592988 1076863477 /nfs/dbraw/zinc/86/34/77/1076863477.db2.gz ISUVDFRKVORQDQ-UHFFFAOYSA-N 0 0 421.498 2.992 20 5 HFBDRN O=C(NC1CCCCC1)[C@H](Cc1ccccc1)Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001170076281 1076891033 /nfs/dbraw/zinc/89/10/33/1076891033.db2.gz XSERCENMYLNXDN-INIZCTEOSA-N 0 0 402.426 2.839 20 5 HFBDRN CCOC(=O)[C@](C)(CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccccc1 ZINC000787640425 1076892386 /nfs/dbraw/zinc/89/23/86/1076892386.db2.gz ZXCJASJMYFYWJM-HXUWFJFHSA-N 0 0 404.394 2.750 20 5 HFBDRN O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCc1ccc(F)c(Cl)c1 ZINC000787668766 1076905459 /nfs/dbraw/zinc/90/54/59/1076905459.db2.gz GOOMCOMRJHKREO-UHFFFAOYSA-N 0 0 416.814 2.799 20 5 HFBDRN C[C@H](NC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H](O)c1ccc2c(c1)OCO2 ZINC000787728478 1076932680 /nfs/dbraw/zinc/93/26/80/1076932680.db2.gz OIDXQMMURQAKEE-WLRWDXFRSA-N 0 0 422.821 2.984 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000787739751 1076937496 /nfs/dbraw/zinc/93/74/96/1076937496.db2.gz QZWHKUQLNBRLDJ-KRWDZBQOSA-N 0 0 423.347 2.942 20 5 HFBDRN COc1cc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000787783508 1076944781 /nfs/dbraw/zinc/94/47/81/1076944781.db2.gz PAHNEJGTJZHEKD-GFCCVEGCSA-N 0 0 409.439 2.741 20 5 HFBDRN Cc1n[nH]c(C)c1CCOC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000772707137 1076946607 /nfs/dbraw/zinc/94/66/07/1076946607.db2.gz RZMGOMPCZPLAEN-UHFFFAOYSA-N 0 0 402.436 2.614 20 5 HFBDRN O=C(Nc1ccc([N+](=O)[O-])c(I)c1)N1CCN(C2CC2)CC1 ZINC000787809325 1076965491 /nfs/dbraw/zinc/96/54/91/1076965491.db2.gz OHHZGZVMNRQUML-UHFFFAOYSA-N 0 0 416.219 2.511 20 5 HFBDRN COc1ccc(NC(=O)[C@H](C)OC(=O)c2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000787855927 1076982803 /nfs/dbraw/zinc/98/28/03/1076982803.db2.gz LLQONAOGMIGXEN-VIFPVBQESA-N 0 0 416.312 2.546 20 5 HFBDRN Cc1sccc1CC(=O)OCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000787860477 1076984014 /nfs/dbraw/zinc/98/40/14/1076984014.db2.gz ALLUHAWJNNEBRX-UHFFFAOYSA-N 0 0 406.416 2.850 20 5 HFBDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000787912563 1076992395 /nfs/dbraw/zinc/99/23/95/1076992395.db2.gz PKPCWJYMKLIBIK-SNVBAGLBSA-N 0 0 413.393 2.675 20 5 HFBDRN O=C(Nc1cccc(-n2cccc2)c1)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787917133 1076995314 /nfs/dbraw/zinc/99/53/14/1076995314.db2.gz PMCQOEMKQKQIOJ-UHFFFAOYSA-N 0 0 406.398 2.614 20 5 HFBDRN C[C@H](OC(=O)c1nn(-c2ccc(F)cc2)cc1O)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000787954999 1077007873 /nfs/dbraw/zinc/00/78/73/1077007873.db2.gz IRDQSCAWJFKXSP-NSHDSACASA-N 0 0 414.349 2.809 20 5 HFBDRN Cn1cc(C(=O)O[C@H]2CCCN(Cc3ncccn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000788064406 1077047790 /nfs/dbraw/zinc/04/77/90/1077047790.db2.gz CVVHDTOEZUBZQB-KRWDZBQOSA-N 0 0 422.445 2.607 20 5 HFBDRN C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000788099817 1077048481 /nfs/dbraw/zinc/04/84/81/1077048481.db2.gz PPBPAJLPYAUABV-MRXNPFEDSA-N 0 0 405.208 2.720 20 5 HFBDRN CC(C)(C)C(=O)NCCC(=O)Nc1ccc([N+](=O)[O-])c(I)c1 ZINC000788107600 1077049903 /nfs/dbraw/zinc/04/99/03/1077049903.db2.gz HPXFNMXWPLQVQM-UHFFFAOYSA-N 0 0 419.219 2.690 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)N1CCc2ccccc21 ZINC000788141018 1077063673 /nfs/dbraw/zinc/06/36/73/1077063673.db2.gz DGWZVGAGQUVXSN-ZIAGYGMSSA-N 0 0 413.430 2.925 20 5 HFBDRN O=[N+]([O-])c1cccc([C@@H](O)Cn2nnnc2Cc2ccc(Br)cc2)c1 ZINC000788424882 1077141754 /nfs/dbraw/zinc/14/17/54/1077141754.db2.gz CQXCIMUBSCBHDB-HNNXBMFYSA-N 0 0 404.224 2.668 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000788416064 1077157747 /nfs/dbraw/zinc/15/77/47/1077157747.db2.gz JQGSORRBALANHC-KRWDZBQOSA-N 0 0 409.851 2.718 20 5 HFBDRN Cc1cc(S(=O)(=O)N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c(C)s1 ZINC000788494911 1077180795 /nfs/dbraw/zinc/18/07/95/1077180795.db2.gz VPWGETMZZNNIIS-UHFFFAOYSA-N 0 0 413.496 2.919 20 5 HFBDRN CCn1cccc(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1=O ZINC000788555101 1077199668 /nfs/dbraw/zinc/19/96/68/1077199668.db2.gz NYGQCQMIFUMUBF-UHFFFAOYSA-N 0 0 405.354 2.682 20 5 HFBDRN CC(C)(C)OC(=O)NC1(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])CCCCC1 ZINC000746749850 1077203835 /nfs/dbraw/zinc/20/38/35/1077203835.db2.gz WMAPZGWQFCTUPE-UHFFFAOYSA-N 0 0 421.450 2.965 20 5 HFBDRN CCC(O)(CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1I ZINC000788571762 1077209620 /nfs/dbraw/zinc/20/96/20/1077209620.db2.gz QFKIHLRBKAMHMI-UHFFFAOYSA-N 0 0 406.220 2.870 20 5 HFBDRN CCOC(=O)c1cc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000788589028 1077214350 /nfs/dbraw/zinc/21/43/50/1077214350.db2.gz FOXPWTKIPOMLQG-OGHNNQOOSA-N 0 0 406.435 2.869 20 5 HFBDRN COC(=O)c1sc(S(=O)(=O)NCc2cccc([N+](=O)[O-])c2)c(C)c1Cl ZINC000788606177 1077221337 /nfs/dbraw/zinc/22/13/37/1077221337.db2.gz DTBJGUHDNGERCC-UHFFFAOYSA-N 0 0 404.853 2.883 20 5 HFBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cccc(C=O)c1 ZINC000746752874 1077225622 /nfs/dbraw/zinc/22/56/22/1077225622.db2.gz LLJQQACCRKXZCB-CHWSQXEVSA-N 0 0 416.386 2.754 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1OC ZINC000790926500 1077234641 /nfs/dbraw/zinc/23/46/41/1077234641.db2.gz ZCMNIIUUANCSNT-UHFFFAOYSA-N 0 0 418.383 2.706 20 5 HFBDRN CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000790903344 1077242971 /nfs/dbraw/zinc/24/29/71/1077242971.db2.gz ACAFYOXZRUPGMS-XFXZXTDPSA-N 0 0 417.487 2.752 20 5 HFBDRN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790906785 1077244539 /nfs/dbraw/zinc/24/45/39/1077244539.db2.gz DREMXANPMZYADM-YMTOWFKASA-N 0 0 403.863 2.746 20 5 HFBDRN C[C@](O)(CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000790908271 1077244794 /nfs/dbraw/zinc/24/47/94/1077244794.db2.gz GJPXKXOJLPQGAW-HNNXBMFYSA-N 0 0 421.313 2.967 20 5 HFBDRN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790912006 1077246636 /nfs/dbraw/zinc/24/66/36/1077246636.db2.gz LDBVVYQLHMVSET-MEBBXXQBSA-N 0 0 417.890 2.992 20 5 HFBDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000790917268 1077249163 /nfs/dbraw/zinc/24/91/63/1077249163.db2.gz ZAWSUGZJRLZKHY-OAHLLOKOSA-N 0 0 410.423 2.511 20 5 HFBDRN CO[C@H]1CCOc2c(NC(=O)C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)cccc21 ZINC000790946894 1077251662 /nfs/dbraw/zinc/25/16/62/1077251662.db2.gz SWJNDLUSVCPWAS-INIZCTEOSA-N 0 0 419.821 2.973 20 5 HFBDRN O=C1OCCN1c1ccc(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000788706808 1077265937 /nfs/dbraw/zinc/26/59/37/1077265937.db2.gz OECVKAVMXOTTJH-LSDHHAIUSA-N 0 0 421.406 2.525 20 5 HFBDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000788706865 1077265954 /nfs/dbraw/zinc/26/59/54/1077265954.db2.gz OAVJGYQLYIAKTK-CYBMUJFWSA-N 0 0 405.432 2.933 20 5 HFBDRN Cc1c(CNC(=O)C(F)(F)c2ccc(OCC(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000791020350 1077274093 /nfs/dbraw/zinc/27/40/93/1077274093.db2.gz HBIFDEATPRKNII-UHFFFAOYSA-N 0 0 421.400 2.778 20 5 HFBDRN COCc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c1 ZINC000746959127 1077280217 /nfs/dbraw/zinc/28/02/17/1077280217.db2.gz GHEQLVACFGLAQX-UHFFFAOYSA-N 0 0 415.431 2.773 20 5 HFBDRN Cc1c([N+](=O)[O-])cc(C(=O)NCc2nnc3ccc(C(F)(F)F)cn32)cc1[N+](=O)[O-] ZINC000791086189 1077281300 /nfs/dbraw/zinc/28/13/00/1077281300.db2.gz ORSYHINZTDNUNP-UHFFFAOYSA-N 0 0 424.295 2.803 20 5 HFBDRN CCOC(=O)[C@H]1[C@H](NCc2cc([N+](=O)[O-])ccc2OC)CCN1C(=O)OC(C)(C)C ZINC000788738900 1077286116 /nfs/dbraw/zinc/28/61/16/1077286116.db2.gz MCQMDHHPLJUOLG-NVXWUHKLSA-N 0 0 423.466 2.634 20 5 HFBDRN CS(=O)(=O)Nc1ccccc1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000791123448 1077293763 /nfs/dbraw/zinc/29/37/63/1077293763.db2.gz NPBCCLGNOMCPAN-UHFFFAOYSA-N 0 0 401.803 2.940 20 5 HFBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000746973413 1077302897 /nfs/dbraw/zinc/30/28/97/1077302897.db2.gz QGWFAOKCHOQEEQ-CQSZACIVSA-N 0 0 414.436 2.692 20 5 HFBDRN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])cn1 ZINC000791140349 1077305145 /nfs/dbraw/zinc/30/51/45/1077305145.db2.gz OKVXSHJQYKZBBS-CYBMUJFWSA-N 0 0 408.817 2.927 20 5 HFBDRN Cc1c(C(=O)OCc2ccc([N+](=O)[O-])cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000746980902 1077307319 /nfs/dbraw/zinc/30/73/19/1077307319.db2.gz BZILCBMTGIKKLO-UHFFFAOYSA-N 0 0 401.310 2.888 20 5 HFBDRN CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000791156849 1077311129 /nfs/dbraw/zinc/31/11/29/1077311129.db2.gz GMPHZRZJYDEPQO-UHFFFAOYSA-N 0 0 423.878 2.697 20 5 HFBDRN CCN(C)C(=O)[C@H](C)Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] ZINC000788864921 1077324165 /nfs/dbraw/zinc/32/41/65/1077324165.db2.gz JODILHLKTBKWRY-ZETCQYMHSA-N 0 0 405.205 2.553 20 5 HFBDRN CCN(C)C(=O)[C@@H](C)Nc1cc([N+](=O)[O-])c(OC)c(Br)c1[N+](=O)[O-] ZINC000788864920 1077324254 /nfs/dbraw/zinc/32/42/54/1077324254.db2.gz JODILHLKTBKWRY-SSDOTTSWSA-N 0 0 405.205 2.553 20 5 HFBDRN CCN(CC)C(=O)CCC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000791172823 1077327180 /nfs/dbraw/zinc/32/71/80/1077327180.db2.gz QAYSCMKORWLIGP-UHFFFAOYSA-N 0 0 412.284 2.891 20 5 HFBDRN COc1cc(CN2C(=O)c3ccccc3S2(=O)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000791223969 1077334785 /nfs/dbraw/zinc/33/47/85/1077334785.db2.gz SROWGCJRWCRPAF-UHFFFAOYSA-N 0 0 414.342 2.550 20 5 HFBDRN CC(C)[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)N1CCCC1=O ZINC000791234588 1077339412 /nfs/dbraw/zinc/33/94/12/1077339412.db2.gz NBXUEKQNXQKXLL-QGZVFWFLSA-N 0 0 424.295 2.889 20 5 HFBDRN Cc1ccc(CN(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nc1 ZINC000788929179 1077339731 /nfs/dbraw/zinc/33/97/31/1077339731.db2.gz HYXHTBUTRZRIOD-UHFFFAOYSA-N 0 0 400.254 2.881 20 5 HFBDRN Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)OCc3ccc([N+](=O)[O-])cc3F)cc12 ZINC000746990596 1077347587 /nfs/dbraw/zinc/34/75/87/1077347587.db2.gz SRWYDDGENQRYOO-JTQLQIEISA-N 0 0 420.422 2.852 20 5 HFBDRN CSc1ccc(C(=O)OCCN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000791251779 1077348796 /nfs/dbraw/zinc/34/87/96/1077348796.db2.gz CQERTWFSAPALAV-UHFFFAOYSA-N 0 0 424.500 2.935 20 5 HFBDRN CN([C@@H]1CCN(Cc2ccccc2)C1=O)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000788946999 1077357631 /nfs/dbraw/zinc/35/76/31/1077357631.db2.gz YBECKWJCFLBJLM-MRXNPFEDSA-N 0 0 423.878 2.670 20 5 HFBDRN Cc1cc(C)c(N2CC[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)C2=O)c(C)c1 ZINC000788951189 1077359793 /nfs/dbraw/zinc/35/97/93/1077359793.db2.gz YEOVRWLBZLRYRA-QGZVFWFLSA-N 0 0 417.487 2.912 20 5 HFBDRN CC[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000791295362 1077359969 /nfs/dbraw/zinc/35/99/69/1077359969.db2.gz JKOAXJOSBAOORH-ZDUSSCGKSA-N 0 0 400.815 2.642 20 5 HFBDRN COC(=O)C[C@@](C)(NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000788951045 1077360051 /nfs/dbraw/zinc/36/00/51/1077360051.db2.gz XFSMYOLHWWPSIF-OAHLLOKOSA-N 0 0 402.425 2.552 20 5 HFBDRN COC(=O)COc1ccc(CNCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000788969267 1077366239 /nfs/dbraw/zinc/36/62/39/1077366239.db2.gz VNIRKSDERUUBMY-UHFFFAOYSA-N 0 0 407.810 2.528 20 5 HFBDRN CS(=O)(=O)N(CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000791330051 1077375571 /nfs/dbraw/zinc/37/55/71/1077375571.db2.gz LZJAHFZWJXNBFW-UHFFFAOYSA-N 0 0 418.427 2.960 20 5 HFBDRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C2)nc1 ZINC000791332072 1077376535 /nfs/dbraw/zinc/37/65/35/1077376535.db2.gz YYSUPXUQVCJMRN-LBPRGKRZSA-N 0 0 401.398 2.510 20 5 HFBDRN CC[C@@]1(c2ccc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)cc2)CCC(=O)NC1=O ZINC000791332824 1077376818 /nfs/dbraw/zinc/37/68/18/1077376818.db2.gz RUCIZBLOPPXAFS-FQEVSTJZSA-N 0 0 414.393 2.653 20 5 HFBDRN C[C@H](CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)OCc1ccccc1 ZINC000789008516 1077382694 /nfs/dbraw/zinc/38/26/94/1077382694.db2.gz MRITWBQMODWAKV-CQSZACIVSA-N 0 0 412.398 2.729 20 5 HFBDRN CN(C)c1cc(F)c(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000791371384 1077385374 /nfs/dbraw/zinc/38/53/74/1077385374.db2.gz UQXNDRYREVWUPF-CQSZACIVSA-N 0 0 410.446 2.833 20 5 HFBDRN C[C@H](NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)C1(N2CCOCC2)CCCC1 ZINC000791374946 1077385903 /nfs/dbraw/zinc/38/59/03/1077385903.db2.gz WBRBPOKNZOJHEJ-AWEZNQCLSA-N 0 0 408.474 2.563 20 5 HFBDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000791384321 1077389447 /nfs/dbraw/zinc/38/94/47/1077389447.db2.gz HXUZYFHUHDPDEA-UHFFFAOYSA-N 0 0 400.341 2.918 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000791361610 1077393676 /nfs/dbraw/zinc/39/36/76/1077393676.db2.gz WZLBRDRKMLOKLT-DOTOQJQBSA-N 0 0 416.430 2.537 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)OC[C@@H]2CC3(CCC3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000791361614 1077393706 /nfs/dbraw/zinc/39/37/06/1077393706.db2.gz WZLBRDRKMLOKLT-RDJZCZTQSA-N 0 0 416.430 2.537 20 5 HFBDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000791361612 1077393776 /nfs/dbraw/zinc/39/37/76/1077393776.db2.gz 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O=C(CN1CCO[C@@H](COc2ccccc2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000792377218 1077843717 /nfs/dbraw/zinc/84/37/17/1077843717.db2.gz NGJOCPWWXPOKTC-MRXNPFEDSA-N 0 0 405.838 2.967 20 5 HFBDRN CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1N1CCOCC1 ZINC000789893442 1077852350 /nfs/dbraw/zinc/85/23/50/1077852350.db2.gz YNGDAIWMXZOJRH-UHFFFAOYSA-N 0 0 422.467 2.879 20 5 HFBDRN CCOC(=O)c1cccc([N+](=O)[O-])c1N(C(=N)N)c1ccc(N2CCOCC2)cc1 ZINC001170166361 1077863967 /nfs/dbraw/zinc/86/39/67/1077863967.db2.gz HITYLGZBSGQSAW-UHFFFAOYSA-N 0 0 413.434 2.640 20 5 HFBDRN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)c1nccs1 ZINC000792473378 1077873197 /nfs/dbraw/zinc/87/31/97/1077873197.db2.gz DPCZWRVMCAOCBE-UHFFFAOYSA-N 0 0 414.237 2.942 20 5 HFBDRN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCCC[C@H]1CN1CCOCC1 ZINC000772797729 1077902435 /nfs/dbraw/zinc/90/24/35/1077902435.db2.gz JBERGQKFUFNEQY-HOCLYGCPSA-N 0 0 410.902 2.762 20 5 HFBDRN O=[N+]([O-])c1cccc([C@@H](O)CS(=O)(=O)Cc2ccn(-c3ccc(F)cc3F)n2)c1 ZINC000792567975 1077906753 /nfs/dbraw/zinc/90/67/53/1077906753.db2.gz RDZCQECXCCTVFN-SFHVURJKSA-N 0 0 423.397 2.707 20 5 HFBDRN Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1Nc1[nH]c(=O)nc2[nH]c(=O)[nH]c21 ZINC001170217480 1077909804 /nfs/dbraw/zinc/90/98/04/1077909804.db2.gz RVBVABRQBAZUDR-UHFFFAOYSA-N 0 0 414.769 2.786 20 5 HFBDRN COCn1nccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cc1ccccc1 ZINC000790008240 1077910647 /nfs/dbraw/zinc/91/06/47/1077910647.db2.gz JMYNLRGUEBHJMV-UHFFFAOYSA-N 0 0 403.416 2.754 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000790020308 1077916262 /nfs/dbraw/zinc/91/62/62/1077916262.db2.gz KWRITDBOVBFTSV-LBPRGKRZSA-N 0 0 418.313 2.523 20 5 HFBDRN C[C@@H](OC(=O)[C@@H]1CCCCN1Cc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000790075906 1077923849 /nfs/dbraw/zinc/92/38/49/1077923849.db2.gz LHZFQKXCOAWMMS-BEFAXECRSA-N 0 0 412.446 2.915 20 5 HFBDRN C[C@H](OC(=O)[C@H]1CCCCN1Cc1ccccn1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000790075908 1077923887 /nfs/dbraw/zinc/92/38/87/1077923887.db2.gz LHZFQKXCOAWMMS-HNAYVOBHSA-N 0 0 412.446 2.915 20 5 HFBDRN O=C(COC(=O)[C@@H]1CCCCN1Cc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000790075959 1077924060 /nfs/dbraw/zinc/92/40/60/1077924060.db2.gz MRPYAMKGZHBGII-KRWDZBQOSA-N 0 0 416.409 2.665 20 5 HFBDRN CCc1[nH]nc(C(=O)OCC(=O)Nc2ccc(C)cc2Br)c1[N+](=O)[O-] ZINC000790078279 1077924625 /nfs/dbraw/zinc/92/46/25/1077924625.db2.gz VANOIRKFYOHETH-UHFFFAOYSA-N 0 0 411.212 2.747 20 5 HFBDRN COc1ccc(OC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1[N+](=O)[O-] ZINC000792590881 1077925299 /nfs/dbraw/zinc/92/52/99/1077925299.db2.gz TUAXMIAHAOZJLU-UHFFFAOYSA-N 0 0 401.343 2.748 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](CCO)c1ccco1 ZINC000790051153 1077931489 /nfs/dbraw/zinc/93/14/89/1077931489.db2.gz LAJBYQFMRJJJDA-NSHDSACASA-N 0 0 419.253 2.661 20 5 HFBDRN COc1ccc(C[C@@H](C)Nc2cc(=O)n(C)c(=O)n2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC001170321378 1077943067 /nfs/dbraw/zinc/94/30/67/1077943067.db2.gz BDUKOXMPTMEZPK-OAHLLOKOSA-N 0 0 424.457 2.555 20 5 HFBDRN CCOC[C@@H]1CN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])Cc2nnn(CC)c21 ZINC001170338416 1077952004 /nfs/dbraw/zinc/95/20/04/1077952004.db2.gz AKUIZEROMFERDH-HOCLYGCPSA-N 0 0 403.483 2.782 20 5 HFBDRN CC(=O)N1CCc2ccc(S(=O)(=O)Oc3ccc(C)cc3[N+](=O)[O-])cc2CC1 ZINC000790133475 1077952902 /nfs/dbraw/zinc/95/29/02/1077952902.db2.gz CWPMYLVBVJIVHW-UHFFFAOYSA-N 0 0 404.444 2.618 20 5 HFBDRN COc1ccc(C[C@H](C)N2CC3(C2)CCN(C(=O)c2cccnc2)C3)c([N+](=O)[O-])c1 ZINC001170341310 1077953122 /nfs/dbraw/zinc/95/31/22/1077953122.db2.gz INHVVULNAROPNI-INIZCTEOSA-N 0 0 410.474 2.778 20 5 HFBDRN COc1cc(COC(=O)[C@@]2(C)CCN(C(C)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000747083198 1077954611 /nfs/dbraw/zinc/95/46/11/1077954611.db2.gz DVVMNHQWHSPYIO-KRWDZBQOSA-N 0 0 402.350 2.507 20 5 HFBDRN COc1ccc(C[C@@H](C)N2CCN(S(=O)(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170348539 1077955340 /nfs/dbraw/zinc/95/53/40/1077955340.db2.gz YEGQGLSFFUEHCS-MRXNPFEDSA-N 0 0 419.503 2.541 20 5 HFBDRN CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)c3cc(F)ccc3[N+](=O)[O-])c2)n1 ZINC000790156935 1077960905 /nfs/dbraw/zinc/96/09/05/1077960905.db2.gz BJKFKUIDJNZXIR-UHFFFAOYSA-N 0 0 413.365 2.626 20 5 HFBDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)cn1 ZINC000792712791 1077972262 /nfs/dbraw/zinc/97/22/62/1077972262.db2.gz GLPNIOSDMHDXRH-DEXQXJORSA-N 0 0 422.898 2.577 20 5 HFBDRN COc1cc(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000790233834 1077981970 /nfs/dbraw/zinc/98/19/70/1077981970.db2.gz DKQRQTBDYKUFDG-UHFFFAOYSA-N 0 0 419.390 2.810 20 5 HFBDRN CC(C)(C)OC(=O)N[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000790265494 1077990241 /nfs/dbraw/zinc/99/02/41/1077990241.db2.gz AQHUJIDPIQTVCF-MRXNPFEDSA-N 0 0 406.483 2.530 20 5 HFBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000790272243 1077992979 /nfs/dbraw/zinc/99/29/79/1077992979.db2.gz UOGWXRXZQYJNFB-MEDUHNTESA-N 0 0 408.842 2.718 20 5 HFBDRN CC(C)OC(=O)N1CCC(Nc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000790273667 1077993151 /nfs/dbraw/zinc/99/31/51/1077993151.db2.gz ZKBAHYRWCLJISL-UHFFFAOYSA-N 0 0 406.483 2.848 20 5 HFBDRN COC(=O)c1ccc(OS(=O)(=O)c2c(C)n(C)c3ccccc32)cc1[N+](=O)[O-] ZINC000790274343 1077993710 /nfs/dbraw/zinc/99/37/10/1077993710.db2.gz MJYNMCIWLRTHPT-UHFFFAOYSA-N 0 0 404.400 2.949 20 5 HFBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NCCNC(=O)c2ccc(Br)cc2)c1F ZINC000790329272 1077998112 /nfs/dbraw/zinc/99/81/12/1077998112.db2.gz ZEDVVGRROYAZHF-UHFFFAOYSA-N 0 0 424.226 2.965 20 5 HFBDRN Cc1cc(CS(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)on1 ZINC000790364983 1078000998 /nfs/dbraw/zinc/00/09/98/1078000998.db2.gz CQMAMOIQFCOUOE-UHFFFAOYSA-N 0 0 416.253 2.542 20 5 HFBDRN CN(CC(=O)OCc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000746896902 1078006886 /nfs/dbraw/zinc/00/68/86/1078006886.db2.gz QSSVVDWOIVFTAK-UHFFFAOYSA-N 0 0 416.814 2.751 20 5 HFBDRN CC1CCN(S(=O)(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC1 ZINC000790366773 1078015395 /nfs/dbraw/zinc/01/53/95/1078015395.db2.gz GDQJUQIRXQDYBK-UHFFFAOYSA-N 0 0 418.313 2.692 20 5 HFBDRN Cc1cc(S(=O)(=O)Nc2cc(Br)c[nH]c2=O)cc([N+](=O)[O-])c1F ZINC000790403537 1078018823 /nfs/dbraw/zinc/01/88/23/1078018823.db2.gz LXYAUJMXFTZYHT-UHFFFAOYSA-N 0 0 406.189 2.706 20 5 HFBDRN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2[C@H]2CCCO2)cc1Br ZINC000790404557 1078019138 /nfs/dbraw/zinc/01/91/38/1078019138.db2.gz RXEPZNBUJOSRKI-ZIAGYGMSSA-N 0 0 405.270 2.689 20 5 HFBDRN O=[N+]([O-])c1ccc(Br)c2c1CN(C[C@H]1CCCS(=O)(=O)C1)CC2 ZINC000792900533 1078019226 /nfs/dbraw/zinc/01/92/26/1078019226.db2.gz XIEQNEYLHLHWAP-LLVKDONJSA-N 0 0 403.298 2.540 20 5 HFBDRN COC(=O)C1=C(C)O[C@H](CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000792899293 1078019294 /nfs/dbraw/zinc/01/92/94/1078019294.db2.gz RSPATSSFBPTASF-NSHDSACASA-N 0 0 411.252 2.951 20 5 HFBDRN Cc1n[nH]cc1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000790421565 1078022479 /nfs/dbraw/zinc/02/24/79/1078022479.db2.gz RLXLALIBMUAFJZ-UHFFFAOYSA-N 0 0 423.451 2.720 20 5 HFBDRN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1[C@H]1CCCO1 ZINC000790401376 1078026547 /nfs/dbraw/zinc/02/65/47/1078026547.db2.gz AZKRDIHBGOHIIR-GXTWGEPZSA-N 0 0 419.297 2.998 20 5 HFBDRN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2[C@H]2CCCO2)ccc1Br ZINC000790402377 1078026846 /nfs/dbraw/zinc/02/68/46/1078026846.db2.gz GSLJLAQKNISRHQ-GXTWGEPZSA-N 0 0 405.270 2.689 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000792952538 1078033605 /nfs/dbraw/zinc/03/36/05/1078033605.db2.gz JIMOSEOHKVSPJK-KRWDZBQOSA-N 0 0 403.410 2.820 20 5 HFBDRN CCOC(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000792958242 1078035520 /nfs/dbraw/zinc/03/55/20/1078035520.db2.gz ZZDALKLBBSPJBD-CYBMUJFWSA-N 0 0 405.451 2.633 20 5 HFBDRN CC(C)(C)[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCO1 ZINC000790454492 1078036738 /nfs/dbraw/zinc/03/67/38/1078036738.db2.gz DQQJJNQQLZUGOB-CYBMUJFWSA-N 0 0 407.286 2.793 20 5 HFBDRN Cc1cc(Cl)c(S(=O)(=O)N2C[C@H](C)OC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000790457899 1078037655 /nfs/dbraw/zinc/03/76/55/1078037655.db2.gz REHZCAPOEFLQNP-LBPRGKRZSA-N 0 0 404.872 2.515 20 5 HFBDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000790458337 1078037931 /nfs/dbraw/zinc/03/79/31/1078037931.db2.gz SFEMDLBKTCRGFW-OZVIIMIRSA-N 0 0 404.872 2.514 20 5 HFBDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000790474834 1078039549 /nfs/dbraw/zinc/03/95/49/1078039549.db2.gz YKZDCWRWMDFUCW-INIZCTEOSA-N 0 0 421.856 2.947 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H](O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000792991923 1078042965 /nfs/dbraw/zinc/04/29/65/1078042965.db2.gz HLYMWXNEIRGQMQ-INIZCTEOSA-N 0 0 421.400 2.959 20 5 HFBDRN CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000792991966 1078042975 /nfs/dbraw/zinc/04/29/75/1078042975.db2.gz ICHALPGLEDTIEV-LJQANCHMSA-N 0 0 405.476 2.916 20 5 HFBDRN CC[C@@H]1CN(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C[C@@H](C)S1(=O)=O ZINC000806366945 1079653432 /nfs/dbraw/zinc/65/34/32/1079653432.db2.gz GFVCJARHSIRUPW-MWLCHTKSSA-N 0 0 420.285 2.787 20 5 HFBDRN COC(=O)[C@H](NC(=O)c1cc2ccccc2c([N+](=O)[O-])c1N)[C@@H]1CCC[C@H](OC)C1 ZINC001130630436 1079710242 /nfs/dbraw/zinc/71/02/42/1079710242.db2.gz AQTFPPNYICNHEX-QWQRMKEZSA-N 0 0 415.446 2.807 20 5 HFBDRN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CCOC1 ZINC001130641620 1079762303 /nfs/dbraw/zinc/76/23/03/1079762303.db2.gz XHCNSMMTPFKTAH-HXUWFJFHSA-N 0 0 401.419 2.561 20 5 HFBDRN Cn1[nH]cc2c(=NC(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccnc1-2 ZINC000806482368 1079767449 /nfs/dbraw/zinc/76/74/49/1079767449.db2.gz ORJRVLSBZKFJQV-UHFFFAOYSA-N 0 0 423.355 2.502 20 5 HFBDRN CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000806776525 1079994357 /nfs/dbraw/zinc/99/43/57/1079994357.db2.gz MGRUYRNDPTZRNN-MRXNPFEDSA-N 0 0 408.455 2.674 20 5 HFBDRN Cc1cncc(Br)c1NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001130794655 1080125428 /nfs/dbraw/zinc/12/54/28/1080125428.db2.gz QLLBSDIBXHDLON-UHFFFAOYSA-N 0 0 409.196 2.962 20 5 HFBDRN COc1ccc(N2C[C@H](NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2=O)cc1 ZINC001130788795 1080145611 /nfs/dbraw/zinc/14/56/11/1080145611.db2.gz LJIKFQKQNWMKRJ-CYBMUJFWSA-N 0 0 406.398 2.687 20 5 HFBDRN CCOc1cc(NC(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)ccc1[N+](=O)[O-] ZINC001130799263 1080186018 /nfs/dbraw/zinc/18/60/18/1080186018.db2.gz YUZJQWHJFUERTN-QGZVFWFLSA-N 0 0 414.397 2.850 20 5 HFBDRN CC(=O)NCc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC001130822735 1080203230 /nfs/dbraw/zinc/20/32/30/1080203230.db2.gz KWGLHFMUECNJOA-LBPRGKRZSA-N 0 0 405.838 2.968 20 5 HFBDRN COC(=O)[C@H](c1cccc(OC)c1)N(C)C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001130829868 1080244111 /nfs/dbraw/zinc/24/41/11/1080244111.db2.gz ZVPWIBYHWYYYJU-SFHVURJKSA-N 0 0 402.403 2.907 20 5 HFBDRN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)N(C)CC(=O)Nc2cc(C)ccn2)c1 ZINC001130892674 1080420623 /nfs/dbraw/zinc/42/06/23/1080420623.db2.gz LHEFRFHIRIBSAA-UHFFFAOYSA-N 0 0 422.445 2.562 20 5 HFBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000807298206 1080491670 /nfs/dbraw/zinc/49/16/70/1080491670.db2.gz YRDUPOGHMYKFSB-UHFFFAOYSA-N 0 0 400.391 2.759 20 5 HFBDRN COC(=O)Nc1cccc(NC(=O)C(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000807297361 1080493513 /nfs/dbraw/zinc/49/35/13/1080493513.db2.gz BEUKXNNRUQKFGD-UHFFFAOYSA-N 0 0 414.418 2.721 20 5 HFBDRN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000807361955 1080523025 /nfs/dbraw/zinc/52/30/25/1080523025.db2.gz HXZGEPPPXANUCG-UHFFFAOYSA-N 0 0 414.846 2.606 20 5 HFBDRN CC(=O)NCC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000807515241 1080725186 /nfs/dbraw/zinc/72/51/86/1080725186.db2.gz BBLRPQZOXPZDGS-HNNXBMFYSA-N 0 0 418.494 2.596 20 5 HFBDRN