smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000769829234 1078591855 /nfs/dbraw/zinc/59/18/55/1078591855.db2.gz LSZKTWURYGPZQH-AWEZNQCLSA-N 0 3 414.384 2.155 20 5 HEBDHN Cc1cccc(CN2CCO[C@H]3CN([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027446 1079102279 /nfs/dbraw/zinc/10/22/79/1079102279.db2.gz PRVUUCNXVILYDF-NCYKPQTJSA-N 0 3 401.507 2.490 20 5 HEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000744399280 1077373521 /nfs/dbraw/zinc/37/35/21/1077373521.db2.gz IGJBPAHJLWHBIS-JOCHJYFZSA-N 0 3 412.490 2.458 20 5 HEBDHN COC(=O)COc1ccc(CN[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000785581545 1080060159 /nfs/dbraw/zinc/06/01/59/1080060159.db2.gz JPZWALLHVCBYGY-YUNKPMOVSA-N 0 3 418.402 2.087 20 5 HEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451069 1081083609 /nfs/dbraw/zinc/08/36/09/1081083609.db2.gz JDWWGULEHZUVMX-RISCZKNCSA-N 0 3 418.313 2.462 20 5 HEBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900314 721515281 /nfs/dbraw/zinc/51/52/81/721515281.db2.gz QBUZATZXJRHPRR-NVXWUHKLSA-N 0 3 416.409 2.257 20 5 HEBDHN O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC(O)(c3ccccc3C(F)(F)F)CC2)c1 ZINC000769829235 1078591656 /nfs/dbraw/zinc/59/16/56/1078591656.db2.gz LSZKTWURYGPZQH-CQSZACIVSA-N 0 3 414.384 2.155 20 5 HEBDHN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@]2(CCCC(=O)N2)C1 ZINC001169011291 1079099103 /nfs/dbraw/zinc/09/91/03/1079099103.db2.gz JJCLNPBPNYDGOB-JXXFODFXSA-N 0 3 410.515 2.023 20 5 HEBDHN CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCCN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018065 1079111202 /nfs/dbraw/zinc/11/12/02/1079111202.db2.gz BIXJYPKVNBEPLK-YRISNDGFSA-N 0 3 415.494 2.096 20 5 HEBDHN COc1ccc(CN2CCO[C@H]3CN([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026673 1079114017 /nfs/dbraw/zinc/11/40/17/1079114017.db2.gz YNLQTNTYKCYIKJ-JYRKZWEQSA-N 0 3 417.506 2.190 20 5 HEBDHN COc1ccc(CN2CCO[C@H]3CN([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026675 1079114125 /nfs/dbraw/zinc/11/41/25/1079114125.db2.gz YNLQTNTYKCYIKJ-UKAVVXHISA-N 0 3 417.506 2.190 20 5 HEBDHN CCN1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742286375 1076816560 /nfs/dbraw/zinc/81/65/60/1076816560.db2.gz OORDOKXYFCAAKK-NSHDSACASA-N 0 3 406.302 2.368 20 5 HEBDHN CN(CC1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742291206 1076818912 /nfs/dbraw/zinc/81/89/12/1076818912.db2.gz ZGZPQTJUIQSJAE-UHFFFAOYSA-N 0 3 406.302 2.320 20 5 HEBDHN CCOC(=O)C1CCN(C2CCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC001164614110 719023920 /nfs/dbraw/zinc/02/39/20/719023920.db2.gz NLSBRSAIHAWMGG-UHFFFAOYSA-N 0 3 407.427 2.142 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CC2 ZINC001164690051 719748329 /nfs/dbraw/zinc/74/83/29/719748329.db2.gz RDZXWLYGAGOQNI-UHFFFAOYSA-N 0 3 410.478 2.233 20 5 HEBDHN O=[N+]([O-])c1ccc2ncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867533 721057003 /nfs/dbraw/zinc/05/70/03/721057003.db2.gz JNQDSDHRQDQFSN-ROUUACIJSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C\c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164769491 721192902 /nfs/dbraw/zinc/19/29/02/721192902.db2.gz MNZVUAZLENQURM-QKJYYDANSA-N 0 3 411.510 2.214 20 5 HEBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900315 721515572 /nfs/dbraw/zinc/51/55/72/721515572.db2.gz QBUZATZXJRHPRR-RDJZCZTQSA-N 0 3 416.409 2.257 20 5 HEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304426 1076813053 /nfs/dbraw/zinc/81/30/53/1076813053.db2.gz HBJAGMAPOHVGRI-MFKMUULPSA-N 0 3 406.302 2.318 20 5 HEBDHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297052 1076820943 /nfs/dbraw/zinc/82/09/43/1076820943.db2.gz UTWKXIRPIZDXII-NSHDSACASA-N 0 3 406.302 2.320 20 5 HEBDHN COC(=O)C1CCN(CCCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CC1 ZINC000742393369 1076833732 /nfs/dbraw/zinc/83/37/32/1076833732.db2.gz BSEWBUXYTOUTNY-UHFFFAOYSA-N 0 3 406.439 2.238 20 5 HEBDHN Cc1c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743766444 1077119262 /nfs/dbraw/zinc/11/92/62/1077119262.db2.gz XOMSYXVEJZACIF-FQEVSTJZSA-N 0 3 414.418 2.178 20 5 HEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000786813140 1080840092 /nfs/dbraw/zinc/84/00/92/1080840092.db2.gz KQYJFDKTUBCUIM-SDNWHVSQSA-N 0 3 420.447 2.474 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)CC2 ZINC001164690813 719756920 /nfs/dbraw/zinc/75/69/20/719756920.db2.gz IPQDBNGZTDVFAH-UHFFFAOYSA-N 0 3 418.885 2.372 20 5 HEBDHN O=[N+]([O-])c1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2c1 ZINC001164868347 721062461 /nfs/dbraw/zinc/06/24/61/721062461.db2.gz NZKJDMSGONYHIR-ZWKOTPCHSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C\c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871494 721138178 /nfs/dbraw/zinc/13/81/78/721138178.db2.gz DYXAYBAOFINKPQ-JZOYJOIISA-N 0 3 424.505 2.397 20 5 HEBDHN CC(C)Oc1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164764072 721214494 /nfs/dbraw/zinc/21/44/94/721214494.db2.gz GCYZUQLJAPOTRJ-SJORKVTESA-N 0 3 400.483 2.469 20 5 HEBDHN CCC[C@H]1CN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CCN1CCOC ZINC000766382350 1078932758 /nfs/dbraw/zinc/93/27/58/1078932758.db2.gz VAWIOFSNYDEZBX-SFHVURJKSA-N 0 3 417.510 2.246 20 5 HEBDHN CCC[C@@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CCN1CCOC ZINC000766375880 1078943566 /nfs/dbraw/zinc/94/35/66/1078943566.db2.gz MBPBCTZPSUBWLF-LJQANCHMSA-N 0 3 415.494 2.209 20 5 HEBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525397 1079323360 /nfs/dbraw/zinc/32/33/60/1079323360.db2.gz HBBFSZOHJZUARX-UZLBHIALSA-N 0 3 410.474 2.351 20 5 HEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742345344 1076831850 /nfs/dbraw/zinc/83/18/50/1076831850.db2.gz QHWBZENUKHQWPQ-LBPRGKRZSA-N 0 3 406.302 2.462 20 5 HEBDHN CCOc1cc([C@H](CS(C)(=O)=O)N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971367 1079094119 /nfs/dbraw/zinc/09/41/19/1079094119.db2.gz JSMGHSONKCDEJE-IMJJTQAJSA-N 0 3 400.497 2.215 20 5 HEBDHN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001169011292 1079099080 /nfs/dbraw/zinc/09/90/80/1079099080.db2.gz JJCLNPBPNYDGOB-QINHECLXSA-N 0 3 410.515 2.023 20 5 HEBDHN COc1cc2ncnc(N3CCN([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034516 1079105213 /nfs/dbraw/zinc/10/52/13/1079105213.db2.gz GWIGLWSZHDPZQZ-LSDHHAIUSA-N 0 3 401.467 2.214 20 5 HEBDHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934292 1079480707 /nfs/dbraw/zinc/48/07/07/1079480707.db2.gz ZKKGNRBAOXYKBA-HNAYVOBHSA-N 0 3 409.487 2.189 20 5 HEBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC(CCN4CCOCC4)CC3)n2)c1 ZINC000738110142 1075965747 /nfs/dbraw/zinc/96/57/47/1075965747.db2.gz BUGQWHTWMGOLFT-UHFFFAOYSA-N 0 3 400.483 2.245 20 5 HEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451619 1081084597 /nfs/dbraw/zinc/08/45/97/1081084597.db2.gz LXHLGRCTDSBFBW-BXUZGUMPSA-N 0 3 418.313 2.462 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)CC2 ZINC001164683117 719709364 /nfs/dbraw/zinc/70/93/64/719709364.db2.gz IOLUMYWMKHXDEE-UHFFFAOYSA-N 0 3 418.885 2.372 20 5 HEBDHN O=[N+]([O-])c1ccc2ncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867529 721056628 /nfs/dbraw/zinc/05/66/28/721056628.db2.gz JNQDSDHRQDQFSN-MSOLQXFVSA-N 0 3 406.446 2.413 20 5 HEBDHN CN1CCN(Cc2ccc(CNC(=O)COc3ccc([N+](=O)[O-])c(F)c3)cc2)CC1 ZINC000746236336 1078828426 /nfs/dbraw/zinc/82/84/26/1078828426.db2.gz YMABQBAWUBHZEA-UHFFFAOYSA-N 0 3 416.453 2.177 20 5 HEBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000770327376 1078829767 /nfs/dbraw/zinc/82/97/67/1078829767.db2.gz ZSFHDRUQJUBCEU-UHFFFAOYSA-N 0 3 406.302 2.213 20 5 HEBDHN Cc1cccc(CN2CC[C@H](NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)c1 ZINC001169150765 1079166515 /nfs/dbraw/zinc/16/65/15/1079166515.db2.gz VKVRVTHBERBDES-SFHVURJKSA-N 0 3 406.446 2.488 20 5 HEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771655626 1079426690 /nfs/dbraw/zinc/42/66/90/1079426690.db2.gz BQLLUGSLZAKBKM-LLVKDONJSA-N 0 3 417.279 2.252 20 5 HEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)cc1Br ZINC000742275246 1076808300 /nfs/dbraw/zinc/80/83/00/1076808300.db2.gz LOXKQSVSDCATSV-JTQLQIEISA-N 0 3 404.286 2.120 20 5 HEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000786811769 1080839391 /nfs/dbraw/zinc/83/93/91/1080839391.db2.gz BVMPAKNLICOTBN-UVTDQMKNSA-N 0 3 420.447 2.474 20 5 HEBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769532206 1081111786 /nfs/dbraw/zinc/11/17/86/1081111786.db2.gz IYSLJYYJZVFFKF-INIZCTEOSA-N 0 3 411.300 2.096 20 5 HEBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739878 720757063 /nfs/dbraw/zinc/75/70/63/720757063.db2.gz JFHJFGTZRNBQMC-MSOLQXFVSA-N 0 3 419.445 2.184 20 5 HEBDHN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032957 1079104291 /nfs/dbraw/zinc/10/42/91/1079104291.db2.gz AFOOGHNWDXKVNT-FUHWJXTLSA-N 0 3 418.519 2.377 20 5 HEBDHN O=C1[C@@H]2CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030348 1079102831 /nfs/dbraw/zinc/10/28/31/1079102831.db2.gz YYKZCGSIMJDKAW-FFGOWVMKSA-N 0 3 405.470 2.320 20 5 HEBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(CCN4CCOCC4)CC3)n2)cc1 ZINC000738111752 1075965725 /nfs/dbraw/zinc/96/57/25/1075965725.db2.gz PSLGXULZFUPAPC-UHFFFAOYSA-N 0 3 400.483 2.245 20 5 HEBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)c1 ZINC000742275235 1076808095 /nfs/dbraw/zinc/80/80/95/1076808095.db2.gz LGRIDUGLTQPUMY-SNVBAGLBSA-N 0 3 404.286 2.120 20 5 HEBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304425 1076813075 /nfs/dbraw/zinc/81/30/75/1076813075.db2.gz HBJAGMAPOHVGRI-GXFFZTMASA-N 0 3 406.302 2.318 20 5 HEBDHN C[C@@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000744801897 1077598624 /nfs/dbraw/zinc/59/86/24/1077598624.db2.gz QHFQZNCRICCPGE-SNVBAGLBSA-N 0 3 403.220 2.271 20 5 HEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451067 1081083549 /nfs/dbraw/zinc/08/35/49/1081083549.db2.gz JDWWGULEHZUVMX-BXUZGUMPSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451072 1081083630 /nfs/dbraw/zinc/08/36/30/1081083630.db2.gz JFPCAQYWIYFGID-AAEUAGOBSA-N 0 3 418.313 2.462 20 5 HEBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739881 720756398 /nfs/dbraw/zinc/75/63/98/720756398.db2.gz JFHJFGTZRNBQMC-ZWKOTPCHSA-N 0 3 419.445 2.184 20 5 HEBDHN CC(C)Oc1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764069 721213492 /nfs/dbraw/zinc/21/34/92/721213492.db2.gz GCYZUQLJAPOTRJ-IAGOWNOFSA-N 0 3 400.483 2.469 20 5 HEBDHN COc1cc(C(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001168792080 1078996714 /nfs/dbraw/zinc/99/67/14/1078996714.db2.gz QFPFRUMRRLJTCG-OAQYLSRUSA-N 0 3 417.437 2.452 20 5 HEBDHN CCOc1cc([C@@H](CS(C)(=O)=O)N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971370 1079094090 /nfs/dbraw/zinc/09/40/90/1079094090.db2.gz JSMGHSONKCDEJE-VNQPRFMTSA-N 0 3 400.497 2.215 20 5 HEBDHN CCOc1cc([C@H](CS(C)(=O)=O)N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971363 1079094107 /nfs/dbraw/zinc/09/41/07/1079094107.db2.gz JSMGHSONKCDEJE-BMFZPTHFSA-N 0 3 400.497 2.215 20 5 HEBDHN O=C1[C@@H]2CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030347 1079103010 /nfs/dbraw/zinc/10/30/10/1079103010.db2.gz YYKZCGSIMJDKAW-AFYVEPGGSA-N 0 3 405.470 2.320 20 5 HEBDHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771581740 1079380147 /nfs/dbraw/zinc/38/01/47/1079380147.db2.gz LRHMYTUOTIFCBM-LBPRGKRZSA-N 0 3 416.247 2.480 20 5 HEBDHN CCN1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742286374 1076816507 /nfs/dbraw/zinc/81/65/07/1076816507.db2.gz OORDOKXYFCAAKK-LLVKDONJSA-N 0 3 406.302 2.368 20 5 HEBDHN O=C(NCC1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1)OCc1ccccc1 ZINC000786110138 1080402781 /nfs/dbraw/zinc/40/27/81/1080402781.db2.gz LNHAAZHJPHOZBX-UHFFFAOYSA-N 0 3 414.462 2.395 20 5 HEBDHN O=C(CN1CCCC1)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769316584 1081040432 /nfs/dbraw/zinc/04/04/32/1081040432.db2.gz ITTXLUOGMKWCCW-UHFFFAOYSA-N 0 3 411.300 2.097 20 5 HEBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000787189189 1081055663 /nfs/dbraw/zinc/05/56/63/1081055663.db2.gz LZFZSZVEVPHOIS-HIFRSBDPSA-N 0 3 402.373 2.276 20 5 HEBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867643 721079157 /nfs/dbraw/zinc/07/91/57/721079157.db2.gz YZSBUUJNQUSQRT-QZTJIDSGSA-N 0 3 406.446 2.413 20 5 HEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000769692700 1078522401 /nfs/dbraw/zinc/52/24/01/1078522401.db2.gz SEATYKKLECTISH-KRWDZBQOSA-N 0 3 424.505 2.246 20 5 HEBDHN COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048718 1079115583 /nfs/dbraw/zinc/11/55/83/1079115583.db2.gz AWDHBWUHSRRASI-QOIOWGMHSA-N 0 3 411.499 2.306 20 5 HEBDHN O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)cc1Br ZINC000742275247 1076808262 /nfs/dbraw/zinc/80/82/62/1076808262.db2.gz LOXKQSVSDCATSV-SNVBAGLBSA-N 0 3 404.286 2.120 20 5 HEBDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594685 1077077799 /nfs/dbraw/zinc/07/77/99/1077077799.db2.gz VYPPTQWLTYGDLD-VQIMIIECSA-N 0 3 404.467 2.011 20 5 HEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000744399281 1077373423 /nfs/dbraw/zinc/37/34/23/1077373423.db2.gz IGJBPAHJLWHBIS-QFIPXVFZSA-N 0 3 412.490 2.458 20 5 HEBDHN O=C(CN1CCN(C2CCCCC2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000767040115 1079626153 /nfs/dbraw/zinc/62/61/53/1079626153.db2.gz XPZVXWRTSKAGEI-UHFFFAOYSA-N 0 3 415.538 2.194 20 5 HEBDHN CCN(CC)CC(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769317715 1081040764 /nfs/dbraw/zinc/04/07/64/1081040764.db2.gz WJVXPGREIUHPMD-UHFFFAOYSA-N 0 3 413.316 2.343 20 5 HEBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164745831 720781382 /nfs/dbraw/zinc/78/13/82/720781382.db2.gz VZCSTHNCECDEHT-CVEARBPZSA-N 0 3 419.445 2.184 20 5 HEBDHN COc1cc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767233 721138821 /nfs/dbraw/zinc/13/88/21/721138821.db2.gz LYUWKNAHIBNLPB-HZPDHXFCSA-N 0 3 423.477 2.238 20 5 HEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164873582 721177324 /nfs/dbraw/zinc/17/73/24/721177324.db2.gz IRZTWLSRZHRXMW-IRXDYDNUSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C/c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164769488 721192935 /nfs/dbraw/zinc/19/29/35/721192935.db2.gz MNZVUAZLENQURM-DPCDFWGDSA-N 0 3 411.510 2.214 20 5 HEBDHN Cc1cccc(CN2CCO[C@H]3CN([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027444 1079102337 /nfs/dbraw/zinc/10/23/37/1079102337.db2.gz PRVUUCNXVILYDF-BURNTYAHSA-N 0 3 401.507 2.490 20 5 HEBDHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934295 1079480806 /nfs/dbraw/zinc/48/08/06/1079480806.db2.gz ZKKGNRBAOXYKBA-KXBFYZLASA-N 0 3 409.487 2.189 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])CC2 ZINC001164684354 719710991 /nfs/dbraw/zinc/71/09/91/719710991.db2.gz PFVCSVLGCHMHFC-UHFFFAOYSA-N 0 3 418.885 2.372 20 5 HEBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900316 721515303 /nfs/dbraw/zinc/51/53/03/721515303.db2.gz QBUZATZXJRHPRR-WBVHZDCISA-N 0 3 416.409 2.257 20 5 HEBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032956 1079104324 /nfs/dbraw/zinc/10/43/24/1079104324.db2.gz AFOOGHNWDXKVNT-AEFFLSMTSA-N 0 3 418.519 2.377 20 5 HEBDHN O=C1NCCN(C(F)(F)c2cnc(Cl)c(-c3cccc([N+](=O)[O-])c3)c2)C12CNC2 ZINC001164413745 718879446 /nfs/dbraw/zinc/87/94/46/718879446.db2.gz MBIRJWIYDULJLV-UHFFFAOYSA-N 0 3 423.807 2.133 20 5 HEBDHN CCOC(=O)C1CCN(C2CCN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC001164617032 719027183 /nfs/dbraw/zinc/02/71/83/719027183.db2.gz JGFCDLDFNXMITH-UHFFFAOYSA-N 0 3 412.874 2.126 20 5 HEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865760 721080355 /nfs/dbraw/zinc/08/03/55/721080355.db2.gz PHARZTXLMPHNGJ-ROUUACIJSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C/c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164769495 721193188 /nfs/dbraw/zinc/19/31/88/721193188.db2.gz MNZVUAZLENQURM-RMSIBTEPSA-N 0 3 411.510 2.214 20 5 HEBDHN CN(C)C1(CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000743924496 1077248926 /nfs/dbraw/zinc/24/89/26/1077248926.db2.gz OXBYKBZTZHFIFW-UHFFFAOYSA-N 0 3 416.865 2.402 20 5 HEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451068 1081083685 /nfs/dbraw/zinc/08/36/85/1081083685.db2.gz JDWWGULEHZUVMX-FZMZJTMJSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451076 1081083695 /nfs/dbraw/zinc/08/36/95/1081083695.db2.gz JFPCAQYWIYFGID-WCQYABFASA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451597 1081084540 /nfs/dbraw/zinc/08/45/40/1081084540.db2.gz KKEIVDCCAFPVOJ-RISCZKNCSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451620 1081084712 /nfs/dbraw/zinc/08/47/12/1081084712.db2.gz LXHLGRCTDSBFBW-FZMZJTMJSA-N 0 3 418.313 2.462 20 5 HEBDHN CC1(C)OCc2cc(CNCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000769493039 1081095097 /nfs/dbraw/zinc/09/50/97/1081095097.db2.gz RJJDONARWYPLHO-UHFFFAOYSA-N 0 3 421.475 2.308 20 5 HEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865758 721080438 /nfs/dbraw/zinc/08/04/38/721080438.db2.gz PHARZTXLMPHNGJ-MSOLQXFVSA-N 0 3 406.446 2.413 20 5 HEBDHN CCOc1cc([C@H](CS(C)(=O)=O)N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971368 1079094124 /nfs/dbraw/zinc/09/41/24/1079094124.db2.gz JSMGHSONKCDEJE-KBMXLJTQSA-N 0 3 400.497 2.215 20 5 HEBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CCO)CCNC(=O)OC(C)(C)C ZINC001169080574 1079133216 /nfs/dbraw/zinc/13/32/16/1079133216.db2.gz VLTNRUBLDQPMGS-UHFFFAOYSA-N 0 3 410.471 2.051 20 5 HEBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537844 1079325421 /nfs/dbraw/zinc/32/54/21/1079325421.db2.gz BROMWJBXIYUKLZ-BEFAXECRSA-N 0 3 421.461 2.211 20 5 HEBDHN CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934289 1079481218 /nfs/dbraw/zinc/48/12/18/1079481218.db2.gz ZKKGNRBAOXYKBA-DNVCBOLYSA-N 0 3 409.487 2.189 20 5 HEBDHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345301 1076831860 /nfs/dbraw/zinc/83/18/60/1076831860.db2.gz OLOJCUNPTHZROC-NSHDSACASA-N 0 3 406.302 2.462 20 5 HEBDHN CC1(C)OCc2cc(CNCCNS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2O1 ZINC000768688254 1080747673 /nfs/dbraw/zinc/74/76/73/1080747673.db2.gz GJKNQLVOGFJPMT-UHFFFAOYSA-N 0 3 421.475 2.308 20 5 HEBDHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451596 1081085107 /nfs/dbraw/zinc/08/51/07/1081085107.db2.gz KKEIVDCCAFPVOJ-FZMZJTMJSA-N 0 3 418.313 2.462 20 5 HEBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164745832 720782039 /nfs/dbraw/zinc/78/20/39/720782039.db2.gz VZCSTHNCECDEHT-HOTGVXAUSA-N 0 3 419.445 2.184 20 5 HEBDHN COc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767235 721138053 /nfs/dbraw/zinc/13/80/53/721138053.db2.gz LYUWKNAHIBNLPB-JKSUJKDBSA-N 0 3 423.477 2.238 20 5 HEBDHN COc1cc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767229 721138651 /nfs/dbraw/zinc/13/86/51/721138651.db2.gz LYUWKNAHIBNLPB-CVEARBPZSA-N 0 3 423.477 2.238 20 5 HEBDHN CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCCN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018056 1079110792 /nfs/dbraw/zinc/11/07/92/1079110792.db2.gz BIXJYPKVNBEPLK-HGHGUNKESA-N 0 3 415.494 2.096 20 5 HEBDHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023957 1079112614 /nfs/dbraw/zinc/11/26/14/1079112614.db2.gz WDBXPAOGLKYARM-WRWLIDTKSA-N 0 3 404.442 2.108 20 5 HEBDHN COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048717 1079115483 /nfs/dbraw/zinc/11/54/83/1079115483.db2.gz AWDHBWUHSRRASI-NLDJYOPPSA-N 0 3 411.499 2.306 20 5 HEBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303890 1076812954 /nfs/dbraw/zinc/81/29/54/1076812954.db2.gz BTZOHHDQPAEQBD-MFKMUULPSA-N 0 3 406.302 2.318 20 5 HEBDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594683 1077077903 /nfs/dbraw/zinc/07/79/03/1077077903.db2.gz VYPPTQWLTYGDLD-QFBILLFUSA-N 0 3 404.467 2.011 20 5 HEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000786813137 1080840084 /nfs/dbraw/zinc/84/00/84/1080840084.db2.gz KQYJFDKTUBCUIM-KAMYIIQDSA-N 0 3 420.447 2.474 20 5 HEBDHN O=C(CCN1CCc2ccccc2C1)OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000786821443 1080844403 /nfs/dbraw/zinc/84/44/03/1080844403.db2.gz MMRSTUZFFYSAHL-UHFFFAOYSA-N 0 3 409.442 2.476 20 5 HEBDHN CCC[C@H]1CN(Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)CCN1CCOC ZINC000766375875 1078943319 /nfs/dbraw/zinc/94/33/19/1078943319.db2.gz MBPBCTZPSUBWLF-IBGZPJMESA-N 0 3 415.494 2.209 20 5 HEBDHN CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCCN([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169018053 1079110756 /nfs/dbraw/zinc/11/07/56/1079110756.db2.gz BIXJYPKVNBEPLK-DJPFJPOOSA-N 0 3 415.494 2.096 20 5 HEBDHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023955 1079112508 /nfs/dbraw/zinc/11/25/08/1079112508.db2.gz WDBXPAOGLKYARM-OXFYSEKESA-N 0 3 404.442 2.108 20 5 HEBDHN O=C(CN1CCCC1)N1CCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738161300 1075970728 /nfs/dbraw/zinc/97/07/28/1075970728.db2.gz PXGKHEVQPVRISR-UHFFFAOYSA-N 0 3 405.480 2.069 20 5 HEBDHN COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1CN([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169048716 1079115570 /nfs/dbraw/zinc/11/55/70/1079115570.db2.gz AWDHBWUHSRRASI-DICRZQGBSA-N 0 3 411.499 2.306 20 5 HEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326765 1075990982 /nfs/dbraw/zinc/99/09/82/1075990982.db2.gz RDPIZLVBWHBEDR-UHFFFAOYSA-N 0 3 408.499 2.458 20 5 HEBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000787189186 1081055737 /nfs/dbraw/zinc/05/57/37/1081055737.db2.gz LZFZSZVEVPHOIS-DZGCQCFKSA-N 0 3 402.373 2.276 20 5 HEBDHN CCOC(=O)C1CCN(C2CCN(c3nc(C(=O)OC)ccc3[N+](=O)[O-])CC2)CC1 ZINC001164618107 719035285 /nfs/dbraw/zinc/03/52/85/719035285.db2.gz SADGCNBCCRROBT-UHFFFAOYSA-N 0 3 420.466 2.020 20 5 HEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865761 721080979 /nfs/dbraw/zinc/08/09/79/721080979.db2.gz PHARZTXLMPHNGJ-ZWKOTPCHSA-N 0 3 406.446 2.413 20 5 HEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000770173634 1078769357 /nfs/dbraw/zinc/76/93/57/1078769357.db2.gz PWIUUSBWMSUCBJ-KRWDZBQOSA-N 0 3 403.527 2.341 20 5 HEBDHN CCOc1cc([C@@H](CS(C)(=O)=O)N[C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971365 1079094167 /nfs/dbraw/zinc/09/41/67/1079094167.db2.gz JSMGHSONKCDEJE-CWRNSKLLSA-N 0 3 400.497 2.215 20 5 HEBDHN CN(Cc1ccccn1)C(=O)C1=NO[C@@]2(C1)CCCN([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169018061 1079110771 /nfs/dbraw/zinc/11/07/71/1079110771.db2.gz BIXJYPKVNBEPLK-PLMTUMEDSA-N 0 3 415.494 2.096 20 5 HEBDHN O=C(CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000744407712 1077382511 /nfs/dbraw/zinc/38/25/11/1077382511.db2.gz PTNQPSLOOBFKNN-CQSZACIVSA-N 0 3 400.395 2.413 20 5 HEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000769451070 1081083621 /nfs/dbraw/zinc/08/36/21/1081083621.db2.gz JDWWGULEHZUVMX-SMDDNHRTSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451622 1081084512 /nfs/dbraw/zinc/08/45/12/1081084512.db2.gz LXHLGRCTDSBFBW-RISCZKNCSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769532713 1081113294 /nfs/dbraw/zinc/11/32/94/1081113294.db2.gz MCLRPJLQHIOYJA-OAHLLOKOSA-N 0 3 411.300 2.096 20 5 HEBDHN Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC2CCN(C3CC3)CC2)c(C)c1[N+](=O)[O-] ZINC000770424086 1078847003 /nfs/dbraw/zinc/84/70/03/1078847003.db2.gz JLARTBWUIQPRKQ-UHFFFAOYSA-N 0 3 412.468 2.273 20 5 HEBDHN COc1cc2ncnc(N3CCN([C@@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034515 1079105236 /nfs/dbraw/zinc/10/52/36/1079105236.db2.gz GWIGLWSZHDPZQZ-HUUCEWRRSA-N 0 3 401.467 2.214 20 5 HEBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537845 1079325297 /nfs/dbraw/zinc/32/52/97/1079325297.db2.gz BROMWJBXIYUKLZ-DNVCBOLYSA-N 0 3 421.461 2.211 20 5 HEBDHN Cc1c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000743766445 1077119198 /nfs/dbraw/zinc/11/91/98/1077119198.db2.gz XOMSYXVEJZACIF-HXUWFJFHSA-N 0 3 414.418 2.178 20 5 HEBDHN O=C(CN1CCCC1)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769317734 1081040717 /nfs/dbraw/zinc/04/07/17/1081040717.db2.gz XAKITWYTZXXBKK-UHFFFAOYSA-N 0 3 411.300 2.097 20 5 HEBDHN O=[N+]([O-])c1ccc2ncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164867535 721057611 /nfs/dbraw/zinc/05/76/11/721057611.db2.gz JNQDSDHRQDQFSN-ZWKOTPCHSA-N 0 3 406.446 2.413 20 5 HEBDHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023956 1079112544 /nfs/dbraw/zinc/11/25/44/1079112544.db2.gz WDBXPAOGLKYARM-RIFZZMRRSA-N 0 3 404.442 2.108 20 5 HEBDHN Cc1cccc(CN2CC[C@@H](NC(=O)c3ccnc(-n4ccc([N+](=O)[O-])n4)c3)C2)c1 ZINC001169150764 1079166666 /nfs/dbraw/zinc/16/66/66/1079166666.db2.gz VKVRVTHBERBDES-GOSISDBHSA-N 0 3 406.446 2.488 20 5 HEBDHN NC(=O)c1cc(OC2CCN(CCCOc3ccc([N+](=O)[O-])cc3)CC2)ccn1 ZINC000772346620 1079835399 /nfs/dbraw/zinc/83/53/99/1079835399.db2.gz OXTZMEMNDCJZPJ-UHFFFAOYSA-N 0 3 400.435 2.401 20 5 HEBDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000785815753 1080256740 /nfs/dbraw/zinc/25/67/40/1080256740.db2.gz RRILRTATYDXNQG-AWEZNQCLSA-N 0 3 406.439 2.147 20 5 HEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000769451623 1081084644 /nfs/dbraw/zinc/08/46/44/1081084644.db2.gz LXHLGRCTDSBFBW-SMDDNHRTSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451595 1081085030 /nfs/dbraw/zinc/08/50/30/1081085030.db2.gz KKEIVDCCAFPVOJ-BXUZGUMPSA-N 0 3 418.313 2.462 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)c(Cl)cc1[N+](=O)[O-])CC2 ZINC001164683955 719708572 /nfs/dbraw/zinc/70/85/72/719708572.db2.gz MIXUCXWRQULCHR-UHFFFAOYSA-N 0 3 402.282 2.477 20 5 HEBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164745833 720780412 /nfs/dbraw/zinc/78/04/12/720780412.db2.gz VZCSTHNCECDEHT-HZPDHXFCSA-N 0 3 419.445 2.184 20 5 HEBDHN O=[N+]([O-])c1ccccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164745834 720780679 /nfs/dbraw/zinc/78/06/79/720780679.db2.gz VZCSTHNCECDEHT-JKSUJKDBSA-N 0 3 419.445 2.184 20 5 HEBDHN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000770358650 1078830173 /nfs/dbraw/zinc/83/01/73/1078830173.db2.gz ATQNRMHWPWVVCT-UHFFFAOYSA-N 0 3 401.467 2.487 20 5 HEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303885 1076812791 /nfs/dbraw/zinc/81/27/91/1076812791.db2.gz BTZOHHDQPAEQBD-GWCFXTLKSA-N 0 3 406.302 2.318 20 5 HEBDHN CN(CCN1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1)Cc1ccccc1 ZINC000768838157 1080818740 /nfs/dbraw/zinc/81/87/40/1080818740.db2.gz ZHTGWMYYSPTPRH-UHFFFAOYSA-N 0 3 424.548 2.095 20 5 HEBDHN O=C(CCN1CCc2ccccc2C1)OCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000786819986 1080843872 /nfs/dbraw/zinc/84/38/72/1080843872.db2.gz CXMQIMPODGJBSY-UHFFFAOYSA-N 0 3 409.442 2.476 20 5 HEBDHN O=[N+]([O-])c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2c1 ZINC001164868346 721062189 /nfs/dbraw/zinc/06/21/89/721062189.db2.gz NZKJDMSGONYHIR-ROUUACIJSA-N 0 3 406.446 2.413 20 5 HEBDHN CCN1CCN(C[C@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769906633 1078627113 /nfs/dbraw/zinc/62/71/13/1078627113.db2.gz LXYAJKKIRLLKSQ-CYBMUJFWSA-N 0 3 418.947 2.109 20 5 HEBDHN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@]2(CCCC(=O)N2)C1 ZINC001169011293 1079098894 /nfs/dbraw/zinc/09/88/94/1079098894.db2.gz JJCLNPBPNYDGOB-RZQQEMMASA-N 0 3 410.515 2.023 20 5 HEBDHN COc1cc2ncnc(N3CCN([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034514 1079105261 /nfs/dbraw/zinc/10/52/61/1079105261.db2.gz GWIGLWSZHDPZQZ-GJZGRUSLSA-N 0 3 401.467 2.214 20 5 HEBDHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169023958 1079112485 /nfs/dbraw/zinc/11/24/85/1079112485.db2.gz WDBXPAOGLKYARM-XAUMDUMWSA-N 0 3 404.442 2.108 20 5 HEBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525392 1079323159 /nfs/dbraw/zinc/32/31/59/1079323159.db2.gz HBBFSZOHJZUARX-OXQOHEQNSA-N 0 3 410.474 2.351 20 5 HEBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525389 1079323406 /nfs/dbraw/zinc/32/34/06/1079323406.db2.gz HBBFSZOHJZUARX-OXJNMPFZSA-N 0 3 410.474 2.351 20 5 HEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC000742345300 1076831894 /nfs/dbraw/zinc/83/18/94/1076831894.db2.gz OLOJCUNPTHZROC-LLVKDONJSA-N 0 3 406.302 2.462 20 5 HEBDHN COc1ccc(-c2ccc(CN3CCC(C(=O)NCCO)CC3)o2)c([N+](=O)[O-])c1 ZINC000768320459 1080483602 /nfs/dbraw/zinc/48/36/02/1080483602.db2.gz UCDFURYBSUTZCI-UHFFFAOYSA-N 0 3 403.435 2.184 20 5 HEBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000787189193 1081055568 /nfs/dbraw/zinc/05/55/68/1081055568.db2.gz LZFZSZVEVPHOIS-ZFWWWQNUSA-N 0 3 402.373 2.276 20 5 HEBDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000769532709 1081113399 /nfs/dbraw/zinc/11/33/99/1081113399.db2.gz MCLRPJLQHIOYJA-HNNXBMFYSA-N 0 3 411.300 2.096 20 5 HEBDHN CCOC(=O)C1CCN(C2CCN(c3nccc(C(=O)OC)c3[N+](=O)[O-])CC2)CC1 ZINC001164616350 719028062 /nfs/dbraw/zinc/02/80/62/719028062.db2.gz BLEIFMLFKIDZDU-UHFFFAOYSA-N 0 3 420.466 2.020 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(Cl)c1[N+](=O)[O-])CC2 ZINC001164685087 719715781 /nfs/dbraw/zinc/71/57/81/719715781.db2.gz QWVADBLCDRNUMC-UHFFFAOYSA-N 0 3 402.282 2.477 20 5 HEBDHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CC2 ZINC001164689853 719740757 /nfs/dbraw/zinc/74/07/57/719740757.db2.gz MAXPLRJXIJRMHG-UHFFFAOYSA-N 0 3 410.478 2.233 20 5 HEBDHN CN(C)/C=C/c1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncc1[N+](=O)[O-] ZINC001164736303 720579584 /nfs/dbraw/zinc/57/95/84/720579584.db2.gz HKSGGSABPIUCHO-WEVVVXLNSA-N 0 3 411.510 2.377 20 5 HEBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867644 721079339 /nfs/dbraw/zinc/07/93/39/721079339.db2.gz YZSBUUJNQUSQRT-ROUUACIJSA-N 0 3 406.446 2.413 20 5 HEBDHN CCOc1cc([C@@H](CS(C)(=O)=O)N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971369 1079094099 /nfs/dbraw/zinc/09/40/99/1079094099.db2.gz JSMGHSONKCDEJE-NUEKZKHPSA-N 0 3 400.497 2.215 20 5 HEBDHN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@]2(CCCC(=O)N2)C1 ZINC001169011294 1079098931 /nfs/dbraw/zinc/09/89/31/1079098931.db2.gz JJCLNPBPNYDGOB-YRNRMSPPSA-N 0 3 410.515 2.023 20 5 HEBDHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303887 1076812714 /nfs/dbraw/zinc/81/27/14/1076812714.db2.gz BTZOHHDQPAEQBD-GXFFZTMASA-N 0 3 406.302 2.318 20 5 HEBDHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000742345343 1076831716 /nfs/dbraw/zinc/83/17/16/1076831716.db2.gz QHWBZENUKHQWPQ-GFCCVEGCSA-N 0 3 406.302 2.462 20 5 HEBDHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451120 1081083675 /nfs/dbraw/zinc/08/36/75/1081083675.db2.gz JFPCAQYWIYFGID-YPMHNXCESA-N 0 3 418.313 2.462 20 5 HEBDHN CN(C)/C=C\c1cc(N2CCc3ncc(CN4CCCC4)n3CC2)ncc1[N+](=O)[O-] ZINC001164736302 720578568 /nfs/dbraw/zinc/57/85/68/720578568.db2.gz HKSGGSABPIUCHO-UITAMQMPSA-N 0 3 411.510 2.377 20 5 HEBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164739880 720755471 /nfs/dbraw/zinc/75/54/71/720755471.db2.gz JFHJFGTZRNBQMC-ROUUACIJSA-N 0 3 419.445 2.184 20 5 HEBDHN CN(C)/C=C\c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871496 721138657 /nfs/dbraw/zinc/13/86/57/721138657.db2.gz DYXAYBAOFINKPQ-USTPLXNYSA-N 0 3 424.505 2.397 20 5 HEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164873581 721177817 /nfs/dbraw/zinc/17/78/17/721177817.db2.gz IRZTWLSRZHRXMW-IAGOWNOFSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C\c1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164769497 721191846 /nfs/dbraw/zinc/19/18/46/721191846.db2.gz MNZVUAZLENQURM-WDSNSIQLSA-N 0 3 411.510 2.214 20 5 HEBDHN Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000769692705 1078522161 /nfs/dbraw/zinc/52/21/61/1078522161.db2.gz SEATYKKLECTISH-QGZVFWFLSA-N 0 3 424.505 2.246 20 5 HEBDHN CCC[C@@H]1CN(Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)CCN1CCOC ZINC000766382339 1078932693 /nfs/dbraw/zinc/93/26/93/1078932693.db2.gz VAWIOFSNYDEZBX-GOSISDBHSA-N 0 3 417.510 2.246 20 5 HEBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032958 1079104306 /nfs/dbraw/zinc/10/43/06/1079104306.db2.gz AFOOGHNWDXKVNT-SJLPKXTDSA-N 0 3 418.519 2.377 20 5 HEBDHN O=C1[C@@H]2CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030349 1079102937 /nfs/dbraw/zinc/10/29/37/1079102937.db2.gz YYKZCGSIMJDKAW-MDNKFWRPSA-N 0 3 405.470 2.320 20 5 HEBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537846 1079325697 /nfs/dbraw/zinc/32/56/97/1079325697.db2.gz BROMWJBXIYUKLZ-HNAYVOBHSA-N 0 3 421.461 2.211 20 5 HEBDHN C[C@H]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2I)C1 ZINC000744801896 1077598425 /nfs/dbraw/zinc/59/84/25/1077598425.db2.gz QHFQZNCRICCPGE-JTQLQIEISA-N 0 3 403.220 2.271 20 5 HEBDHN CCOC(=O)C1CCN(C2CCN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])CC2)CC1 ZINC001164616338 719028679 /nfs/dbraw/zinc/02/86/79/719028679.db2.gz BBBIGSFWHYMDLT-UHFFFAOYSA-N 0 3 412.874 2.126 20 5 HEBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865759 721081014 /nfs/dbraw/zinc/08/10/14/721081014.db2.gz PHARZTXLMPHNGJ-QZTJIDSGSA-N 0 3 406.446 2.413 20 5 HEBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1(N2CCCC2)CCOCC1 ZINC000769899542 1078621010 /nfs/dbraw/zinc/62/10/10/1078621010.db2.gz YRDLOOPYACWULT-UHFFFAOYSA-N 0 3 417.915 2.480 20 5 HEBDHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000746094864 1078783938 /nfs/dbraw/zinc/78/39/38/1078783938.db2.gz GVVQPRYRPFVGGM-UHFFFAOYSA-N 0 3 423.517 2.456 20 5 HEBDHN Cc1cccc(CN2CCO[C@H]3CN([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027445 1079102288 /nfs/dbraw/zinc/10/22/88/1079102288.db2.gz PRVUUCNXVILYDF-MHTWAQMVSA-N 0 3 401.507 2.490 20 5 HEBDHN O=C1[C@@H]2CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001169030350 1079102970 /nfs/dbraw/zinc/10/29/70/1079102970.db2.gz YYKZCGSIMJDKAW-NBYUQASBSA-N 0 3 405.470 2.320 20 5 HEBDHN NS(=O)(=O)c1ccc(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000744421881 1077385573 /nfs/dbraw/zinc/38/55/73/1077385573.db2.gz SQRQNUSFDDEYDZ-UHFFFAOYSA-N 0 3 405.476 2.328 20 5 HEBDHN O=[N+]([O-])c1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164739879 720755789 /nfs/dbraw/zinc/75/57/89/720755789.db2.gz JFHJFGTZRNBQMC-QZTJIDSGSA-N 0 3 419.445 2.184 20 5 HEBDHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000770173635 1078769200 /nfs/dbraw/zinc/76/92/00/1078769200.db2.gz PWIUUSBWMSUCBJ-QGZVFWFLSA-N 0 3 403.527 2.341 20 5 HEBDHN Cc1cccc(CN2CCO[C@H]3CN([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)c1 ZINC001169027443 1079102358 /nfs/dbraw/zinc/10/23/58/1079102358.db2.gz PRVUUCNXVILYDF-BQJUDKOJSA-N 0 3 401.507 2.490 20 5 HEBDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771655629 1079426253 /nfs/dbraw/zinc/42/62/53/1079426253.db2.gz BQLLUGSLZAKBKM-NSHDSACASA-N 0 3 417.279 2.252 20 5 HEBDHN O=[N+]([O-])c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2c1 ZINC001164868344 721062718 /nfs/dbraw/zinc/06/27/18/721062718.db2.gz NZKJDMSGONYHIR-MSOLQXFVSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C/c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164871490 721137936 /nfs/dbraw/zinc/13/79/36/721137936.db2.gz DYXAYBAOFINKPQ-CNIPWFDFSA-N 0 3 424.505 2.397 20 5 HEBDHN CCN1CCN(C[C@@H](C)CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000769906640 1078627077 /nfs/dbraw/zinc/62/70/77/1078627077.db2.gz LXYAJKKIRLLKSQ-ZDUSSCGKSA-N 0 3 418.947 2.109 20 5 HEBDHN COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000766364258 1078920368 /nfs/dbraw/zinc/92/03/68/1078920368.db2.gz DQMMANIGTKTHAD-UHFFFAOYSA-N 0 3 405.451 2.272 20 5 HEBDHN COc1ccc(CN2CCO[C@H]3CN([C@@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026676 1079114104 /nfs/dbraw/zinc/11/41/04/1079114104.db2.gz YNLQTNTYKCYIKJ-ZSXPUABSSA-N 0 3 417.506 2.190 20 5 HEBDHN CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001169934286 1079480757 /nfs/dbraw/zinc/48/07/57/1079480757.db2.gz ZKKGNRBAOXYKBA-BEFAXECRSA-N 0 3 409.487 2.189 20 5 HEBDHN O=C(CN1CCCC2(CCOCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000741801280 1076641545 /nfs/dbraw/zinc/64/15/45/1076641545.db2.gz CWFQIBIEJWLWGT-UHFFFAOYSA-N 0 3 402.495 2.136 20 5 HEBDHN O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)c1 ZINC000742275234 1076808144 /nfs/dbraw/zinc/80/81/44/1076808144.db2.gz LGRIDUGLTQPUMY-JTQLQIEISA-N 0 3 404.286 2.120 20 5 HEBDHN O=C(CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000744407711 1077382608 /nfs/dbraw/zinc/38/26/08/1077382608.db2.gz PTNQPSLOOBFKNN-AWEZNQCLSA-N 0 3 400.395 2.413 20 5 HEBDHN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2CN2CCC[C@H]2CO)cs1 ZINC000768893088 1080836162 /nfs/dbraw/zinc/83/61/62/1080836162.db2.gz WUEHJMQDQSXXTI-HNNXBMFYSA-N 0 3 411.505 2.092 20 5 HEBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786812355 1080838997 /nfs/dbraw/zinc/83/89/97/1080838997.db2.gz GSMMWYDJFGYBFE-KAMYIIQDSA-N 0 3 420.447 2.474 20 5 HEBDHN O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787189191 1081055782 /nfs/dbraw/zinc/05/57/82/1081055782.db2.gz LZFZSZVEVPHOIS-UKRRQHHQSA-N 0 3 402.373 2.276 20 5 HEBDHN CC1(C)OCc2cc(CNCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000769493002 1081095152 /nfs/dbraw/zinc/09/51/52/1081095152.db2.gz QWMHSLMLFFXZGI-UHFFFAOYSA-N 0 3 421.475 2.308 20 5 HEBDHN O=[N+]([O-])c1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2c1 ZINC001164868345 721062417 /nfs/dbraw/zinc/06/24/17/721062417.db2.gz NZKJDMSGONYHIR-QZTJIDSGSA-N 0 3 406.446 2.413 20 5 HEBDHN CN(C)/C=C/c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164871492 721138856 /nfs/dbraw/zinc/13/88/56/721138856.db2.gz DYXAYBAOFINKPQ-IGLJKTCPSA-N 0 3 424.505 2.397 20 5 HEBDHN O=[N+]([O-])C[C@H]1CC[C@H](N2CCCN(S(=O)(=O)c3cccc4cnccc43)CC2)C1 ZINC001169032959 1079104253 /nfs/dbraw/zinc/10/42/53/1079104253.db2.gz AFOOGHNWDXKVNT-WMZOPIPTSA-N 0 3 418.519 2.377 20 5 HEBDHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000771560549 1079385893 /nfs/dbraw/zinc/38/58/93/1079385893.db2.gz JUPDHSAHTSEEGQ-UHFFFAOYSA-N 0 3 402.860 2.391 20 5 HEBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738327168 1075991049 /nfs/dbraw/zinc/99/10/49/1075991049.db2.gz VRCPQRDDEVDZNR-UHFFFAOYSA-N 0 3 408.499 2.458 20 5 HEBDHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304424 1076813103 /nfs/dbraw/zinc/81/31/03/1076813103.db2.gz HBJAGMAPOHVGRI-GWCFXTLKSA-N 0 3 406.302 2.318 20 5 HEBDHN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cs1 ZINC000768893090 1080836198 /nfs/dbraw/zinc/83/61/98/1080836198.db2.gz WUEHJMQDQSXXTI-OAHLLOKOSA-N 0 3 411.505 2.092 20 5 HEBDHN CCOc1cc([C@@H](CS(C)(=O)=O)N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971366 1079094209 /nfs/dbraw/zinc/09/42/09/1079094209.db2.gz JSMGHSONKCDEJE-FVQBIDKESA-N 0 3 400.497 2.215 20 5 HEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329183 1075982431 /nfs/dbraw/zinc/98/24/31/1075982431.db2.gz MFSUMSCQCRAVCN-UHFFFAOYSA-N 0 3 408.499 2.458 20 5 HEBDHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594678 1077077778 /nfs/dbraw/zinc/07/77/78/1077077778.db2.gz VYPPTQWLTYGDLD-APWZRJJASA-N 0 3 404.467 2.011 20 5 HEBDHN CCN1CCN(c2ccc(NC(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)cc2)CC1 ZINC000767209225 1079737726 /nfs/dbraw/zinc/73/77/26/1079737726.db2.gz FPLXSKGWOQEYKH-UHFFFAOYSA-N 0 3 419.869 2.191 20 5 HEBDHN CN1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCCCC2)C1 ZINC000746493266 1080093521 /nfs/dbraw/zinc/09/35/21/1080093521.db2.gz SIPQKPCXSUYICI-UHFFFAOYSA-N 0 3 415.538 2.194 20 5 HEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000786812356 1080839014 /nfs/dbraw/zinc/83/90/14/1080839014.db2.gz GSMMWYDJFGYBFE-SDNWHVSQSA-N 0 3 420.447 2.474 20 5 HEBDHN COc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1[N+](=O)[O-] ZINC001164767232 721137932 /nfs/dbraw/zinc/13/79/32/721137932.db2.gz LYUWKNAHIBNLPB-HOTGVXAUSA-N 0 3 423.477 2.238 20 5 HEBDHN COc1ccc(CN2CCO[C@H]3CN([C@H]4CC[C@H](C[N+](=O)[O-])C4)CC[C@H]3C2=O)cc1 ZINC001169026674 1079114063 /nfs/dbraw/zinc/11/40/63/1079114063.db2.gz YNLQTNTYKCYIKJ-MMKMLUHNSA-N 0 3 417.506 2.190 20 5 HEBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001169525386 1079323209 /nfs/dbraw/zinc/32/32/09/1079323209.db2.gz HBBFSZOHJZUARX-JXFKEZNVSA-N 0 3 410.474 2.351 20 5 HEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742303891 1076812918 /nfs/dbraw/zinc/81/29/18/1076812918.db2.gz BTZOHHDQPAEQBD-ZWNOBZJWSA-N 0 3 406.302 2.318 20 5 HEBDHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000742304427 1076813087 /nfs/dbraw/zinc/81/30/87/1076813087.db2.gz HBJAGMAPOHVGRI-ZWNOBZJWSA-N 0 3 406.302 2.318 20 5 HEBDHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743594681 1077077816 /nfs/dbraw/zinc/07/78/16/1077077816.db2.gz VYPPTQWLTYGDLD-LPHOPBHVSA-N 0 3 404.467 2.011 20 5 HEBDHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000769451074 1081083527 /nfs/dbraw/zinc/08/35/27/1081083527.db2.gz JFPCAQYWIYFGID-DGCLKSJQSA-N 0 3 418.313 2.462 20 5 HEBDHN CC(C)Oc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164764071 721213966 /nfs/dbraw/zinc/21/39/66/721213966.db2.gz GCYZUQLJAPOTRJ-IRXDYDNUSA-N 0 3 400.483 2.469 20 5 HEBDHN COc1cc(C(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC001168792079 1078996636 /nfs/dbraw/zinc/99/66/36/1078996636.db2.gz QFPFRUMRRLJTCG-NRFANRHFSA-N 0 3 417.437 2.452 20 5 HEBDHN CCOc1cc([C@H](CS(C)(=O)=O)N[C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1OC ZINC001168971364 1079094070 /nfs/dbraw/zinc/09/40/70/1079094070.db2.gz JSMGHSONKCDEJE-BPUTZDHNSA-N 0 3 400.497 2.215 20 5 HEBDHN COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169048719 1079115538 /nfs/dbraw/zinc/11/55/38/1079115538.db2.gz AWDHBWUHSRRASI-ROYATCLZSA-N 0 3 411.499 2.306 20 5 HEBDHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000771581738 1079380186 /nfs/dbraw/zinc/38/01/86/1079380186.db2.gz LRHMYTUOTIFCBM-GFCCVEGCSA-N 0 3 416.247 2.480 20 5 HEBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000786811768 1080839448 /nfs/dbraw/zinc/83/94/48/1080839448.db2.gz BVMPAKNLICOTBN-GXDHUFHOSA-N 0 3 420.447 2.474 20 5 HEBDHN CCN(CC)CC(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769316661 1081040250 /nfs/dbraw/zinc/04/02/50/1081040250.db2.gz NFBUMDYAFRNIHQ-UHFFFAOYSA-N 0 3 413.316 2.343 20 5 HEBDHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000769451598 1081084615 /nfs/dbraw/zinc/08/46/15/1081084615.db2.gz KKEIVDCCAFPVOJ-SMDDNHRTSA-N 0 3 418.313 2.462 20 5 HEBDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769532211 1081111855 /nfs/dbraw/zinc/11/18/55/1081111855.db2.gz IYSLJYYJZVFFKF-MRXNPFEDSA-N 0 3 411.300 2.096 20 5 HEBDHN O=[N+]([O-])c1ccc2ncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164867531 721057344 /nfs/dbraw/zinc/05/73/44/721057344.db2.gz JNQDSDHRQDQFSN-QZTJIDSGSA-N 0 3 406.446 2.413 20 5 HEBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867645 721078468 /nfs/dbraw/zinc/07/84/68/721078468.db2.gz YZSBUUJNQUSQRT-ZWKOTPCHSA-N 0 3 406.446 2.413 20 5 HEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c21 ZINC001164873584 721178292 /nfs/dbraw/zinc/17/82/92/721178292.db2.gz IRZTWLSRZHRXMW-SJORKVTESA-N 0 3 406.446 2.413 20 5 HEBDHN O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c21 ZINC001164873580 721178807 /nfs/dbraw/zinc/17/88/07/721178807.db2.gz IRZTWLSRZHRXMW-DLBZAZTESA-N 0 3 406.446 2.413 20 5 HEBDHN COc1cc2ncnc(N3CCN([C@H]4CC[C@@H](C[N+](=O)[O-])C4)CC3)c2cc1OC ZINC001169034513 1079105277 /nfs/dbraw/zinc/10/52/77/1079105277.db2.gz GWIGLWSZHDPZQZ-CABCVRRESA-N 0 3 401.467 2.214 20 5 HEBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785855764 1080283833 /nfs/dbraw/zinc/28/38/33/1080283833.db2.gz BIEIXPGJLUYOQE-UHFFFAOYSA-N 0 3 416.394 2.335 20 5 HEBDHN O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867642 721078713 /nfs/dbraw/zinc/07/87/13/721078713.db2.gz YZSBUUJNQUSQRT-MSOLQXFVSA-N 0 3 406.446 2.413 20 5 HEBDHN COC(=O)c1cc([N+](=O)[O-])cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900313 721515163 /nfs/dbraw/zinc/51/51/63/721515163.db2.gz QBUZATZXJRHPRR-DOTOQJQBSA-N 0 3 416.409 2.257 20 5 HEBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001169537847 1079325802 /nfs/dbraw/zinc/32/58/02/1079325802.db2.gz BROMWJBXIYUKLZ-KXBFYZLASA-N 0 3 421.461 2.211 20 5 HEBDHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742297050 1076820704 /nfs/dbraw/zinc/82/07/04/1076820704.db2.gz UTWKXIRPIZDXII-LLVKDONJSA-N 0 3 406.302 2.320 20 5 HEBDHN CC(C)Oc1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164764066 721214696 /nfs/dbraw/zinc/21/46/96/721214696.db2.gz GCYZUQLJAPOTRJ-DLBZAZTESA-N 0 3 400.483 2.469 20 5 HEBDHN