smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(CCNC(=O)N[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000780358584 939109315 /nfs/dbraw/zinc/10/93/15/939109315.db2.gz MXLOZAPOHLDHOW-KRWDZBQOSA-N -1 0 403.391 2.280 20 5 HEBDRM Cc1cc(=O)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000426688950 939142201 /nfs/dbraw/zinc/14/22/01/939142201.db2.gz SSJVFUGDBJOBRM-KRWDZBQOSA-N -1 0 408.370 2.005 20 5 HEBDRM CCO[C@@H]1C[C@](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)(C(=O)[O-])C1(C)C ZINC000439705581 939192668 /nfs/dbraw/zinc/19/26/68/939192668.db2.gz FIRUJWWSYNEKDU-BEFAXECRSA-N -1 0 402.407 2.169 20 5 HEBDRM C[C@@](NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000562435323 939330060 /nfs/dbraw/zinc/33/00/60/939330060.db2.gz SRNNAOPWVZXFST-KRWDZBQOSA-N -1 0 407.404 2.120 20 5 HEBDRM COc1ccc([C@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C(=O)[O-])c(OC)c1 ZINC000581645318 939779701 /nfs/dbraw/zinc/77/97/01/939779701.db2.gz OXOSQXSIAKNSBY-KRWDZBQOSA-N -1 0 403.391 2.280 20 5 HEBDRM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769623473 1078477771 /nfs/dbraw/zinc/47/77/71/1078477771.db2.gz OKAMVWWSZOAOCR-UHFFFAOYSA-N -1 0 424.442 2.176 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccnc1OCC(F)(F)F ZINC000770110216 1078732891 /nfs/dbraw/zinc/73/28/91/1078732891.db2.gz QKRLZZNNHLQYGQ-UHFFFAOYSA-N -1 0 423.300 2.189 20 5 HEBDRM C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc2[N+](=O)[O-])C1 ZINC000770140829 1078744911 /nfs/dbraw/zinc/74/49/11/1078744911.db2.gz HANHVSQNEXCPPI-LBPRGKRZSA-N -1 0 408.436 2.079 20 5 HEBDRM CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccccn3)cc2[N+](=O)[O-])CC1 ZINC000770131097 1078742408 /nfs/dbraw/zinc/74/24/08/1078742408.db2.gz AKSQHVVTHJRQLO-UHFFFAOYSA-N -1 0 404.448 2.345 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)nc1C ZINC000770196276 1078755040 /nfs/dbraw/zinc/75/50/40/1078755040.db2.gz BMQIKRXJLBPMAW-UHFFFAOYSA-N -1 0 421.460 2.362 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc2[N+](=O)[O-])C1 ZINC000770140827 1078744949 /nfs/dbraw/zinc/74/49/49/1078744949.db2.gz HANHVSQNEXCPPI-GFCCVEGCSA-N -1 0 408.436 2.079 20 5 HEBDRM Cc1ccc(-n2[n-]c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2=O)cc1 ZINC000746095616 1078784877 /nfs/dbraw/zinc/78/48/77/1078784877.db2.gz VPCHVJSBDWFDPB-UHFFFAOYSA-N -1 0 407.430 2.345 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccc(F)cc1 ZINC000770728970 1078955032 /nfs/dbraw/zinc/95/50/32/1078955032.db2.gz ZNFFHXDSXGCHSK-UHFFFAOYSA-N -1 0 422.369 2.486 20 5 HEBDRM COc1nc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc2ccccc21 ZINC000770764891 1078984960 /nfs/dbraw/zinc/98/49/60/1078984960.db2.gz DHYQMDHZYCXCDH-UHFFFAOYSA-N -1 0 405.363 2.409 20 5 HEBDRM O=C(CCC(=O)c1ccc(F)c(F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770769153 1078987741 /nfs/dbraw/zinc/98/77/41/1078987741.db2.gz ZTMZJEUCFVCLQO-UHFFFAOYSA-N -1 0 416.333 2.480 20 5 HEBDRM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770772859 1078990818 /nfs/dbraw/zinc/99/08/18/1078990818.db2.gz QDLWUPBJMATDHB-YGRLFVJLSA-N -1 0 421.406 2.447 20 5 HEBDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770746066 1079002409 /nfs/dbraw/zinc/00/24/09/1079002409.db2.gz JQSCQKAXSQXUIT-SECBINFHSA-N -1 0 407.242 2.121 20 5 HEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000770802374 1079023838 /nfs/dbraw/zinc/02/38/38/1079023838.db2.gz HONLGVGIVJZCOE-DHZHZOJOSA-N -1 0 418.427 2.188 20 5 HEBDRM COCCOc1ccc(-n2nc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])n2)cc1 ZINC000770858577 1079041422 /nfs/dbraw/zinc/04/14/22/1079041422.db2.gz VEPAHBOEDKDBQD-UHFFFAOYSA-N -1 0 413.390 2.467 20 5 HEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000766791718 1079383169 /nfs/dbraw/zinc/38/31/69/1079383169.db2.gz BQPJPNXSOVWVNW-INIZCTEOSA-N -1 0 414.386 2.249 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000766837115 1079425738 /nfs/dbraw/zinc/42/57/38/1079425738.db2.gz HLUZSULCDQUXAA-UHFFFAOYSA-N -1 0 422.369 2.319 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(Nc2ccccn2)n1 ZINC000737315019 1075906743 /nfs/dbraw/zinc/90/67/43/1075906743.db2.gz OSFQTKILKIHDTP-UHFFFAOYSA-N -1 0 405.417 2.309 20 5 HEBDRM C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000737349105 1076042003 /nfs/dbraw/zinc/04/20/03/1076042003.db2.gz UDSPEXBLTKHYQZ-AWEZNQCLSA-N -1 0 419.459 2.252 20 5 HEBDRM COC(=O)c1ccncc1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000739384128 1076056901 /nfs/dbraw/zinc/05/69/01/1076056901.db2.gz BCKOHSLPCDGDPB-UHFFFAOYSA-N -1 0 416.209 2.340 20 5 HEBDRM COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)[nH]n2)cc1 ZINC000766279145 1076685681 /nfs/dbraw/zinc/68/56/81/1076685681.db2.gz ZSHFYXNYIQVARQ-UHFFFAOYSA-N -1 0 416.415 2.421 20 5 HEBDRM COC(=O)c1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Br)c[n-]1 ZINC000742301775 1076812033 /nfs/dbraw/zinc/81/20/33/1076812033.db2.gz ZXWWSERDFAYZFI-UHFFFAOYSA-N -1 0 405.182 2.240 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1N1CCOC1=O ZINC000743268624 1077019939 /nfs/dbraw/zinc/01/99/39/1077019939.db2.gz BGFBQDOMWUJOJU-UHFFFAOYSA-N -1 0 423.403 2.369 20 5 HEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1[N+](=O)[O-] ZINC000744256349 1077351167 /nfs/dbraw/zinc/35/11/67/1077351167.db2.gz FEHFHFIAJQZAHD-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1[N+](=O)[O-] ZINC000744257326 1077351815 /nfs/dbraw/zinc/35/18/15/1077351815.db2.gz QEKKCEHHXSLWOH-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM COCCCCS(=O)(=O)[N-]C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000766967207 1079562657 /nfs/dbraw/zinc/56/26/57/1079562657.db2.gz HGYDFTCEIHNDLJ-UHFFFAOYSA-N -1 0 409.258 2.152 20 5 HEBDRM Cc1cc(=O)c(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000767022547 1079595766 /nfs/dbraw/zinc/59/57/66/1079595766.db2.gz FUNUXJLKCKDNAS-LJQANCHMSA-N -1 0 422.397 2.347 20 5 HEBDRM O=C([O-])CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CCOCC1 ZINC000767038804 1079621699 /nfs/dbraw/zinc/62/16/99/1079621699.db2.gz UADDKXHXFFILDD-UHFFFAOYSA-N -1 0 405.176 2.202 20 5 HEBDRM CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000767432065 1079860436 /nfs/dbraw/zinc/86/04/36/1079860436.db2.gz UBCXPBKWCNQNSS-UHFFFAOYSA-N -1 0 400.844 2.280 20 5 HEBDRM COCCc1cc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n(C)n1 ZINC000767717375 1080049808 /nfs/dbraw/zinc/04/98/08/1080049808.db2.gz WFHMYXRQLYWDMF-UHFFFAOYSA-N -1 0 419.257 2.081 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)OC[C@H](C)CO)cc1 ZINC000785510329 1080058677 /nfs/dbraw/zinc/05/86/77/1080058677.db2.gz YCOBYYMSPLXFQK-GFCCVEGCSA-N -1 0 424.431 2.189 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C(=O)[O-] ZINC000785702119 1080173169 /nfs/dbraw/zinc/17/31/69/1080173169.db2.gz MCIJIARSESWOLI-WPRPVWTQSA-N -1 0 407.242 2.089 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000785702536 1080212746 /nfs/dbraw/zinc/21/27/46/1080212746.db2.gz PODYPFMXMNVXKU-PSASIEDQSA-N -1 0 407.242 2.089 20 5 HEBDRM Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000768045977 1080311428 /nfs/dbraw/zinc/31/14/28/1080311428.db2.gz KIJYGSRRWHRKBD-UHFFFAOYSA-N -1 0 404.364 2.193 20 5 HEBDRM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000768269844 1080451527 /nfs/dbraw/zinc/45/15/27/1080451527.db2.gz VYKOTLDPWHRMCJ-UHFFFAOYSA-N -1 0 411.411 2.219 20 5 HEBDRM CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)cc1 ZINC000786268010 1080549726 /nfs/dbraw/zinc/54/97/26/1080549726.db2.gz REKCMATYKQGAGQ-UHFFFAOYSA-N -1 0 405.432 2.313 20 5 HEBDRM C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000786444030 1080605509 /nfs/dbraw/zinc/60/55/09/1080605509.db2.gz GUHAKTRDONDFOU-NWDGAFQWSA-N -1 0 413.452 2.045 20 5 HEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1c1ccccc1 ZINC000786470124 1080612562 /nfs/dbraw/zinc/61/25/62/1080612562.db2.gz MROWPWNNJWNIFK-GOSISDBHSA-N -1 0 403.460 2.252 20 5 HEBDRM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786473457 1080615785 /nfs/dbraw/zinc/61/57/85/1080615785.db2.gz IWZVZMAJXBHKHS-HNNXBMFYSA-N -1 0 420.443 2.270 20 5 HEBDRM C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C ZINC000786458262 1080639502 /nfs/dbraw/zinc/63/95/02/1080639502.db2.gz XVFTYPNFPKHCTN-ONGXEEELSA-N -1 0 419.481 2.107 20 5 HEBDRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000768768491 1080753746 /nfs/dbraw/zinc/75/37/46/1080753746.db2.gz AKHLRFCMJZBKOQ-UHFFFAOYSA-N -1 0 416.770 2.293 20 5 HEBDRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000768783150 1080795862 /nfs/dbraw/zinc/79/58/62/1080795862.db2.gz DXJPVRFVERQCPD-GXSJLCMTSA-N -1 0 407.242 2.120 20 5 HEBDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785429 1080796829 /nfs/dbraw/zinc/79/68/29/1080796829.db2.gz TXRKEFCTPVJLHE-VIFPVBQESA-N -1 0 409.258 2.367 20 5 HEBDRM CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785294 1080796924 /nfs/dbraw/zinc/79/69/24/1080796924.db2.gz FRTZNZFEFRBVIX-VIFPVBQESA-N -1 0 409.258 2.223 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)[nH]1 ZINC000768785818 1080797475 /nfs/dbraw/zinc/79/74/75/1080797475.db2.gz LSSDZPINGYZBDH-UHFFFAOYSA-N -1 0 402.226 2.421 20 5 HEBDRM O=C(c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCC(O)CC1 ZINC000768884082 1080831632 /nfs/dbraw/zinc/83/16/32/1080831632.db2.gz QBOHQJHGGKFICK-UHFFFAOYSA-N -1 0 411.461 2.054 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCC3CC3)cc2)cs1 ZINC000768862007 1080843580 /nfs/dbraw/zinc/84/35/80/1080843580.db2.gz RWLUWDONEYEHPW-UHFFFAOYSA-N -1 0 417.490 2.145 20 5 HEBDRM CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)cn21 ZINC000769296213 1081033208 /nfs/dbraw/zinc/03/32/08/1081033208.db2.gz UMZBRMQWMJAKCM-UHFFFAOYSA-N -1 0 421.410 2.193 20 5 HEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cn1C ZINC000769636043 1081154583 /nfs/dbraw/zinc/15/45/83/1081154583.db2.gz NPUQSJTVOHJLLL-UHFFFAOYSA-N -1 0 418.225 2.283 20 5 HEBDRM COc1cc(CCNC(=O)N[C@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000780360528 939110211 /nfs/dbraw/zinc/11/02/11/939110211.db2.gz GITRZGKUGVNAHB-KRWDZBQOSA-N -1 0 409.439 2.487 20 5 HEBDRM CC1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)cc2[N+](=O)[O-])CC1 ZINC000432122957 939180291 /nfs/dbraw/zinc/18/02/91/939180291.db2.gz RHPNTLXXKDBIRT-MAUKXSAKSA-N -1 0 405.451 2.441 20 5 HEBDRM O=C([O-])[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000537365550 939265818 /nfs/dbraw/zinc/26/58/18/939265818.db2.gz YIQBVJGWGBQZLP-MRXNPFEDSA-N -1 0 423.784 2.449 20 5 HEBDRM Cc1c(C(=O)N[C@@]2(C(=O)[O-])CCc3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000610845876 939807557 /nfs/dbraw/zinc/80/75/57/939807557.db2.gz CXBUQLMVXUWYEF-FQEVSTJZSA-N -1 0 407.386 2.140 20 5 HEBDRM C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)N(C)C ZINC000745730668 1078619285 /nfs/dbraw/zinc/61/92/85/1078619285.db2.gz QDYRPQSRFLFVQE-GFCCVEGCSA-N -1 0 421.431 2.029 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)c(Br)c1 ZINC000745968829 1078712985 /nfs/dbraw/zinc/71/29/85/1078712985.db2.gz OUFHTPWBUQJKGC-UHFFFAOYSA-N -1 0 402.226 2.123 20 5 HEBDRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000770527503 1078884967 /nfs/dbraw/zinc/88/49/67/1078884967.db2.gz OFCGNJXROPYAEW-LBPRGKRZSA-N -1 0 401.441 2.011 20 5 HEBDRM C[C@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000746417777 1078910984 /nfs/dbraw/zinc/91/09/84/1078910984.db2.gz BXHABYXIYOPMHF-WDEREUQCSA-N -1 0 406.844 2.027 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2c(C)onc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000766396502 1078950989 /nfs/dbraw/zinc/95/09/89/1078950989.db2.gz DIDDTPLVHWJRLR-UHFFFAOYSA-N -1 0 418.387 2.081 20 5 HEBDRM COc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)=C2 ZINC000770728968 1078954880 /nfs/dbraw/zinc/95/48/80/1078954880.db2.gz ZNEWWPFKOZQYID-UHFFFAOYSA-N -1 0 408.363 2.023 20 5 HEBDRM COc1cc2cc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[nH]c2cc1OC ZINC000770768150 1078987247 /nfs/dbraw/zinc/98/72/47/1078987247.db2.gz RUZOPKBNYANXKJ-UHFFFAOYSA-N -1 0 423.378 2.351 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000770866416 1079046097 /nfs/dbraw/zinc/04/60/97/1079046097.db2.gz VFUDEORHCDPLCD-UHFFFAOYSA-N -1 0 419.444 2.438 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2nn(-c3ccccc3)cc2C)c([N+](=O)[O-])c1 ZINC000770837290 1079053678 /nfs/dbraw/zinc/05/36/78/1079053678.db2.gz ZQRCGHZTVDTTJQ-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](CO)C1 ZINC000739898895 1079326511 /nfs/dbraw/zinc/32/65/11/1079326511.db2.gz PVPVAHJVFYCMFJ-ZDUSSCGKSA-N -1 0 407.448 2.223 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccn(-c2ccc(F)cc2F)n1 ZINC000766838668 1079429270 /nfs/dbraw/zinc/42/92/70/1079429270.db2.gz PRRILYWLCZXOAB-UHFFFAOYSA-N -1 0 408.342 2.177 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000766873008 1079470050 /nfs/dbraw/zinc/47/00/50/1079470050.db2.gz JEMNUIFWXGCBOB-UHFFFAOYSA-N -1 0 414.371 2.239 20 5 HEBDRM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000766878389 1079472238 /nfs/dbraw/zinc/47/22/38/1079472238.db2.gz MVQLAQZCFJANRA-DOMZBBRYSA-N -1 0 400.453 2.394 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1csc(Nc2ccccn2)n1 ZINC000737323297 1075899625 /nfs/dbraw/zinc/89/96/25/1075899625.db2.gz SMGQNSOTVBARAH-UHFFFAOYSA-N -1 0 423.407 2.448 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCN2C(=O)CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000739189667 1076041075 /nfs/dbraw/zinc/04/10/75/1076041075.db2.gz FJBXRRVDYIDBLQ-UHFFFAOYSA-N -1 0 417.443 2.078 20 5 HEBDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000740522373 1076204238 /nfs/dbraw/zinc/20/42/38/1076204238.db2.gz BKFGQVVVCNDQDF-UHFFFAOYSA-N -1 0 401.441 2.093 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCc2nc(-c3ccoc3)no2)cc([N+](=O)[O-])c1C ZINC000740525513 1076205967 /nfs/dbraw/zinc/20/59/67/1076205967.db2.gz SSIUASPIHGYSDT-UHFFFAOYSA-N -1 0 420.403 2.292 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)cc(Br)c1C ZINC000740602207 1076212440 /nfs/dbraw/zinc/21/24/40/1076212440.db2.gz GQPJCUZAXCPLBD-UHFFFAOYSA-N -1 0 416.253 2.431 20 5 HEBDRM CC(C)COCCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741751080 1076619100 /nfs/dbraw/zinc/61/91/00/1076619100.db2.gz KBSJMSHHSDAJBN-UHFFFAOYSA-N -1 0 409.258 2.225 20 5 HEBDRM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000742027242 1076723176 /nfs/dbraw/zinc/72/31/76/1076723176.db2.gz NMVKOTLRUIEQKE-UHFFFAOYSA-N -1 0 411.411 2.358 20 5 HEBDRM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000742027315 1076723509 /nfs/dbraw/zinc/72/35/09/1076723509.db2.gz QZPZKLANSVOHAT-UHFFFAOYSA-N -1 0 411.411 2.219 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000742032094 1076726732 /nfs/dbraw/zinc/72/67/32/1076726732.db2.gz LGWRLBODIUEFLN-LBPRGKRZSA-N -1 0 421.406 2.048 20 5 HEBDRM CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)cc21 ZINC000742231307 1076802405 /nfs/dbraw/zinc/80/24/05/1076802405.db2.gz QOPAZKISGGNNDT-UHFFFAOYSA-N -1 0 420.447 2.496 20 5 HEBDRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000744008053 1077302994 /nfs/dbraw/zinc/30/29/94/1077302994.db2.gz SIBSSKBDRFNUFQ-LLVKDONJSA-N -1 0 408.480 2.246 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3cnn(C)c3)c2)c([N+](=O)[O-])c1 ZINC000744011763 1077303899 /nfs/dbraw/zinc/30/38/99/1077303899.db2.gz DVXXEAHOAWRPQL-UHFFFAOYSA-N -1 0 416.415 2.123 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000744013326 1077305809 /nfs/dbraw/zinc/30/58/09/1077305809.db2.gz YCYCHOUOCGZQKW-RYUDHWBXSA-N -1 0 412.370 2.490 20 5 HEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1Cn1cncn1 ZINC000744074825 1077312916 /nfs/dbraw/zinc/31/29/16/1077312916.db2.gz PKMXWLPLKLVMFP-UHFFFAOYSA-N -1 0 421.822 2.007 20 5 HEBDRM Cc1cc(-n2cncn2)ccc1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744072724 1077312921 /nfs/dbraw/zinc/31/29/21/1077312921.db2.gz BRHHPVGDCWSGLO-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000744256481 1077350972 /nfs/dbraw/zinc/35/09/72/1077350972.db2.gz CKOHJZLXYYTRMF-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM CCc1noc(CC)c1CC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000766326800 1077771640 /nfs/dbraw/zinc/77/16/40/1077771640.db2.gz NTSVNVACHFIMRJ-UHFFFAOYSA-N -1 0 401.828 2.409 20 5 HEBDRM COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000766329684 1077812743 /nfs/dbraw/zinc/81/27/43/1077812743.db2.gz XOJILGLFXAXTBZ-ZDUSSCGKSA-N -1 0 415.424 2.037 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cnc(Cl)c(OC)c2)cc([N+](=O)[O-])c1 ZINC000767466640 1079868510 /nfs/dbraw/zinc/86/85/10/1079868510.db2.gz MMZROXSOSAGABQ-UHFFFAOYSA-N -1 0 401.784 2.239 20 5 HEBDRM O=C(CCc1cc2ccccc2[nH]c1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000767469776 1079870697 /nfs/dbraw/zinc/87/06/97/1079870697.db2.gz KXUMZIGUWPPRAB-UHFFFAOYSA-N -1 0 419.390 2.425 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)OC[C@@H](C)CO)cc1 ZINC000785516007 1080029814 /nfs/dbraw/zinc/02/98/14/1080029814.db2.gz UEVNOBYSDFIXTR-LBPRGKRZSA-N -1 0 408.432 2.489 20 5 HEBDRM COCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000785509911 1080058552 /nfs/dbraw/zinc/05/85/52/1080058552.db2.gz UPWLNJZZRRVGKU-UHFFFAOYSA-N -1 0 410.404 2.207 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000785974133 1080332088 /nfs/dbraw/zinc/33/20/88/1080332088.db2.gz ZHISADCHTZVAQG-UHFFFAOYSA-N -1 0 407.404 2.133 20 5 HEBDRM Cc1nn(CCC(=O)[N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000768144747 1080351570 /nfs/dbraw/zinc/35/15/70/1080351570.db2.gz NUAGSNNTACLODC-UHFFFAOYSA-N -1 0 417.447 2.094 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)cc([N+](=O)[O-])c1F ZINC000768272989 1080453745 /nfs/dbraw/zinc/45/37/45/1080453745.db2.gz APFILSDHCMFQAR-UHFFFAOYSA-N -1 0 423.831 2.144 20 5 HEBDRM CSCCCC(=O)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000798200681 1080541149 /nfs/dbraw/zinc/54/11/49/1080541149.db2.gz NSDLWZVIBMCSPK-UHFFFAOYSA-N -1 0 415.262 2.445 20 5 HEBDRM CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000786363352 1080571166 /nfs/dbraw/zinc/57/11/66/1080571166.db2.gz UYWCOYYYCWFIST-UHFFFAOYSA-N -1 0 411.823 2.350 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccon1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786445976 1080608754 /nfs/dbraw/zinc/60/87/54/1080608754.db2.gz WBXXVZVWGHAPCF-UHFFFAOYSA-N -1 0 417.399 2.422 20 5 HEBDRM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786531254 1080649380 /nfs/dbraw/zinc/64/93/80/1080649380.db2.gz VLCOCJBCUCJYTI-ZDUSSCGKSA-N -1 0 408.432 2.268 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000768768497 1080753640 /nfs/dbraw/zinc/75/36/40/1080753640.db2.gz AMCRNXOLLWLGEM-UHFFFAOYSA-N -1 0 403.416 2.252 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(-c2cccs2)n1 ZINC000768779769 1080794637 /nfs/dbraw/zinc/79/46/37/1080794637.db2.gz ZPQKWQHTWZXBOW-UHFFFAOYSA-N -1 0 406.445 2.317 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000786775953 1080817656 /nfs/dbraw/zinc/81/76/56/1080817656.db2.gz HXEZLJLMDJGOAB-LBPRGKRZSA-N -1 0 416.312 2.391 20 5 HEBDRM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000768866808 1080824774 /nfs/dbraw/zinc/82/47/74/1080824774.db2.gz CIHDMXQZNBIKAU-UHFFFAOYSA-N -1 0 419.868 2.299 20 5 HEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C(=O)OC ZINC000768890377 1080835076 /nfs/dbraw/zinc/83/50/76/1080835076.db2.gz WGXDFIFEEDHVEY-UHFFFAOYSA-N -1 0 400.390 2.030 20 5 HEBDRM Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000768862618 1080842882 /nfs/dbraw/zinc/84/28/82/1080842882.db2.gz YHZXUCAPXKILNO-UHFFFAOYSA-N -1 0 419.506 2.324 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000769292885 1081047314 /nfs/dbraw/zinc/04/73/14/1081047314.db2.gz MESQYZPEDCJVIP-UHFFFAOYSA-N -1 0 411.823 2.420 20 5 HEBDRM COCCn1cc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000769635536 1081155155 /nfs/dbraw/zinc/15/51/55/1081155155.db2.gz FRBFXKCXTMTHIP-UHFFFAOYSA-N -1 0 405.230 2.001 20 5 HEBDRM C[C@](NC(=O)CCn1cc([N+](=O)[O-])cn1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649546 939093943 /nfs/dbraw/zinc/09/39/43/939093943.db2.gz HDSFHSFJHJHNGX-OAHLLOKOSA-N -1 0 411.212 2.060 20 5 HEBDRM COc1ccc([C@H](NC(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)[O-])cc1 ZINC000554053419 939298422 /nfs/dbraw/zinc/29/84/22/939298422.db2.gz OADIRFXQTZPZEU-KRWDZBQOSA-N -1 0 411.374 2.048 20 5 HEBDRM COc1ccc2nc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc2c1 ZINC000770152681 1078730659 /nfs/dbraw/zinc/73/06/59/1078730659.db2.gz HBVBRNFHJPPJQA-UHFFFAOYSA-N -1 0 405.363 2.409 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)(F)F ZINC000770107791 1078728843 /nfs/dbraw/zinc/72/88/43/1078728843.db2.gz FMYYAJNCFBEZAT-UHFFFAOYSA-N -1 0 419.337 2.358 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000770114499 1078735505 /nfs/dbraw/zinc/73/55/05/1078735505.db2.gz CECKNTRMERSNRK-CQSZACIVSA-N -1 0 410.496 2.292 20 5 HEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc2[N+](=O)[O-])C1 ZINC000770141871 1078745307 /nfs/dbraw/zinc/74/53/07/1078745307.db2.gz PTSFMHIGYJCPCA-CHWSQXEVSA-N -1 0 422.463 2.325 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)nc1C ZINC000770211959 1078788838 /nfs/dbraw/zinc/78/88/38/1078788838.db2.gz QLIUSVBWRWHCRT-UHFFFAOYSA-N -1 0 421.479 2.229 20 5 HEBDRM CC(C)(C)OC(=O)N1CCC([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000746176876 1078811006 /nfs/dbraw/zinc/81/10/06/1078811006.db2.gz HBYIQGBOGNNGLR-UHFFFAOYSA-N -1 0 403.432 2.412 20 5 HEBDRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000770437732 1078854285 /nfs/dbraw/zinc/85/42/85/1078854285.db2.gz WPGMDUOORDEMPF-JTQLQIEISA-N -1 0 421.859 2.356 20 5 HEBDRM CC(=O)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770771837 1078990007 /nfs/dbraw/zinc/99/00/07/1078990007.db2.gz GVIZHFGYMLVDDA-NSHDSACASA-N -1 0 410.379 2.209 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OC2CCOCC2)cc1 ZINC000770773094 1078990716 /nfs/dbraw/zinc/99/07/16/1078990716.db2.gz OETCRONTLPPALC-UHFFFAOYSA-N -1 0 424.406 2.410 20 5 HEBDRM CCOCCOc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770772895 1078990784 /nfs/dbraw/zinc/99/07/84/1078990784.db2.gz QVVRUKRYXGUPMR-UHFFFAOYSA-N -1 0 412.395 2.268 20 5 HEBDRM CC(=O)N[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C)cc1 ZINC000770775485 1078992089 /nfs/dbraw/zinc/99/20/89/1078992089.db2.gz NUBOGJMXVVXRFO-MRXNPFEDSA-N -1 0 423.422 2.115 20 5 HEBDRM 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O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000766687435 1079260416 /nfs/dbraw/zinc/26/04/16/1079260416.db2.gz MEUKABNLUCLGEP-UHFFFAOYSA-N -1 0 406.342 2.183 20 5 HEBDRM CC(C)(C)OC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc1 ZINC000771292425 1079290920 /nfs/dbraw/zinc/29/09/20/1079290920.db2.gz VYAVPOGMVDOGDP-UHFFFAOYSA-N -1 0 407.404 2.064 20 5 HEBDRM CC(C)c1n[nH]c(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000771525791 1079370716 /nfs/dbraw/zinc/37/07/16/1079370716.db2.gz FKLBAIXROYLEPA-IBGZPJMESA-N -1 0 414.422 2.029 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000766872313 1079468348 /nfs/dbraw/zinc/46/83/48/1079468348.db2.gz IJJKBJDYXPFMPE-UWVGGRQHSA-N -1 0 401.322 2.016 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000766872317 1079468360 /nfs/dbraw/zinc/46/83/60/1079468360.db2.gz IJJKBJDYXPFMPE-ZJUUUORDSA-N -1 0 401.322 2.016 20 5 HEBDRM 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CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000767090651 1079671722 /nfs/dbraw/zinc/67/17/22/1079671722.db2.gz VYNYHKBSRZEIIL-UHFFFAOYSA-N -1 0 400.391 2.118 20 5 HEBDRM Cn1c([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nc2cccnc21 ZINC000767697477 1080027806 /nfs/dbraw/zinc/02/78/06/1080027806.db2.gz KWHQVLZGTZXDBE-UHFFFAOYSA-N -1 0 412.225 2.440 20 5 HEBDRM COC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000785545691 1080052052 /nfs/dbraw/zinc/05/20/52/1080052052.db2.gz VCLLFUNMPAIQKD-UHFFFAOYSA-N -1 0 408.388 2.034 20 5 HEBDRM COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)cc1[N+](=O)[O-] ZINC000768129504 1080363187 /nfs/dbraw/zinc/36/31/87/1080363187.db2.gz GKJQAIWINVJOGZ-UHFFFAOYSA-N -1 0 415.427 2.442 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000768137166 1080368676 /nfs/dbraw/zinc/36/86/76/1080368676.db2.gz ARLIRCZHDFXMSJ-UHFFFAOYSA-N -1 0 414.443 2.327 20 5 HEBDRM O=C([N-]S(=O)(=O)N1CCOCC1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000768175684 1080386355 /nfs/dbraw/zinc/38/63/55/1080386355.db2.gz KNPDCFJWWCEEDG-UHFFFAOYSA-N -1 0 423.472 2.053 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000772680009 1080477170 /nfs/dbraw/zinc/47/71/70/1080477170.db2.gz RBTCAZIOTIRLRG-UHFFFAOYSA-N -1 0 416.415 2.123 20 5 HEBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)[C@H](O)C1 ZINC000768524106 1080609816 /nfs/dbraw/zinc/60/98/16/1080609816.db2.gz FYJBRRPFPGUJLE-BLLLJJGKSA-N -1 0 407.448 2.221 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2ccccc2)ccc1[N+](=O)[O-] ZINC000786462267 1080643211 /nfs/dbraw/zinc/64/32/11/1080643211.db2.gz LRIZOAPZBZQTGS-MRXNPFEDSA-N -1 0 405.432 2.077 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000768807836 1080786242 /nfs/dbraw/zinc/78/62/42/1080786242.db2.gz SLWVXRQSPIDIFT-UHFFFAOYSA-N -1 0 420.428 2.241 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1CCCN1Cc1ccccc1 ZINC000768779443 1080793199 /nfs/dbraw/zinc/79/31/99/1080793199.db2.gz DCAWFJMVWIWARR-KRWDZBQOSA-N -1 0 407.423 2.203 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1csc(-c2ccccn2)n1 ZINC000768780105 1080793998 /nfs/dbraw/zinc/79/39/98/1080793998.db2.gz KRJGXJTVXGUFRV-UHFFFAOYSA-N -1 0 408.392 2.371 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cnn(CC(C)C)c2C2CC2)c([N+](=O)[O-])c1 ZINC000768779698 1080794509 /nfs/dbraw/zinc/79/45/09/1080794509.db2.gz WZGWPEFBWHUHOW-UHFFFAOYSA-N -1 0 422.463 2.452 20 5 HEBDRM O=C(Cc1ccn(-c2ccc(F)cc2)n1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000768780058 1080794700 /nfs/dbraw/zinc/79/47/00/1080794700.db2.gz NMRPYABJVDVBKR-UHFFFAOYSA-N -1 0 410.408 2.029 20 5 HEBDRM COCCC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000768784318 1080796412 /nfs/dbraw/zinc/79/64/12/1080796412.db2.gz KEKCGYRWUTXLLV-UHFFFAOYSA-N -1 0 421.269 2.369 20 5 HEBDRM CCc1ncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)s1 ZINC000768787278 1080797802 /nfs/dbraw/zinc/79/78/02/1080797802.db2.gz ZITCXEVXEKUIER-UHFFFAOYSA-N -1 0 420.266 2.495 20 5 HEBDRM COc1ccccc1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccn1C ZINC000768799316 1080803358 /nfs/dbraw/zinc/80/33/58/1080803358.db2.gz TVBDSDKTJLVNLV-HNNXBMFYSA-N -1 0 408.461 2.466 20 5 HEBDRM COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866096 1080823580 /nfs/dbraw/zinc/82/35/80/1080823580.db2.gz INNRTRHGDCHTOX-UHFFFAOYSA-N -1 0 402.406 2.261 20 5 HEBDRM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768864733 1080823648 /nfs/dbraw/zinc/82/36/48/1080823648.db2.gz SJLBOUUKENZNHS-UHFFFAOYSA-N -1 0 419.506 2.488 20 5 HEBDRM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000768886885 1080832604 /nfs/dbraw/zinc/83/26/04/1080832604.db2.gz PAZWKMPLUBPODI-UHFFFAOYSA-N -1 0 419.415 2.076 20 5 HEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2CCN3C(C)=O)c([N+](=O)[O-])c1 ZINC000768886229 1080832637 /nfs/dbraw/zinc/83/26/37/1080832637.db2.gz KCALYRBXPXXQGB-UHFFFAOYSA-N -1 0 419.415 2.091 20 5 HEBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1N1CCCS1(=O)=O ZINC000768886924 1080832661 /nfs/dbraw/zinc/83/26/61/1080832661.db2.gz FGJWEWJYVUHIKT-UHFFFAOYSA-N -1 0 417.490 2.305 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000786998270 1080910237 /nfs/dbraw/zinc/91/02/37/1080910237.db2.gz GISOZMFHGGSRJX-UHFFFAOYSA-N -1 0 403.416 2.297 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCCOC1 ZINC000762252741 939073926 /nfs/dbraw/zinc/07/39/26/939073926.db2.gz KWPJAXZUNANDQK-MADCSZMMSA-N -1 0 405.176 2.106 20 5 HEBDRM CC1CCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)cc2[N+](=O)[O-])CC1 ZINC000432122956 939180349 /nfs/dbraw/zinc/18/03/49/939180349.db2.gz RHPNTLXXKDBIRT-CRAIPNDOSA-N -1 0 405.451 2.441 20 5 HEBDRM 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CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 ZINC000770116454 1078736941 /nfs/dbraw/zinc/73/69/41/1078736941.db2.gz WQEKVJMASXVIOS-UHFFFAOYSA-N -1 0 410.496 2.292 20 5 HEBDRM CC(C)CN(CCC(=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000746388410 1078891095 /nfs/dbraw/zinc/89/10/95/1078891095.db2.gz UFWNGBILQJOCMD-UHFFFAOYSA-N -1 0 409.258 2.479 20 5 HEBDRM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc43)cc21 ZINC000766368831 1078926479 /nfs/dbraw/zinc/92/64/79/1078926479.db2.gz INVZKOZOWMYYDK-UHFFFAOYSA-N -1 0 414.399 2.299 20 5 HEBDRM CC(C)NC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770728520 1078953878 /nfs/dbraw/zinc/95/38/78/1078953878.db2.gz SHBNBEFPGREFFR-UHFFFAOYSA-N -1 0 424.410 2.383 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc2c(c1)CCCC(=O)N2 ZINC000770766814 1078986540 /nfs/dbraw/zinc/98/65/40/1078986540.db2.gz LZWOVEFNNZYSJP-UHFFFAOYSA-N -1 0 407.379 2.127 20 5 HEBDRM Cc1nn(CC(C)C)c(C)c1CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770772745 1078990837 /nfs/dbraw/zinc/99/08/37/1078990837.db2.gz PBIINWDBPDSHEX-UHFFFAOYSA-N -1 0 412.443 2.251 20 5 HEBDRM O=C(/C=C/c1cnc2ccccc2n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774293 1078991183 /nfs/dbraw/zinc/99/11/83/1078991183.db2.gz ZKGGRHOFFIUBCS-VMPITWQZSA-N -1 0 402.363 2.195 20 5 HEBDRM O=C(CCc1nnc(-c2ccccc2)o1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774149 1078991617 /nfs/dbraw/zinc/99/16/17/1078991617.db2.gz BDHLTXXYGIIQMQ-UHFFFAOYSA-N -1 0 420.378 2.222 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)n1cccn1 ZINC000770773670 1078991947 /nfs/dbraw/zinc/99/19/47/1078991947.db2.gz VAOMZOWDRHEWCR-MRXNPFEDSA-N -1 0 404.379 2.025 20 5 HEBDRM COc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770775454 1078992162 /nfs/dbraw/zinc/99/21/62/1078992162.db2.gz MYUJFVOSQREHAH-UHFFFAOYSA-N -1 0 420.378 2.047 20 5 HEBDRM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770775321 1078992772 /nfs/dbraw/zinc/99/27/72/1078992772.db2.gz KQGDBIFNPZAPGG-YGRLFVJLSA-N -1 0 421.406 2.447 20 5 HEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)c([N+](=O)[O-])cc1OC(F)F ZINC000766451584 1079008462 /nfs/dbraw/zinc/00/84/62/1079008462.db2.gz PRHOGGFXXXCKIZ-UHFFFAOYSA-N -1 0 408.360 2.385 20 5 HEBDRM Cc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770747290 1079002928 /nfs/dbraw/zinc/00/29/28/1079002928.db2.gz NZHBELCIPWEZIE-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc2c1O[C@H](C)C2 ZINC000770776906 1079008887 /nfs/dbraw/zinc/00/88/87/1079008887.db2.gz WVWLZKKCNDAOLI-SECBINFHSA-N -1 0 410.379 2.185 20 5 HEBDRM CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000770750052 1079005027 /nfs/dbraw/zinc/00/50/27/1079005027.db2.gz TVQMGRMNMSAHFV-PRHODGIISA-N -1 0 407.242 2.120 20 5 HEBDRM COc1ccc(-n2nc(C(=O)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C)cc1 ZINC000771252473 1079244473 /nfs/dbraw/zinc/24/44/73/1079244473.db2.gz HRWOQBBGRNCHQA-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000766872312 1079468414 /nfs/dbraw/zinc/46/84/14/1079468414.db2.gz IJJKBJDYXPFMPE-NXEZZACHSA-N -1 0 401.322 2.016 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Oc2cnccn2)c1 ZINC000737314992 1075906309 /nfs/dbraw/zinc/90/63/09/1075906309.db2.gz OABPUMUJZRXYDH-UHFFFAOYSA-N -1 0 400.372 2.296 20 5 HEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccccc1F ZINC000771779879 1079501745 /nfs/dbraw/zinc/50/17/45/1079501745.db2.gz IIWFNENQRVHELW-HNNXBMFYSA-N -1 0 400.359 2.374 20 5 HEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)c([N+](=O)[O-])c1 ZINC000739675157 1076071365 /nfs/dbraw/zinc/07/13/65/1076071365.db2.gz XSHIFMZQZCEFEZ-AWEZNQCLSA-N -1 0 409.376 2.472 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(OCC(F)(F)F)n1 ZINC000740531464 1076187837 /nfs/dbraw/zinc/18/78/37/1076187837.db2.gz VCGQNRRZUOOIBA-UHFFFAOYSA-N -1 0 423.300 2.189 20 5 HEBDRM Cc1cccc2c(CC(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c[nH]c21 ZINC000741435416 1076527133 /nfs/dbraw/zinc/52/71/33/1076527133.db2.gz JMORUXQBWJWGBY-UHFFFAOYSA-N -1 0 418.387 2.340 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nc4n(c(=O)c3c2)CCC4)cc1[N+](=O)[O-] ZINC000742029024 1076725118 /nfs/dbraw/zinc/72/51/18/1076725118.db2.gz VACYTZZSRXXXTR-UHFFFAOYSA-N -1 0 418.406 2.499 20 5 HEBDRM CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000742231043 1076801916 /nfs/dbraw/zinc/80/19/16/1076801916.db2.gz HXLDEGZXQVJRKK-UHFFFAOYSA-N -1 0 406.420 2.193 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744039744 1077311010 /nfs/dbraw/zinc/31/10/10/1077311010.db2.gz FKBHYNNLMVUHGM-CABCVRRESA-N -1 0 422.390 2.114 20 5 HEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000744207799 1077340020 /nfs/dbraw/zinc/34/00/20/1077340020.db2.gz QALZIFQPDCYQBD-UHFFFAOYSA-N -1 0 405.432 2.322 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744256928 1077350575 /nfs/dbraw/zinc/35/05/75/1077350575.db2.gz LEFCKLYFSPRDID-UHFFFAOYSA-N -1 0 408.342 2.177 20 5 HEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1[N+](=O)[O-] ZINC000744259509 1077353210 /nfs/dbraw/zinc/35/32/10/1077353210.db2.gz YGUNMUMRVDSFDC-UHFFFAOYSA-N -1 0 420.378 2.047 20 5 HEBDRM O=C([N-]S(=O)(=O)CCOc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000744297039 1077360159 /nfs/dbraw/zinc/36/01/59/1077360159.db2.gz HNAPWSYFTRXODF-UHFFFAOYSA-N -1 0 419.459 2.334 20 5 HEBDRM O=C(CCCNc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744298874 1077364017 /nfs/dbraw/zinc/36/40/17/1077364017.db2.gz BTCLHFAWWXFABE-UHFFFAOYSA-N -1 0 407.448 2.312 20 5 HEBDRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000766969405 1079564575 /nfs/dbraw/zinc/56/45/75/1079564575.db2.gz STJJVCJXJGIBLP-CQSZACIVSA-N -1 0 413.496 2.317 20 5 HEBDRM CN(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000767046263 1079603664 /nfs/dbraw/zinc/60/36/64/1079603664.db2.gz KFSNRNQEQARACC-UHFFFAOYSA-N -1 0 412.355 2.145 20 5 HEBDRM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000767127598 1079693285 /nfs/dbraw/zinc/69/32/85/1079693285.db2.gz XQSDXRPMKCTWGB-UHFFFAOYSA-N -1 0 415.402 2.456 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1ccccc1[N+](=O)[O-] ZINC000772652784 1080013383 /nfs/dbraw/zinc/01/33/83/1080013383.db2.gz NVAXJZJEUHWFKH-UHFFFAOYSA-N -1 0 418.406 2.223 20 5 HEBDRM O=C(OCCO)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000785548629 1080053837 /nfs/dbraw/zinc/05/38/37/1080053837.db2.gz ZYPXFCOKLVMFDR-UHFFFAOYSA-N -1 0 400.796 2.198 20 5 HEBDRM COCc1c(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000767955967 1080250158 /nfs/dbraw/zinc/25/01/58/1080250158.db2.gz RKDZTWFFZCDLJX-UHFFFAOYSA-N -1 0 416.415 2.046 20 5 HEBDRM CC(=O)Nc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000768172777 1080383784 /nfs/dbraw/zinc/38/37/84/1080383784.db2.gz DWIXPVMMHQNWHP-UHFFFAOYSA-N -1 0 403.825 2.387 20 5 HEBDRM CC(=O)CCN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000768347263 1080523977 /nfs/dbraw/zinc/52/39/77/1080523977.db2.gz RTVPCKKCXDJTEV-UHFFFAOYSA-N -1 0 405.432 2.447 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786454611 1080636986 /nfs/dbraw/zinc/63/69/86/1080636986.db2.gz OHKPVSLJEQJJKE-UHFFFAOYSA-N -1 0 407.448 2.490 20 5 HEBDRM CSC1(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000786467179 1080645117 /nfs/dbraw/zinc/64/51/17/1080645117.db2.gz YSYNQHDGKCNYGX-UHFFFAOYSA-N -1 0 409.283 2.448 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1csc(-c2ncccc2F)n1 ZINC000768800649 1080778824 /nfs/dbraw/zinc/77/88/24/1080778824.db2.gz XXAJFPFQEXQRTI-UHFFFAOYSA-N -1 0 414.421 2.433 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cnn(CC(C)C)c2C2CC2)ccc1[N+](=O)[O-] ZINC000768807819 1080786303 /nfs/dbraw/zinc/78/63/03/1080786303.db2.gz REWBSZTYRALIMX-UHFFFAOYSA-N -1 0 422.463 2.452 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000786766235 1080808240 /nfs/dbraw/zinc/80/82/40/1080808240.db2.gz NUPCHCPHCYSOKK-ZDUSSCGKSA-N -1 0 405.329 2.088 20 5 HEBDRM C[C@]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000768844976 1080821982 /nfs/dbraw/zinc/82/19/82/1080821982.db2.gz BUDXHFMQXSCVEX-CYBMUJFWSA-N -1 0 423.394 2.354 20 5 HEBDRM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1S(=O)(=O)NC1CC1 ZINC000768886385 1080832643 /nfs/dbraw/zinc/83/26/43/1080832643.db2.gz CMPXCWRXIOBSDL-UHFFFAOYSA-N -1 0 417.490 2.206 20 5 HEBDRM CC(C)n1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000786955137 1080891754 /nfs/dbraw/zinc/89/17/54/1080891754.db2.gz YYSDWHLYHIIRFA-UHFFFAOYSA-N -1 0 417.241 2.253 20 5 HEBDRM O=C(N[C@@H](CCO)C1CC1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769409258 1081065854 /nfs/dbraw/zinc/06/58/54/1081065854.db2.gz BINSTAOHUKACSE-SFHVURJKSA-N -1 0 419.459 2.286 20 5 HEBDRM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2cc(F)ccc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000766961560 939082153 /nfs/dbraw/zinc/08/21/53/939082153.db2.gz OVZROLIKUALDND-MRXNPFEDSA-N -1 0 417.328 2.318 20 5 HEBDRM Cc1c(C(=O)N[C@H](C(=O)[O-])c2cc(F)ccc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000766961558 939082202 /nfs/dbraw/zinc/08/22/02/939082202.db2.gz OVZROLIKUALDND-INIZCTEOSA-N -1 0 417.328 2.318 20 5 HEBDRM CCO[C@@H]1C[C@](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)(C(=O)[O-])C1(C)C ZINC000439698144 939188212 /nfs/dbraw/zinc/18/82/12/939188212.db2.gz RJSZANZRZKJKNQ-BEFAXECRSA-N -1 0 402.407 2.169 20 5 HEBDRM CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699895 939189185 /nfs/dbraw/zinc/18/91/85/939189185.db2.gz VXRXFXLKNIESTR-DNVCBOLYSA-N -1 0 402.407 2.169 20 5 HEBDRM COc1ccc([C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1F ZINC000567179149 939360391 /nfs/dbraw/zinc/36/03/91/939360391.db2.gz ARSXOTPQQYZACA-INIZCTEOSA-N -1 0 407.354 2.246 20 5 HEBDRM C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000770115570 1078736474 /nfs/dbraw/zinc/73/64/74/1078736474.db2.gz OMXLFMUMQRUZCX-ZIAGYGMSSA-N -1 0 410.496 2.148 20 5 HEBDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770123333 1078739843 /nfs/dbraw/zinc/73/98/43/1078739843.db2.gz DJVVFVCRTDHUEU-KBPBESRZSA-N -1 0 412.512 2.392 20 5 HEBDRM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000770280701 1078805763 /nfs/dbraw/zinc/80/57/63/1078805763.db2.gz MUXFUXZWWLWBHZ-SECBINFHSA-N -1 0 412.251 2.411 20 5 HEBDRM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)c(Cl)s1 ZINC000770632654 1078906012 /nfs/dbraw/zinc/90/60/12/1078906012.db2.gz DJKNFQPOXPXFSR-UHFFFAOYSA-N -1 0 411.870 2.096 20 5 HEBDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746413380 1078912337 /nfs/dbraw/zinc/91/23/37/1078912337.db2.gz YVXPWGICRJZQNS-QWRGUYRKSA-N -1 0 406.844 2.027 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000746413359 1078912394 /nfs/dbraw/zinc/91/23/94/1078912394.db2.gz XQJQTUIXSAYRNS-RYUDHWBXSA-N -1 0 420.871 2.336 20 5 HEBDRM O=C(COc1ccc(F)c(Cl)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770768056 1078987114 /nfs/dbraw/zinc/98/71/14/1078987114.db2.gz QUKGJWUNZXVOHA-UHFFFAOYSA-N -1 0 406.750 2.410 20 5 HEBDRM COc1cccc(CO[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770768701 1078988319 /nfs/dbraw/zinc/98/83/19/1078988319.db2.gz VAADGQSTZQFAQF-NSHDSACASA-N -1 0 412.395 2.153 20 5 HEBDRM C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770771234 1078988948 /nfs/dbraw/zinc/98/89/48/1078988948.db2.gz DOWCDNOEXXNMIZ-LLVKDONJSA-N -1 0 419.390 2.054 20 5 HEBDRM CC(C)NC(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770772516 1078989709 /nfs/dbraw/zinc/98/97/09/1078989709.db2.gz KUQARNHAWXBGCR-UHFFFAOYSA-N -1 0 424.410 2.383 20 5 HEBDRM CC(C)(C)OC(=O)NCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770773001 1078990845 /nfs/dbraw/zinc/99/08/45/1078990845.db2.gz NTVSQLBYXGFIGL-UHFFFAOYSA-N -1 0 419.431 2.090 20 5 HEBDRM CC1(C)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000770774181 1078991046 /nfs/dbraw/zinc/99/10/46/1078991046.db2.gz BLHZRYVUSJQUCI-UHFFFAOYSA-N -1 0 407.379 2.082 20 5 HEBDRM CC(C)Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cnc21 ZINC000770773972 1078991579 /nfs/dbraw/zinc/99/15/79/1078991579.db2.gz YGXLMMOIHDRSKZ-UHFFFAOYSA-N -1 0 421.410 2.253 20 5 HEBDRM CCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1 ZINC000770747122 1079002851 /nfs/dbraw/zinc/00/28/51/1079002851.db2.gz MXARNVLNSVNNIJ-UHFFFAOYSA-N -1 0 420.266 2.495 20 5 HEBDRM CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000770750050 1079005124 /nfs/dbraw/zinc/00/51/24/1079005124.db2.gz TVQMGRMNMSAHFV-PELKAZGASA-N -1 0 407.242 2.120 20 5 HEBDRM Cc1ncccc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749698 1079005404 /nfs/dbraw/zinc/00/54/04/1079005404.db2.gz WKRQSYFCVLEFNK-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770818616 1079031492 /nfs/dbraw/zinc/03/14/92/1079031492.db2.gz KOLBKCNBFYACKJ-LLVKDONJSA-N -1 0 421.859 2.356 20 5 HEBDRM Cc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770891560 1079065097 /nfs/dbraw/zinc/06/50/97/1079065097.db2.gz GFFDXBZEZZADQD-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000766844671 1079434983 /nfs/dbraw/zinc/43/49/83/1079434983.db2.gz YBWJTUMPXRKKMN-UHFFFAOYSA-N -1 0 422.369 2.486 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc(F)cc3F)n2)ccc1[N+](=O)[O-] ZINC000766866725 1079460578 /nfs/dbraw/zinc/46/05/78/1079460578.db2.gz LVHOVSPBSHEFNQ-UHFFFAOYSA-N -1 0 422.369 2.486 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000766887635 1079478569 /nfs/dbraw/zinc/47/85/69/1079478569.db2.gz BJWYRKAUPGETNX-UHFFFAOYSA-N -1 0 400.210 2.012 20 5 HEBDRM O=C1C[C@H](Cc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C(=O)N1 ZINC000739674705 1076071658 /nfs/dbraw/zinc/07/16/58/1076071658.db2.gz SCXQZBLBLYDLEI-NSHDSACASA-N -1 0 423.834 2.254 20 5 HEBDRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000740539215 1076188485 /nfs/dbraw/zinc/18/84/85/1076188485.db2.gz PJAIPVUZLGYWLQ-UHFFFAOYSA-N -1 0 420.443 2.305 20 5 HEBDRM O=C(CCCc1nc(C2CC2)no1)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000740523715 1076204793 /nfs/dbraw/zinc/20/47/93/1076204793.db2.gz PSGGXWZKQIAVBL-UHFFFAOYSA-N -1 0 414.827 2.336 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C(=O)Nc3ccccc32)cc([N+](=O)[O-])c1C ZINC000741108792 1076361401 /nfs/dbraw/zinc/36/14/01/1076361401.db2.gz HRDFNEUNPJBINQ-AWEZNQCLSA-N -1 0 403.416 2.143 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2csc(-c3cnccn3)n2)cc([N+](=O)[O-])c1C ZINC000741109455 1076362630 /nfs/dbraw/zinc/36/26/30/1076362630.db2.gz YEKMYMLLLAHQNO-UHFFFAOYSA-N -1 0 419.444 2.244 20 5 HEBDRM CC(C)[C@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1nncn1C ZINC000804261084 1076443364 /nfs/dbraw/zinc/44/33/64/1076443364.db2.gz MCDLXIYLKJPVDP-AWEZNQCLSA-N -1 0 419.829 2.395 20 5 HEBDRM CC(C)[C@@H](NC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-])c1nncn1C ZINC000804261085 1076449808 /nfs/dbraw/zinc/44/98/08/1076449808.db2.gz MCDLXIYLKJPVDP-CQSZACIVSA-N -1 0 419.829 2.395 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000741747926 1076616497 /nfs/dbraw/zinc/61/64/97/1076616497.db2.gz IDYQTPWFLFYAGS-UHFFFAOYSA-N -1 0 401.803 2.407 20 5 HEBDRM CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3OC)cc21 ZINC000742231532 1076802454 /nfs/dbraw/zinc/80/24/54/1076802454.db2.gz YWYQJLONVOKIPL-UHFFFAOYSA-N -1 0 420.447 2.496 20 5 HEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000742286038 1076815995 /nfs/dbraw/zinc/81/59/95/1076815995.db2.gz WPTVYNVWJWKXNA-MNOVXSKESA-N -1 0 410.279 2.043 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744008974 1077303026 /nfs/dbraw/zinc/30/30/26/1077303026.db2.gz ITFKAMMMTQOOCL-CVEARBPZSA-N -1 0 418.427 2.116 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744039751 1077311319 /nfs/dbraw/zinc/31/13/19/1077311319.db2.gz FKBHYNNLMVUHGM-LSDHHAIUSA-N -1 0 422.390 2.114 20 5 HEBDRM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744041662 1077312093 /nfs/dbraw/zinc/31/20/93/1077312093.db2.gz WYVSRXQMNRLBQS-UHFFFAOYSA-N -1 0 404.807 2.363 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000744088173 1077316515 /nfs/dbraw/zinc/31/65/15/1077316515.db2.gz ZZFVROIUZISZSU-KSSFIOAISA-N -1 0 417.399 2.212 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000744288980 1077355869 /nfs/dbraw/zinc/35/58/69/1077355869.db2.gz AEFUEIYLAHIJQG-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000766322404 1077577780 /nfs/dbraw/zinc/57/77/80/1077577780.db2.gz PFWJGAAPWWIXDB-UHFFFAOYSA-N -1 0 406.420 2.329 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(F)c(F)c1 ZINC000744938116 1077680567 /nfs/dbraw/zinc/68/05/67/1077680567.db2.gz JSOXYPWZZMGTEB-SNVBAGLBSA-N -1 0 400.359 2.454 20 5 HEBDRM CC(=O)CCc1ccc(OCC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000745312520 1077806237 /nfs/dbraw/zinc/80/62/37/1077806237.db2.gz NDOLYEKKSCDMOO-UHFFFAOYSA-N -1 0 420.443 2.141 20 5 HEBDRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000766966484 1079561239 /nfs/dbraw/zinc/56/12/39/1079561239.db2.gz GBYQHRHLHRSHMF-UHFFFAOYSA-N -1 0 413.496 2.317 20 5 HEBDRM COCCCCS(=O)(=O)[N-]C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000766969404 1079564139 /nfs/dbraw/zinc/56/41/39/1079564139.db2.gz STJJVCJXJGIBLP-AWEZNQCLSA-N -1 0 413.496 2.317 20 5 HEBDRM CC[C@@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1=O ZINC000767552754 1079927192 /nfs/dbraw/zinc/92/71/92/1079927192.db2.gz XSGLNHONUWDPFU-INIZCTEOSA-N -1 0 424.460 2.015 20 5 HEBDRM O=C(/C=C\c1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000772653972 1080013457 /nfs/dbraw/zinc/01/34/57/1080013457.db2.gz XMHKLSNGACBWHP-KXFIGUGUSA-N -1 0 412.767 2.070 20 5 HEBDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)nn1-c1ccccc1 ZINC000772653536 1080014017 /nfs/dbraw/zinc/01/40/17/1080014017.db2.gz WVMHYMAFUOHVGN-UHFFFAOYSA-N -1 0 415.431 2.418 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2ccccc2)cc1[N+](=O)[O-] ZINC000786425481 1080596084 /nfs/dbraw/zinc/59/60/84/1080596084.db2.gz RWJRMQCOONGOQR-CQSZACIVSA-N -1 0 424.866 2.304 20 5 HEBDRM O=C(OCCC1OCCO1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000768507318 1080596878 /nfs/dbraw/zinc/59/68/78/1080596878.db2.gz BCEUFSZUMARFST-UHFFFAOYSA-N -1 0 422.415 2.315 20 5 HEBDRM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786531252 1080649283 /nfs/dbraw/zinc/64/92/83/1080649283.db2.gz VLCOCJBCUCJYTI-CYBMUJFWSA-N -1 0 408.432 2.268 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1csc(-c2ncccc2F)n1 ZINC000768771040 1080789844 /nfs/dbraw/zinc/78/98/44/1080789844.db2.gz MEMWCVRQTMWSIT-UHFFFAOYSA-N -1 0 408.392 2.371 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000768777029 1080792331 /nfs/dbraw/zinc/79/23/31/1080792331.db2.gz JFJFKHIEILRFSA-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1cccs1 ZINC000768780422 1080794058 /nfs/dbraw/zinc/79/40/58/1080794058.db2.gz VBVOBGRZVXKOAZ-UHFFFAOYSA-N -1 0 406.445 2.484 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CC1(Cl)Cl ZINC000768787186 1080797811 /nfs/dbraw/zinc/79/78/11/1080797811.db2.gz VZEFVIKDDJJDGX-LURJTMIESA-N -1 0 418.052 2.356 20 5 HEBDRM Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000786778229 1080819149 /nfs/dbraw/zinc/81/91/49/1080819149.db2.gz RCDVSVJFHHRIEV-LBPRGKRZSA-N -1 0 405.329 2.088 20 5 HEBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000768899982 1080839290 /nfs/dbraw/zinc/83/92/90/1080839290.db2.gz KNHFLRRBULCZPW-QGZVFWFLSA-N -1 0 424.406 2.170 20 5 HEBDRM CC(=O)N1CCN(Cc2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768862381 1080842933 /nfs/dbraw/zinc/84/29/33/1080842933.db2.gz WKTZFUGMDWHZQF-UHFFFAOYSA-N -1 0 424.504 2.121 20 5 HEBDRM CC(C)[C@@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000769465217 1081088283 /nfs/dbraw/zinc/08/82/83/1081088283.db2.gz TZMSPIUMQRVHPF-MRXNPFEDSA-N -1 0 422.415 2.202 20 5 HEBDRM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-] ZINC000746369695 939063746 /nfs/dbraw/zinc/06/37/46/939063746.db2.gz VZZCRWAPSUTVSB-KRWDZBQOSA-N -1 0 415.381 2.431 20 5 HEBDRM O=C([O-])[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000766962318 939083296 /nfs/dbraw/zinc/08/32/96/939083296.db2.gz USZVWTSDHMMNJO-OAHLLOKOSA-N -1 0 403.301 2.009 20 5 HEBDRM Cc1ccc(NC(=O)N[C@](C)(C(=O)[O-])c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000514772347 939238115 /nfs/dbraw/zinc/23/81/15/939238115.db2.gz BLGVSEZCJWSBPP-SFHVURJKSA-N -1 0 421.431 2.428 20 5 HEBDRM Cc1c(C(=O)N[C@]2(C(=O)[O-])CCc3ccccc32)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000610845877 939807685 /nfs/dbraw/zinc/80/76/85/939807685.db2.gz CXBUQLMVXUWYEF-HXUWFJFHSA-N -1 0 407.386 2.140 20 5 HEBDRM O=C([O-])[C@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1F ZINC000611464063 939809184 /nfs/dbraw/zinc/80/91/84/939809184.db2.gz VAORWEIPNKCCDX-OAHLLOKOSA-N -1 0 409.757 2.059 20 5 HEBDRM Cc1nc([N+](=O)[O-])cn1CCC(=O)[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1C ZINC000769771577 1078548106 /nfs/dbraw/zinc/54/81/06/1078548106.db2.gz UOTUAMUDEDHWCP-UHFFFAOYSA-N -1 0 420.369 2.322 20 5 HEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc2[N+](=O)[O-])C1 ZINC000770141869 1078745377 /nfs/dbraw/zinc/74/53/77/1078745377.db2.gz PTSFMHIGYJCPCA-BETUJISGSA-N -1 0 422.463 2.325 20 5 HEBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)CCCF)cc2[N+](=O)[O-])C1 ZINC000770141516 1078745410 /nfs/dbraw/zinc/74/54/10/1078745410.db2.gz LOVLAEXBRSRKMK-STQMWFEESA-N -1 0 401.460 2.496 20 5 HEBDRM COc1ccc2nc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])c(OC)c3)ccc2c1 ZINC000770148867 1078747452 /nfs/dbraw/zinc/74/74/52/1078747452.db2.gz FBXZLWGTRIXFDE-UHFFFAOYSA-N -1 0 417.399 2.279 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc1C ZINC000770198925 1078755648 /nfs/dbraw/zinc/75/56/48/1078755648.db2.gz RPGZTHLVGRALGG-UHFFFAOYSA-N -1 0 421.460 2.362 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000746413356 1078912327 /nfs/dbraw/zinc/91/23/27/1078912327.db2.gz XQJQTUIXSAYRNS-NWDGAFQWSA-N -1 0 420.871 2.336 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Oc2cnccn2)c1 ZINC000770771821 1078990059 /nfs/dbraw/zinc/99/00/59/1078990059.db2.gz GMSSENGLNLDMOJ-UHFFFAOYSA-N -1 0 418.362 2.435 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(Nc2ncccn2)c1 ZINC000770773640 1078992118 /nfs/dbraw/zinc/99/21/18/1078992118.db2.gz SYYZDTKDTOOLJH-UHFFFAOYSA-N -1 0 417.378 2.386 20 5 HEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)c1[N+](=O)[O-] ZINC000770736904 1078996556 /nfs/dbraw/zinc/99/65/56/1078996556.db2.gz YZXSJHSKXPHMCI-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM Cc1cncc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000770744630 1079002063 /nfs/dbraw/zinc/00/20/63/1079002063.db2.gz CBLWOYONMYKZJI-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM Cc1ncsc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770745688 1079002893 /nfs/dbraw/zinc/00/28/93/1079002893.db2.gz HUYPDHQJOXBHSK-UHFFFAOYSA-N -1 0 406.239 2.241 20 5 HEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)c1 ZINC000770809591 1079029165 /nfs/dbraw/zinc/02/91/65/1079029165.db2.gz UWJCXIJZWVFFOO-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000770871701 1079034931 /nfs/dbraw/zinc/03/49/31/1079034931.db2.gz OFCGNJXROPYAEW-GFCCVEGCSA-N -1 0 401.441 2.011 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2cccc([S@](C)=O)c2)cc1[N+](=O)[O-] ZINC000770835743 1079053441 /nfs/dbraw/zinc/05/34/41/1079053441.db2.gz QYARMSHCOKLUKT-VWLOTQADSA-N -1 0 416.864 2.413 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2nn(-c3ccccc3)cc2C)ccc1[N+](=O)[O-] ZINC000770891591 1079065177 /nfs/dbraw/zinc/06/51/77/1079065177.db2.gz QZDRTGFAYLAYLX-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM Cc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000770908982 1079074161 /nfs/dbraw/zinc/07/41/61/1079074161.db2.gz MKXIMTPRJAPUGH-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1F ZINC000766628082 1079203894 /nfs/dbraw/zinc/20/38/94/1079203894.db2.gz APHCIVZSKNMMNC-UHFFFAOYSA-N -1 0 401.303 2.208 20 5 HEBDRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000737339658 1075959431 /nfs/dbraw/zinc/95/94/31/1075959431.db2.gz UCQLEDGMXRLZPE-UHFFFAOYSA-N -1 0 411.823 2.069 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cnn(-c3ccc(F)cc3)n2)cc([N+](=O)[O-])c1C ZINC000739137455 1076049571 /nfs/dbraw/zinc/04/95/71/1076049571.db2.gz CFGSXFNUSJWYMC-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000740531454 1076187972 /nfs/dbraw/zinc/18/79/72/1076187972.db2.gz UQJNHVVHGLWUKO-UHFFFAOYSA-N -1 0 411.367 2.425 20 5 HEBDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740545397 1076189915 /nfs/dbraw/zinc/18/99/15/1076189915.db2.gz JTRGFFBHHWTAPX-UHFFFAOYSA-N -1 0 406.416 2.164 20 5 HEBDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000740558796 1076193615 /nfs/dbraw/zinc/19/36/15/1076193615.db2.gz UPZYASOZOGBERN-UHFFFAOYSA-N -1 0 407.470 2.155 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCCc2nc(C3CC3)no2)cc([N+](=O)[O-])c1C ZINC000740525838 1076205908 /nfs/dbraw/zinc/20/59/08/1076205908.db2.gz XGTNEVMWXACZKD-UHFFFAOYSA-N -1 0 408.436 2.300 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H]2C(=O)Nc3ccccc32)cc([N+](=O)[O-])c1C ZINC000741108793 1076361545 /nfs/dbraw/zinc/36/15/45/1076361545.db2.gz HRDFNEUNPJBINQ-CQSZACIVSA-N -1 0 403.416 2.143 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000741110196 1076363196 /nfs/dbraw/zinc/36/31/96/1076363196.db2.gz OTYPUIFSIATAFO-LBPRGKRZSA-N -1 0 423.834 2.488 20 5 HEBDRM CC(C)(C)OC(=O)NC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000741258470 1076447082 /nfs/dbraw/zinc/44/70/82/1076447082.db2.gz CQQWKZATQUIROK-GFCCVEGCSA-N -1 0 403.432 2.316 20 5 HEBDRM Cc1onc(-c2ccccn2)c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000766275793 1076582073 /nfs/dbraw/zinc/58/20/73/1076582073.db2.gz CRQAKXUSCCVNBM-UHFFFAOYSA-N -1 0 402.388 2.380 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742028578 1076723452 /nfs/dbraw/zinc/72/34/52/1076723452.db2.gz TYXCLLJFDBXSCH-UHFFFAOYSA-N -1 0 423.831 2.144 20 5 HEBDRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 ZINC000742030067 1076726402 /nfs/dbraw/zinc/72/64/02/1076726402.db2.gz RPIOIYYGBXZIJZ-LLVKDONJSA-N -1 0 420.399 2.133 20 5 HEBDRM COC(=O)C(C)(C)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804262631 1076927026 /nfs/dbraw/zinc/92/70/26/1076927026.db2.gz WHOWMKCNUZWZEK-UHFFFAOYSA-N -1 0 410.814 2.459 20 5 HEBDRM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCCNC2=O)c1 ZINC000743263558 1077017584 /nfs/dbraw/zinc/01/75/84/1077017584.db2.gz JJPBNSKYRNWMAY-UHFFFAOYSA-N -1 0 406.420 2.324 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc([N+](=O)[O-])c1 ZINC000743267069 1077018721 /nfs/dbraw/zinc/01/87/21/1077018721.db2.gz ZJHHVPUDETUFHH-UHFFFAOYSA-N -1 0 411.348 2.099 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000743463354 1077056118 /nfs/dbraw/zinc/05/61/18/1077056118.db2.gz WIXMOBUIBPYRSU-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM CC(C)(C)C(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000744001804 1077288304 /nfs/dbraw/zinc/28/83/04/1077288304.db2.gz LTXQYGDQDOHQNI-UHFFFAOYSA-N -1 0 419.459 2.376 20 5 HEBDRM O=C(Cc1ccc(NC(=O)C2CC2)cc1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744039507 1077311285 /nfs/dbraw/zinc/31/12/85/1077311285.db2.gz CFJUKHGOXSMVAV-UHFFFAOYSA-N -1 0 421.406 2.130 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744039748 1077311301 /nfs/dbraw/zinc/31/13/01/1077311301.db2.gz FKBHYNNLMVUHGM-HUUCEWRRSA-N -1 0 422.390 2.114 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccc(OC2CCOCC2)cc1 ZINC000744041390 1077312372 /nfs/dbraw/zinc/31/23/72/1077312372.db2.gz SZZBUEUBIUVCPM-UHFFFAOYSA-N -1 0 424.406 2.410 20 5 HEBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000744256784 1077350625 /nfs/dbraw/zinc/35/06/25/1077350625.db2.gz FTJPNJOKGNDMFJ-UHFFFAOYSA-N -1 0 420.378 2.047 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000766317534 1077431736 /nfs/dbraw/zinc/43/17/36/1077431736.db2.gz DTVDIHLEMWODKT-UHFFFAOYSA-N -1 0 407.404 2.362 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC ZINC000745294986 1077801431 /nfs/dbraw/zinc/80/14/31/1077801431.db2.gz XJHRWYLZODHKEU-UHFFFAOYSA-N -1 0 412.445 2.453 20 5 HEBDRM CC(=O)CCc1ccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000745311954 1077803371 /nfs/dbraw/zinc/80/33/71/1077803371.db2.gz CUDVMCSFLBIGPT-AWEZNQCLSA-N -1 0 420.443 2.389 20 5 HEBDRM CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000767441975 1079849221 /nfs/dbraw/zinc/84/92/21/1079849221.db2.gz CTGSSDOVSQRSEZ-UHFFFAOYSA-N -1 0 407.235 2.316 20 5 HEBDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000767502250 1079893042 /nfs/dbraw/zinc/89/30/42/1079893042.db2.gz SMDZYMGAYBJFHK-UHFFFAOYSA-N -1 0 421.479 2.481 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CN2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000772632192 1079990741 /nfs/dbraw/zinc/99/07/41/1079990741.db2.gz HTJOEIJBDCBMHK-UHFFFAOYSA-N -1 0 409.851 2.424 20 5 HEBDRM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)c1 ZINC000786099548 1080394092 /nfs/dbraw/zinc/39/40/92/1080394092.db2.gz QECTUYHKYNXBOO-UHFFFAOYSA-N -1 0 422.415 2.288 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2c2ccccc2)c([N+](=O)[O-])c1 ZINC000786273386 1080521435 /nfs/dbraw/zinc/52/14/35/1080521435.db2.gz PISYWSFNUPOVKV-OAHLLOKOSA-N -1 0 405.432 2.077 20 5 HEBDRM O=C([N-]S(=O)(=O)[C@H]1CCOC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786418959 1080593080 /nfs/dbraw/zinc/59/30/80/1080593080.db2.gz YJEYBAMYCWMAFJ-HNNXBMFYSA-N -1 0 406.416 2.022 20 5 HEBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000786521019 1080646991 /nfs/dbraw/zinc/64/69/91/1080646991.db2.gz TXWVRHJUEYZDMT-UHFFFAOYSA-N -1 0 417.443 2.078 20 5 HEBDRM O=C(/C=C\C1CCOCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786711 1080798293 /nfs/dbraw/zinc/79/82/93/1080798293.db2.gz RRSDITHFKPITKB-RJRFIUFISA-N -1 0 419.253 2.145 20 5 HEBDRM O=C(NC1CCOCC1)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768887212 1080832689 /nfs/dbraw/zinc/83/26/89/1080832689.db2.gz GNCDGCIVGOTXRY-UHFFFAOYSA-N -1 0 411.461 2.366 20 5 HEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc2c(c1)CCO2 ZINC000768899974 1080839348 /nfs/dbraw/zinc/83/93/48/1080839348.db2.gz KNHFLRRBULCZPW-KRWDZBQOSA-N -1 0 424.406 2.170 20 5 HEBDRM CC(C)N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768861557 1080842841 /nfs/dbraw/zinc/84/28/41/1080842841.db2.gz MOCMSPOKZRLWSS-UHFFFAOYSA-N -1 0 419.506 2.486 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000787007067 1080924591 /nfs/dbraw/zinc/92/45/91/1080924591.db2.gz OLHVTVUVMVKZQG-UHFFFAOYSA-N -1 0 412.395 2.186 20 5 HEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000786986306 1080941768 /nfs/dbraw/zinc/94/17/68/1080941768.db2.gz FOPAQGLGNLASCT-UHFFFAOYSA-N -1 0 403.416 2.297 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000787016973 1080948923 /nfs/dbraw/zinc/94/89/23/1080948923.db2.gz HHXFTRDHQNGEQT-UHFFFAOYSA-N -1 0 412.395 2.186 20 5 HEBDRM O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC000769187390 1080997972 /nfs/dbraw/zinc/99/79/72/1080997972.db2.gz BZGSJJTXISTXHJ-INIZCTEOSA-N -1 0 412.431 2.473 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000769298539 1081033548 /nfs/dbraw/zinc/03/35/48/1081033548.db2.gz MRYTUQLHXISSPT-UHFFFAOYSA-N -1 0 411.823 2.420 20 5 HEBDRM CC(C)[C@H](NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)[O-] ZINC000769465212 1081088118 /nfs/dbraw/zinc/08/81/18/1081088118.db2.gz TZMSPIUMQRVHPF-INIZCTEOSA-N -1 0 422.415 2.202 20 5 HEBDRM CCO[C@@H]1C[C@](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C ZINC000439698108 939188106 /nfs/dbraw/zinc/18/81/06/939188106.db2.gz XANKNGLOXXFECI-BEFAXECRSA-N -1 0 402.407 2.169 20 5 HEBDRM COc1cccc(S(=O)(=O)[N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000770436730 1078853816 /nfs/dbraw/zinc/85/38/16/1078853816.db2.gz MAZQWGLFYGWBQH-UHFFFAOYSA-N -1 0 415.221 2.485 20 5 HEBDRM CCC(CC)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000770437407 1078854240 /nfs/dbraw/zinc/85/42/40/1078854240.db2.gz TVEKQJUBFTXMJK-UHFFFAOYSA-N -1 0 411.396 2.179 20 5 HEBDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000746428634 1078939838 /nfs/dbraw/zinc/93/98/38/1078939838.db2.gz MEXZCLJZGBPHSH-UHFFFAOYSA-N -1 0 423.428 2.157 20 5 HEBDRM COc1cc(OCC(=O)[N-]S(=O)(=O)c2cc(C)sc2C)ccc1[N+](=O)[O-] ZINC000746433332 1078951383 /nfs/dbraw/zinc/95/13/83/1078951383.db2.gz YAOVGHMPOHYICB-UHFFFAOYSA-N -1 0 400.434 2.166 20 5 HEBDRM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770727653 1078954588 /nfs/dbraw/zinc/95/45/88/1078954588.db2.gz GMPYKVRKSKWTLQ-UHFFFAOYSA-N -1 0 404.807 2.363 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000770765073 1078984881 /nfs/dbraw/zinc/98/48/81/1078984881.db2.gz GFASMTHCVYLKIA-UHFFFAOYSA-N -1 0 408.323 2.242 20 5 HEBDRM COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)[nH]n2)cc1 ZINC000770765941 1078985433 /nfs/dbraw/zinc/98/54/33/1078985433.db2.gz HYAYFSUMYDHFBK-UHFFFAOYSA-N -1 0 420.378 2.251 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cncn1-c1ccc(F)cc1 ZINC000770768170 1078987093 /nfs/dbraw/zinc/98/70/93/1078987093.db2.gz SFIMIQZIYLHYRW-UHFFFAOYSA-N -1 0 408.342 2.177 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000770768218 1078987163 /nfs/dbraw/zinc/98/71/63/1078987163.db2.gz SWWLHABASFASLP-UHFFFAOYSA-N -1 0 417.374 2.412 20 5 HEBDRM CCn1cc(Br)cc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770771259 1078988967 /nfs/dbraw/zinc/98/89/67/1078988967.db2.gz DWRWPKLAVIEUTD-UHFFFAOYSA-N -1 0 420.216 2.437 20 5 HEBDRM O=C(Cc1cc2ccccc2[nH]c1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770773637 1078992106 /nfs/dbraw/zinc/99/21/06/1078992106.db2.gz SXKDKAZFDAWFIZ-UHFFFAOYSA-N -1 0 405.363 2.035 20 5 HEBDRM COc1ccc(-n2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)n2)cc1 ZINC000770774764 1078992481 /nfs/dbraw/zinc/99/24/81/1078992481.db2.gz FJYLMTSNBDWOHK-UHFFFAOYSA-N -1 0 420.378 2.047 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cn2cccn2)cc1 ZINC000770774751 1078992529 /nfs/dbraw/zinc/99/25/29/1078992529.db2.gz FGYZJTWBALLYBR-UHFFFAOYSA-N -1 0 404.379 2.097 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OCC(F)(F)F)nc1 ZINC000770775314 1078992735 /nfs/dbraw/zinc/99/27/35/1078992735.db2.gz KPMVTASLNCOSKG-UHFFFAOYSA-N -1 0 423.300 2.189 20 5 HEBDRM CCOc1ncc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1Cl ZINC000770775664 1079008507 /nfs/dbraw/zinc/00/85/07/1079008507.db2.gz AZDNPWCLDAUQNX-UHFFFAOYSA-N -1 0 403.775 2.300 20 5 HEBDRM O=C(CCc1nccs1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770747068 1079002833 /nfs/dbraw/zinc/00/28/33/1079002833.db2.gz BXCVZRCIBIFGAX-UHFFFAOYSA-N -1 0 420.266 2.252 20 5 HEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000770811164 1079030653 /nfs/dbraw/zinc/03/06/53/1079030653.db2.gz XTHBMOARNCKKJP-UHFFFAOYSA-N -1 0 420.443 2.350 20 5 HEBDRM O=C(CCc1cccc2c1OCO2)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000770843248 1079056332 /nfs/dbraw/zinc/05/63/32/1079056332.db2.gz QFPGDBVHBXQCOI-UHFFFAOYSA-N -1 0 412.807 2.415 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2COc3cc(C)c(C)cc32)ccc1[N+](=O)[O-] ZINC000770892416 1079065886 /nfs/dbraw/zinc/06/58/86/1079065886.db2.gz VUQDOIMFTMNBKP-AWEZNQCLSA-N -1 0 406.416 2.201 20 5 HEBDRM CCn1c(=O)c2ccc(-c3nc(-c4c([N+](=O)[O-])nc(C)n4C)no3)cc2[n-]c1=S ZINC000771465440 1079362280 /nfs/dbraw/zinc/36/22/80/1079362280.db2.gz VEJDXCMNDDOMTB-UHFFFAOYSA-N -1 0 413.419 2.372 20 5 HEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(F)c1 ZINC000771609475 1079395549 /nfs/dbraw/zinc/39/55/49/1079395549.db2.gz QDGYZDUIFAMPSE-UHFFFAOYSA-N -1 0 423.831 2.144 20 5 HEBDRM COc1ccc(COCCC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000737323938 1075899600 /nfs/dbraw/zinc/89/96/00/1075899600.db2.gz YGMMGBLJCYYFQD-UHFFFAOYSA-N -1 0 412.395 2.154 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCN1C(=O)CCc2ccccc21 ZINC000739154846 1076050463 /nfs/dbraw/zinc/05/04/63/1076050463.db2.gz FMWDMNRXRNERHM-UHFFFAOYSA-N -1 0 417.443 2.078 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccnc(N3CCCCC3)n2)cc([N+](=O)[O-])c1C ZINC000740524663 1076205521 /nfs/dbraw/zinc/20/55/21/1076205521.db2.gz AFKRHGZTZXXMHN-UHFFFAOYSA-N -1 0 419.463 2.111 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000740528092 1076206487 /nfs/dbraw/zinc/20/64/87/1076206487.db2.gz ASYUAOQBPGZIFL-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000766278926 1076653667 /nfs/dbraw/zinc/65/36/67/1076653667.db2.gz XHXGNVCUPVFRKB-UHFFFAOYSA-N -1 0 420.378 2.251 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1N1CCOC1=O ZINC000743266052 1077018336 /nfs/dbraw/zinc/01/83/36/1077018336.db2.gz BZELCFIBCPDIOF-UHFFFAOYSA-N -1 0 411.367 2.500 20 5 HEBDRM COc1cc(C(=O)[N-]S(=O)(=O)C(C)C)c([N+](=O)[O-])cc1OCc1cscn1 ZINC000743495898 1077061587 /nfs/dbraw/zinc/06/15/87/1077061587.db2.gz NKVXVAVYJLOIRW-UHFFFAOYSA-N -1 0 415.449 2.107 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744041394 1077312114 /nfs/dbraw/zinc/31/21/14/1077312114.db2.gz TYHJFODAWODNOV-GJZGRUSLSA-N -1 0 418.427 2.283 20 5 HEBDRM 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CC[C@]1(c2ccccc2)NC(=O)N([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1=O ZINC000767552755 1079927435 /nfs/dbraw/zinc/92/74/35/1079927435.db2.gz XSGLNHONUWDPFU-MRXNPFEDSA-N -1 0 424.460 2.015 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cnn1-c1cc(C)ccc1C ZINC000772653491 1080013786 /nfs/dbraw/zinc/01/37/86/1080013786.db2.gz WFJLCGKBDBISRN-UHFFFAOYSA-N -1 0 415.431 2.219 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C(=O)[O-] ZINC000785702116 1080172915 /nfs/dbraw/zinc/17/29/15/1080172915.db2.gz MCIJIARSESWOLI-PSASIEDQSA-N -1 0 407.242 2.089 20 5 HEBDRM O=C(COc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000768138322 1080369216 /nfs/dbraw/zinc/36/92/16/1080369216.db2.gz HYCGTJAJWCXFII-UHFFFAOYSA-N -1 0 401.400 2.269 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)cc([N+](=O)[O-])c1F ZINC000768285271 1080459207 /nfs/dbraw/zinc/45/92/07/1080459207.db2.gz NDJTYGQLORTRHR-UHFFFAOYSA-N -1 0 417.440 2.239 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(-c2cccs2)n1 ZINC000768807437 1080784510 /nfs/dbraw/zinc/78/45/10/1080784510.db2.gz OCOGMMGMKSODMQ-UHFFFAOYSA-N -1 0 410.408 2.315 20 5 HEBDRM O=C(Cc1ccsc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785352 1080796794 /nfs/dbraw/zinc/79/67/94/1080796794.db2.gz HZIZXJABBWEZOL-UHFFFAOYSA-N -1 0 405.251 2.466 20 5 HEBDRM COc1ccccc1[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1noc(C)n1 ZINC000768836745 1080818815 /nfs/dbraw/zinc/81/88/15/1080818815.db2.gz XJZUFWDZNUBQSY-AWEZNQCLSA-N -1 0 410.433 2.424 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1-n1nnnc1C1CC1 ZINC000768888050 1080833434 /nfs/dbraw/zinc/83/34/34/1080833434.db2.gz JHIKZKYKXVKZFL-UHFFFAOYSA-N -1 0 422.448 2.319 20 5 HEBDRM CN(CC(=O)Nc1ccc2[n-]c(=S)oc2c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000769245815 1081015632 /nfs/dbraw/zinc/01/56/32/1081015632.db2.gz MSLRGIAVLNXZOG-UHFFFAOYSA-N -1 0 422.444 2.284 20 5 HEBDRM O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769299878 1081034663 /nfs/dbraw/zinc/03/46/63/1081034663.db2.gz IKOPBTFGNDBSMB-UHFFFAOYSA-N -1 0 422.444 2.332 20 5 HEBDRM CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cn21 ZINC000769315354 1081039951 /nfs/dbraw/zinc/03/99/51/1081039951.db2.gz QDJSURBGRXELDD-UHFFFAOYSA-N -1 0 421.410 2.193 20 5 HEBDRM O=C(CCC(=O)c1ccc(Cl)cn1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000769290416 1081046968 /nfs/dbraw/zinc/04/69/68/1081046968.db2.gz DCGBDVDRHFDKRE-UHFFFAOYSA-N -1 0 415.786 2.250 20 5 HEBDRM O=C([O-])C1(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCC1 ZINC000761827315 939070333 /nfs/dbraw/zinc/07/03/33/939070333.db2.gz BVQQGRODADCEJX-UHFFFAOYSA-N -1 0 420.399 2.100 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)cc2[N+](=O)[O-])C1 ZINC000432124522 939180834 /nfs/dbraw/zinc/18/08/34/939180834.db2.gz ZPKRFHXGGJOTDW-QIIPPGSGSA-N -1 0 405.451 2.441 20 5 HEBDRM CCO[C@@H]1C[C@@](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)(C(=O)[O-])C1(C)C ZINC000439722671 939202687 /nfs/dbraw/zinc/20/26/87/939202687.db2.gz VTADAUSGQSLYDI-DNVCBOLYSA-N -1 0 402.407 2.169 20 5 HEBDRM COc1ccc([C@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC000583062485 939788601 /nfs/dbraw/zinc/78/86/01/939788601.db2.gz ISERWCZQEDVGCN-KRWDZBQOSA-N -1 0 403.391 2.280 20 5 HEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000611464201 939809202 /nfs/dbraw/zinc/80/92/02/939809202.db2.gz CLCMVCNNUWNMAI-ZUZCIYMTSA-N -1 0 405.794 2.309 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1F ZINC000611464062 939809257 /nfs/dbraw/zinc/80/92/57/939809257.db2.gz VAORWEIPNKCCDX-HNNXBMFYSA-N -1 0 409.757 2.059 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc1 ZINC000769773063 1078550053 /nfs/dbraw/zinc/55/00/53/1078550053.db2.gz HXHGSWKHLAPXRQ-UHFFFAOYSA-N -1 0 415.221 2.485 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1OCC(F)F ZINC000770089587 1078715224 /nfs/dbraw/zinc/71/52/24/1078715224.db2.gz RALFOQGDXHDTAH-UHFFFAOYSA-N -1 0 421.765 2.406 20 5 HEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cccnc1OCC(F)F ZINC000770118908 1078737380 /nfs/dbraw/zinc/73/73/80/1078737380.db2.gz MONOBMDHRQNWSK-UHFFFAOYSA-N -1 0 421.765 2.406 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccnc1OCC(F)(F)F ZINC000770129427 1078741936 /nfs/dbraw/zinc/74/19/36/1078741936.db2.gz QPLHQEZFTDRFRP-UHFFFAOYSA-N -1 0 411.339 2.111 20 5 HEBDRM O=C1NCCN1c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000766358245 1078914237 /nfs/dbraw/zinc/91/42/37/1078914237.db2.gz RARLGFCOJCGZGO-UHFFFAOYSA-N -1 0 413.415 2.473 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)CC2CCCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000746446374 1078969870 /nfs/dbraw/zinc/96/98/70/1078969870.db2.gz PAAYLWJNVBTGBS-UHFFFAOYSA-N -1 0 407.452 2.124 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1[N+](=O)[O-] ZINC000746450684 1078975618 /nfs/dbraw/zinc/97/56/18/1078975618.db2.gz OJVHQKCICVSWMW-UHFFFAOYSA-N -1 0 410.795 2.023 20 5 HEBDRM O=C([N-]S(=O)(=O)CC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000746452935 1078980697 /nfs/dbraw/zinc/98/06/97/1078980697.db2.gz HLTZQUKHFFQTEX-UHFFFAOYSA-N -1 0 411.480 2.071 20 5 HEBDRM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770768207 1078987007 /nfs/dbraw/zinc/98/70/07/1078987007.db2.gz SRSXNBQZSNIWCG-ZDUSSCGKSA-N -1 0 419.431 2.088 20 5 HEBDRM COc1ccc(OCCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770771174 1078988776 /nfs/dbraw/zinc/98/87/76/1078988776.db2.gz BVPLCNILXWRUPA-UHFFFAOYSA-N -1 0 412.395 2.407 20 5 HEBDRM CCCOc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770772825 1078990631 /nfs/dbraw/zinc/99/06/31/1078990631.db2.gz MHMICMVLYUAYFS-UHFFFAOYSA-N -1 0 412.395 2.407 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1COc2ccc(Cl)cc2C1 ZINC000770772752 1078990744 /nfs/dbraw/zinc/99/07/44/1078990744.db2.gz PBPXOKPWYUYCCJ-SNVBAGLBSA-N -1 0 414.798 2.444 20 5 HEBDRM O=C(CC[C@@H]1Cc2ccccc2NC1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770773586 1078991755 /nfs/dbraw/zinc/99/17/55/1078991755.db2.gz RDPZWRCNUGUCTG-GFCCVEGCSA-N -1 0 421.406 2.130 20 5 HEBDRM O=C(/C=C/C1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749884 1079005105 /nfs/dbraw/zinc/00/51/05/1079005105.db2.gz ZYTXJMXAFSRXHU-DAFODLJHSA-N -1 0 419.253 2.145 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cncc(Br)c1 ZINC000770777234 1079008922 /nfs/dbraw/zinc/00/89/22/1079008922.db2.gz YJKGCWLHBPKRNZ-UHFFFAOYSA-N -1 0 404.173 2.010 20 5 HEBDRM Cc1cc2c(cc1C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CO2 ZINC000770854631 1079039771 /nfs/dbraw/zinc/03/97/71/1079039771.db2.gz JYOOTJAJFGIMMG-CYBMUJFWSA-N -1 0 421.387 2.101 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3cc(C)c(C)cc32)ccc1[N+](=O)[O-] ZINC000770892418 1079065812 /nfs/dbraw/zinc/06/58/12/1079065812.db2.gz VUQDOIMFTMNBKP-CQSZACIVSA-N -1 0 406.416 2.201 20 5 HEBDRM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000766853469 1079439692 /nfs/dbraw/zinc/43/96/92/1079439692.db2.gz CAYLLIVHQIDEFW-SMDDNHRTSA-N -1 0 415.424 2.293 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(c2ccccc2F)CC1 ZINC000737326805 1075917689 /nfs/dbraw/zinc/91/76/89/1075917689.db2.gz UOTMAEUMFUEEJA-UHFFFAOYSA-N -1 0 409.351 2.179 20 5 HEBDRM Cc1onc(-c2ccccn2)c1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000766232251 1075947964 /nfs/dbraw/zinc/94/79/64/1075947964.db2.gz GYJBEXBHRRZAKI-UHFFFAOYSA-N -1 0 402.388 2.213 20 5 HEBDRM COc1ccc(-c2cc(C(=O)[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)[nH]n2)cc1 ZINC000766235007 1075961377 /nfs/dbraw/zinc/96/13/77/1075961377.db2.gz WHAJFTDOJMEDSC-UHFFFAOYSA-N -1 0 416.415 2.253 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(NC(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000740557855 1076193033 /nfs/dbraw/zinc/19/30/33/1076193033.db2.gz APFMOCGWXIQNKO-UHFFFAOYSA-N -1 0 406.420 2.115 20 5 HEBDRM O=C(CCn1cc([N+](=O)[O-])cn1)[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000741119387 1076379138 /nfs/dbraw/zinc/37/91/38/1076379138.db2.gz XVQUYQHYOGKRAA-UHFFFAOYSA-N -1 0 400.416 2.354 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(OC)c(OC)c1 ZINC000741658228 1076579641 /nfs/dbraw/zinc/57/96/41/1076579641.db2.gz PHRXYPBPCXUNLT-UHFFFAOYSA-N -1 0 414.367 2.339 20 5 HEBDRM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1C ZINC000742025733 1076721514 /nfs/dbraw/zinc/72/15/14/1076721514.db2.gz HXHYKJZBILRPSG-UHFFFAOYSA-N -1 0 417.440 2.060 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2CN2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000742028607 1076723044 /nfs/dbraw/zinc/72/30/44/1076723044.db2.gz WGTAORSBXUTEOL-UHFFFAOYSA-N -1 0 421.406 2.492 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CN3C(=O)CCC3=O)cc2)cc1[N+](=O)[O-] ZINC000742027284 1076723070 /nfs/dbraw/zinc/72/30/70/1076723070.db2.gz PPUWHOUIEAUREO-UHFFFAOYSA-N -1 0 421.406 2.492 20 5 HEBDRM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000743442665 1077051093 /nfs/dbraw/zinc/05/10/93/1077051093.db2.gz UKQADLZUQCFCBF-UHFFFAOYSA-N -1 0 414.399 2.102 20 5 HEBDRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744001882 1077288712 /nfs/dbraw/zinc/28/87/12/1077288712.db2.gz PPLAULDHNCUYTL-VIFPVBQESA-N -1 0 414.871 2.282 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCc2ccccc23)c([N+](=O)[O-])c1 ZINC000744012314 1077304856 /nfs/dbraw/zinc/30/48/56/1077304856.db2.gz MNZLJEOMOQPMNP-HNAYVOBHSA-N -1 0 402.428 2.312 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000744013297 1077305745 /nfs/dbraw/zinc/30/57/45/1077305745.db2.gz XCXGXMCKGHZNRH-YPMHNXCESA-N -1 0 412.370 2.490 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(N3CCOC3=O)ccc2F)ccc1[N+](=O)[O-] ZINC000744150474 1077331796 /nfs/dbraw/zinc/33/17/96/1077331796.db2.gz BSUNHCNHDTZZLV-UHFFFAOYSA-N -1 0 423.378 2.118 20 5 HEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1[N+](=O)[O-] ZINC000744257311 1077352248 /nfs/dbraw/zinc/35/22/48/1077352248.db2.gz PUTBKNJHTGELNM-UHFFFAOYSA-N -1 0 419.394 2.080 20 5 HEBDRM Cc1nn(Cc2ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000744267894 1077354925 /nfs/dbraw/zinc/35/49/25/1077354925.db2.gz MHJFZHURXDSDNY-UHFFFAOYSA-N -1 0 420.369 2.078 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000766319344 1077445636 /nfs/dbraw/zinc/44/56/36/1077445636.db2.gz AMLHRIDZFGBRMP-UHFFFAOYSA-N -1 0 411.411 2.385 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2ccccc2)ccc1[N+](=O)[O-] ZINC000772665550 1080007739 /nfs/dbraw/zinc/00/77/39/1080007739.db2.gz CWSZWMDMQWUOQR-UHFFFAOYSA-N -1 0 400.416 2.422 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1ccccc1[N+](=O)[O-] ZINC000772650496 1080012473 /nfs/dbraw/zinc/01/24/73/1080012473.db2.gz AEXPCYRQZJQSAE-UHFFFAOYSA-N -1 0 401.444 2.464 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@H]1C(=O)[O-] ZINC000785702118 1080173021 /nfs/dbraw/zinc/17/30/21/1080173021.db2.gz MCIJIARSESWOLI-WCBMZHEXSA-N -1 0 407.242 2.089 20 5 HEBDRM Cc1cc(C(=O)N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000768052990 1080296176 /nfs/dbraw/zinc/29/61/76/1080296176.db2.gz CCKMTHYHDNWKHX-UHFFFAOYSA-N -1 0 423.422 2.316 20 5 HEBDRM CC(=O)Nc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000768165577 1080380259 /nfs/dbraw/zinc/38/02/59/1080380259.db2.gz HNEZSVRMMHDXJW-UHFFFAOYSA-N -1 0 411.823 2.466 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768808360 1080785765 /nfs/dbraw/zinc/78/57/65/1080785765.db2.gz XNGQASUOVLLSDD-QGZVFWFLSA-N -1 0 419.459 2.073 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000768795833 1080802327 /nfs/dbraw/zinc/80/23/27/1080802327.db2.gz ATMUJVVFIZRHKP-AWEZNQCLSA-N -1 0 413.452 2.265 20 5 HEBDRM O=c1[nH]cnc2c1cnn2-c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768866343 1080823592 /nfs/dbraw/zinc/82/35/92/1080823592.db2.gz SULQEFHFLPXDSE-UHFFFAOYSA-N -1 0 418.416 2.292 20 5 HEBDRM COCCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768888271 1080833396 /nfs/dbraw/zinc/83/33/96/1080833396.db2.gz LTXAPGZUKOIJGS-UHFFFAOYSA-N -1 0 420.490 2.267 20 5 HEBDRM O=C1CN(c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2Cl)CCN1 ZINC000768864977 1080844447 /nfs/dbraw/zinc/84/44/47/1080844447.db2.gz FQOFHSITZBVHBX-UHFFFAOYSA-N -1 0 416.868 2.047 20 5 HEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000787001520 1080914532 /nfs/dbraw/zinc/91/45/32/1080914532.db2.gz WPNGPHWCOMOFDE-IZZDOVSWSA-N -1 0 415.427 2.388 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N(C)CCC(=O)[O-])cc1 ZINC000769542392 1081118912 /nfs/dbraw/zinc/11/89/12/1081118912.db2.gz SGOPMVKXDZTSCJ-UHFFFAOYSA-N -1 0 422.415 2.218 20 5 HEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1Br ZINC000769636481 1081156366 /nfs/dbraw/zinc/15/63/66/1081156366.db2.gz VXBNGGPOUPGDSC-JTQLQIEISA-N -1 0 417.241 2.316 20 5 HEBDRM Cc1nn(Cc2ccc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2)c(C)c1[N+](=O)[O-] ZINC000432098119 939173304 /nfs/dbraw/zinc/17/33/04/939173304.db2.gz NFOMCWSHYYITCV-IRXDYDNUSA-N -1 0 416.434 2.066 20 5 HEBDRM CCO[C@@H]1C[C@@](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)(C(=O)[O-])C1(C)C ZINC000439698146 939188123 /nfs/dbraw/zinc/18/81/23/939188123.db2.gz RJSZANZRZKJKNQ-DNVCBOLYSA-N -1 0 402.407 2.169 20 5 HEBDRM CCO[C@H]1C[C@](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)(C(=O)[O-])C1(C)C ZINC000439705584 939192682 /nfs/dbraw/zinc/19/26/82/939192682.db2.gz FIRUJWWSYNEKDU-KXBFYZLASA-N -1 0 402.407 2.169 20 5 HEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000611464180 939809187 /nfs/dbraw/zinc/80/91/87/939809187.db2.gz ULQAKPJPWSIQFY-PSLIRLAXSA-N -1 0 423.784 2.448 20 5 HEBDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OC)c(F)cc1F ZINC000769670703 1078512052 /nfs/dbraw/zinc/51/20/52/1078512052.db2.gz GEPIMPPBBKJKTJ-UHFFFAOYSA-N -1 0 402.331 2.469 20 5 HEBDRM CC(C)Oc1cncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c1 ZINC000770138689 1078744562 /nfs/dbraw/zinc/74/45/62/1078744562.db2.gz OIQDROVJVLQEPJ-UHFFFAOYSA-N -1 0 414.827 2.131 20 5 HEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)CCCF)cc2[N+](=O)[O-])C1 ZINC000770141514 1078745310 /nfs/dbraw/zinc/74/53/10/1078745310.db2.gz LOVLAEXBRSRKMK-BETUJISGSA-N -1 0 401.460 2.496 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1C ZINC000770202991 1078785928 /nfs/dbraw/zinc/78/59/28/1078785928.db2.gz YFQABGHBAHXIEB-UHFFFAOYSA-N -1 0 417.241 2.001 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000746413360 1078912366 /nfs/dbraw/zinc/91/23/66/1078912366.db2.gz XQJQTUIXSAYRNS-VXGBXAGGSA-N -1 0 420.871 2.336 20 5 HEBDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746413378 1078912404 /nfs/dbraw/zinc/91/24/04/1078912404.db2.gz YVXPWGICRJZQNS-GHMZBOCLSA-N -1 0 406.844 2.027 20 5 HEBDRM C[C@@H](OC[C@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000746417774 1078910931 /nfs/dbraw/zinc/91/09/31/1078910931.db2.gz BXHABYXIYOPMHF-GHMZBOCLSA-N -1 0 406.844 2.027 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccn(-c2ccc(F)cc2)n1 ZINC000770727642 1078954357 /nfs/dbraw/zinc/95/43/57/1078954357.db2.gz FIARZHFOMSQLOT-UHFFFAOYSA-N -1 0 408.342 2.177 20 5 HEBDRM O=C(Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1)NC1CC1 ZINC000770727636 1078954425 /nfs/dbraw/zinc/95/44/25/1078954425.db2.gz DCKUKUZUWIRHNE-UHFFFAOYSA-N -1 0 422.394 2.137 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC1(Cl)Cl ZINC000770727618 1078954480 /nfs/dbraw/zinc/95/44/80/1078954480.db2.gz BICLRCZXEPLYBE-ZCFIWIBFSA-N -1 0 418.052 2.356 20 5 HEBDRM CCN(CC)C(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770771928 1078990108 /nfs/dbraw/zinc/99/01/08/1078990108.db2.gz HQKCOPJPNQUSSW-UHFFFAOYSA-N -1 0 423.422 2.335 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nnn1-c1ccc(C)cc1 ZINC000770774285 1078991144 /nfs/dbraw/zinc/99/11/44/1078991144.db2.gz YZZKOFDYWFISIE-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770776368 1078993102 /nfs/dbraw/zinc/99/31/02/1078993102.db2.gz LDIGMUXEQMQWEA-UHFFFAOYSA-N -1 0 412.395 2.268 20 5 HEBDRM Cc1ccncc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770745389 1079001701 /nfs/dbraw/zinc/00/17/01/1079001701.db2.gz FZBCYIBPOZCTBL-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770746636 1079003210 /nfs/dbraw/zinc/00/32/10/1079003210.db2.gz LARCFPPPNXYFNX-UHFFFAOYSA-N -1 0 418.225 2.010 20 5 HEBDRM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770776911 1079009269 /nfs/dbraw/zinc/00/92/69/1079009269.db2.gz WWFLGOIZVJOAJM-NSHDSACASA-N -1 0 408.407 2.495 20 5 HEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000770855220 1079039995 /nfs/dbraw/zinc/03/99/95/1079039995.db2.gz AIHHOJTWJVESIW-ZBFHGGJFSA-N -1 0 401.375 2.011 20 5 HEBDRM CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)c3cc([N+](=O)[O-])cs3)cc2)n[nH]1 ZINC000770864835 1079045613 /nfs/dbraw/zinc/04/56/13/1079045613.db2.gz KCQYTOJYIGMTNJ-UHFFFAOYSA-N -1 0 407.433 2.123 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2COc3cc(C)c(C)cc32)c([N+](=O)[O-])c1 ZINC000770837206 1079053745 /nfs/dbraw/zinc/05/37/45/1079053745.db2.gz YWNOJQNBMWCTAH-CQSZACIVSA-N -1 0 406.416 2.201 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)/C=C/c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000771284781 1079239906 /nfs/dbraw/zinc/23/99/06/1079239906.db2.gz UMZZCMCFAQZUEE-OWOJBTEDSA-N -1 0 417.230 2.397 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1csc(Nc2ccccn2)n1 ZINC000737317698 1075899252 /nfs/dbraw/zinc/89/92/52/1075899252.db2.gz GMGHYQPQQYAPJL-UHFFFAOYSA-N -1 0 419.444 2.450 20 5 HEBDRM CCCNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000741436292 1076527995 /nfs/dbraw/zinc/52/79/95/1076527995.db2.gz UUMNQQNYRQOLFR-UHFFFAOYSA-N -1 0 405.432 2.162 20 5 HEBDRM COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c([N+](=O)[O-])c1 ZINC000742030437 1076724894 /nfs/dbraw/zinc/72/48/94/1076724894.db2.gz ZYEWTMBKZYCGSH-GFCCVEGCSA-N -1 0 420.399 2.149 20 5 HEBDRM NC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000742231654 1076802416 /nfs/dbraw/zinc/80/24/16/1076802416.db2.gz SHGJUUBHQQBLJM-UHFFFAOYSA-N -1 0 400.210 2.257 20 5 HEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000742286037 1076815958 /nfs/dbraw/zinc/81/59/58/1076815958.db2.gz WPTVYNVWJWKXNA-GHMZBOCLSA-N -1 0 410.279 2.043 20 5 HEBDRM COc1ccc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1N1CCOC1=O ZINC000743268761 1077019984 /nfs/dbraw/zinc/01/99/84/1077019984.db2.gz JRNVNWJUDYLVML-UHFFFAOYSA-N -1 0 409.376 2.066 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000744013324 1077305654 /nfs/dbraw/zinc/30/56/54/1077305654.db2.gz YCYCHOUOCGZQKW-NEPJUHHUSA-N -1 0 412.370 2.490 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744131824 1077326514 /nfs/dbraw/zinc/32/65/14/1077326514.db2.gz IPEAONKHZAYSEN-NWDGAFQWSA-N -1 0 410.429 2.036 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000744257070 1077350590 /nfs/dbraw/zinc/35/05/90/1077350590.db2.gz JBQRTHDBWOVMOM-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2cccc(C)c2[N+](=O)[O-])cn1 ZINC000744291443 1077357814 /nfs/dbraw/zinc/35/78/14/1077357814.db2.gz CDIGLGOOPXHGPP-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3cccnc3)cc2[N+](=O)[O-])C1 ZINC000766907430 1079516755 /nfs/dbraw/zinc/51/67/55/1079516755.db2.gz WKAGKRXAYJBKDO-CQSZACIVSA-N -1 0 418.475 2.486 20 5 HEBDRM CN(C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000767023451 1079596591 /nfs/dbraw/zinc/59/65/91/1079596591.db2.gz NQTXITADIOKXDV-INIZCTEOSA-N -1 0 405.794 2.262 20 5 HEBDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000767500129 1079892176 /nfs/dbraw/zinc/89/21/76/1079892176.db2.gz GEFZEWVLUYBKNB-UHFFFAOYSA-N -1 0 417.241 2.253 20 5 HEBDRM Cc1cc(C(=O)N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000768053968 1080296473 /nfs/dbraw/zinc/29/64/73/1080296473.db2.gz HKFJHCDOMKESFZ-UHFFFAOYSA-N -1 0 423.422 2.316 20 5 HEBDRM Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000772677823 1080404117 /nfs/dbraw/zinc/40/41/17/1080404117.db2.gz TZIOLKFZRSZIOX-UHFFFAOYSA-N -1 0 401.404 2.115 20 5 HEBDRM CC(=O)N(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000786262023 1080501021 /nfs/dbraw/zinc/50/10/21/1080501021.db2.gz MJYRGPDUFYKTBA-UHFFFAOYSA-N -1 0 411.823 2.350 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)Cc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000772681548 1080529097 /nfs/dbraw/zinc/52/90/97/1080529097.db2.gz WYQDJHGLIPNKPU-UHFFFAOYSA-N -1 0 401.400 2.199 20 5 HEBDRM C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000786444032 1080605446 /nfs/dbraw/zinc/60/54/46/1080605446.db2.gz GUHAKTRDONDFOU-RYUDHWBXSA-N -1 0 413.452 2.045 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN1Cc1ccccc1 ZINC000768807873 1080786256 /nfs/dbraw/zinc/78/62/56/1080786256.db2.gz UGHHXNUABCZNKY-MRXNPFEDSA-N -1 0 407.423 2.203 20 5 HEBDRM Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000768783898 1080796391 /nfs/dbraw/zinc/79/63/91/1080796391.db2.gz HYQXHBGORCKMFU-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(I)cn2)cs1 ZINC000768863368 1080843466 /nfs/dbraw/zinc/84/34/66/1080843466.db2.gz SLYGOJHESWVFPB-UHFFFAOYSA-N -1 0 411.202 2.457 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cnn(CC(F)(F)F)c1 ZINC000786927853 1080897343 /nfs/dbraw/zinc/89/73/43/1080897343.db2.gz YSGSZVDWDSUKNM-UHFFFAOYSA-N -1 0 412.733 2.126 20 5 HEBDRM CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cn21 ZINC000769310997 1081038833 /nfs/dbraw/zinc/03/88/33/1081038833.db2.gz ODMUTTLHGDPUIR-UHFFFAOYSA-N -1 0 421.410 2.193 20 5 HEBDRM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769516141 1081104950 /nfs/dbraw/zinc/10/49/50/1081104950.db2.gz SKNCGTNVOUNQOU-INIZCTEOSA-N -1 0 420.399 2.052 20 5 HEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000769636597 1081156681 /nfs/dbraw/zinc/15/66/81/1081156681.db2.gz YUOGQUZBODIBQK-UHFFFAOYSA-N -1 0 416.209 2.340 20 5 HEBDRM Cc1nn(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)cc2)c(C)c1[N+](=O)[O-] ZINC000432098118 939173185 /nfs/dbraw/zinc/17/31/85/939173185.db2.gz NFOMCWSHYYITCV-IAGOWNOFSA-N -1 0 416.434 2.066 20 5 HEBDRM O=C([O-])[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000432131639 939182401 /nfs/dbraw/zinc/18/24/01/939182401.db2.gz VDGAFCAGLMJLCI-ZUZCIYMTSA-N -1 0 419.356 2.412 20 5 HEBDRM COc1ccc([C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C(=O)[O-])c(OC)c1 ZINC000562459596 939332471 /nfs/dbraw/zinc/33/24/71/939332471.db2.gz PXDHHHZQWJGJMV-QGZVFWFLSA-N -1 0 403.391 2.280 20 5 HEBDRM O=C([O-])[C@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000580613964 939772389 /nfs/dbraw/zinc/77/23/89/939772389.db2.gz AFBYGLPRFJVWRT-QGZVFWFLSA-N -1 0 401.375 2.034 20 5 HEBDRM Cc1cc(=O)c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000610847825 939808283 /nfs/dbraw/zinc/80/82/83/939808283.db2.gz VSZSZNCIYJBKAC-OAQYLSRUSA-N -1 0 422.397 2.179 20 5 HEBDRM C[C@@](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000610847823 939808414 /nfs/dbraw/zinc/80/84/14/939808414.db2.gz VGKAKRLWDCRZPS-SFHVURJKSA-N -1 0 405.794 2.094 20 5 HEBDRM COc1cc(C(=O)OCCc2ccc([N+](=O)[O-])cc2)cc([N-]S(C)(=O)=O)c1OC ZINC000745536763 1078527368 /nfs/dbraw/zinc/52/73/68/1078527368.db2.gz DSLMDTJUIKOLEN-UHFFFAOYSA-N -1 0 424.431 2.383 20 5 HEBDRM COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc([N-]S(C)(=O)=O)c1OC ZINC000745536408 1078528059 /nfs/dbraw/zinc/52/80/59/1078528059.db2.gz ADWINFWLJPPRMO-UHFFFAOYSA-N -1 0 410.404 2.341 20 5 HEBDRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)cc([N+](=O)[O-])c1 ZINC000745963806 1078710123 /nfs/dbraw/zinc/71/01/23/1078710123.db2.gz BAZXSFPTRQZZEM-UHFFFAOYSA-N -1 0 410.379 2.338 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(F)c1 ZINC000745967206 1078711454 /nfs/dbraw/zinc/71/14/54/1078711454.db2.gz DPZSTSAQMASERP-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000770115567 1078736462 /nfs/dbraw/zinc/73/64/62/1078736462.db2.gz OMXLFMUMQRUZCX-OKILXGFUSA-N -1 0 410.496 2.148 20 5 HEBDRM Cc1onc(-c2ccccn2)c1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000766398583 1078952326 /nfs/dbraw/zinc/95/23/26/1078952326.db2.gz RUKRGQWBYRJZSG-UHFFFAOYSA-N -1 0 416.415 2.256 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000746450508 1078975407 /nfs/dbraw/zinc/97/54/07/1078975407.db2.gz POECXRAGJHVJEL-UHFFFAOYSA-N -1 0 410.795 2.023 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000770771860 1078990086 /nfs/dbraw/zinc/99/00/86/1078990086.db2.gz HGCLJKSONRNQJV-CHWSQXEVSA-N -1 0 422.390 2.114 20 5 HEBDRM 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O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770859280 1079042420 /nfs/dbraw/zinc/04/24/20/1079042420.db2.gz XBZQNWWKEBSTKH-UHFFFAOYSA-N -1 0 414.418 2.193 20 5 HEBDRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000770843026 1079056719 /nfs/dbraw/zinc/05/67/19/1079056719.db2.gz XARPDZMWQBHZJA-GFCCVEGCSA-N -1 0 401.441 2.011 20 5 HEBDRM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(Br)cc1 ZINC000766658129 1079230456 /nfs/dbraw/zinc/23/04/56/1079230456.db2.gz FFKXOAZNDUNDTB-SECBINFHSA-N -1 0 414.237 2.361 20 5 HEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000771754040 1079484270 /nfs/dbraw/zinc/48/42/70/1079484270.db2.gz XZSSIHXCQBZQJV-INIZCTEOSA-N -1 0 412.395 2.244 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cccc(Oc2cnccn2)c1 ZINC000737341711 1075973501 /nfs/dbraw/zinc/97/35/01/1075973501.db2.gz JTLOONOURSBYJK-UHFFFAOYSA-N -1 0 406.401 2.357 20 5 HEBDRM 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Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1Cl ZINC000744080895 1077314724 /nfs/dbraw/zinc/31/47/24/1077314724.db2.gz OQKIAMBGLWFYPJ-UHFFFAOYSA-N -1 0 412.733 2.119 20 5 HEBDRM O=C([N-]S(=O)(=O)CC(F)(F)F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000744268297 1077355544 /nfs/dbraw/zinc/35/55/44/1077355544.db2.gz ULUJIUNRGFMALL-UHFFFAOYSA-N -1 0 410.248 2.158 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])cn1 ZINC000744290160 1077356894 /nfs/dbraw/zinc/35/68/94/1077356894.db2.gz PWIWFLVQTNMTLP-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000744295712 1077359871 /nfs/dbraw/zinc/35/98/71/1077359871.db2.gz RDSPZNQXWGDZFD-UHFFFAOYSA-N -1 0 403.416 2.075 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766309630 1077379530 /nfs/dbraw/zinc/37/95/30/1077379530.db2.gz FIOKKLIFZCFEKE-UHFFFAOYSA-N -1 0 422.387 2.406 20 5 HEBDRM COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cc1N1CCOC1=O ZINC000766322482 1077599840 /nfs/dbraw/zinc/59/98/40/1077599840.db2.gz QKFNZGGJMTWTID-UHFFFAOYSA-N -1 0 423.403 2.375 20 5 HEBDRM O=C(/C=C/c1ccc(Cl)nc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000772653973 1080013855 /nfs/dbraw/zinc/01/38/55/1080013855.db2.gz XMHKLSNGACBWHP-QHHAFSJGSA-N -1 0 412.767 2.070 20 5 HEBDRM COC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000785514772 1080028664 /nfs/dbraw/zinc/02/86/64/1080028664.db2.gz JYYNNWMFSNNPMR-UHFFFAOYSA-N -1 0 408.388 2.034 20 5 HEBDRM COCc1c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cnn1-c1ccccc1 ZINC000767982297 1080247524 /nfs/dbraw/zinc/24/75/24/1080247524.db2.gz MVPPPBHCXGEFDO-UHFFFAOYSA-N -1 0 422.444 2.107 20 5 HEBDRM O=C(COc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000768132258 1080365956 /nfs/dbraw/zinc/36/59/56/1080365956.db2.gz XBMJMETXJJMWKI-UHFFFAOYSA-N -1 0 401.400 2.269 20 5 HEBDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786417438 1080592748 /nfs/dbraw/zinc/59/27/48/1080592748.db2.gz IPNDXOHQVZJSBW-CYBMUJFWSA-N -1 0 408.432 2.268 20 5 HEBDRM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786473460 1080615845 /nfs/dbraw/zinc/61/58/45/1080615845.db2.gz IWZVZMAJXBHKHS-OAHLLOKOSA-N -1 0 420.443 2.270 20 5 HEBDRM O=C(Cc1ccn(-c2ccc(F)cc2)n1)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000768768650 1080754610 /nfs/dbraw/zinc/75/46/10/1080754610.db2.gz CWCGKJTYAGPUQW-UHFFFAOYSA-N -1 0 422.369 2.106 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2cccs2)ccc1[N+](=O)[O-] ZINC000768801727 1080779666 /nfs/dbraw/zinc/77/96/66/1080779666.db2.gz XMBXGQQYNIMIJF-UHFFFAOYSA-N -1 0 406.445 2.484 20 5 HEBDRM Cc1ccc(Cc2nc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])nc3)cs2)cc1 ZINC000768804903 1080782616 /nfs/dbraw/zinc/78/26/16/1080782616.db2.gz RLMFSZFRNZDXTD-UHFFFAOYSA-N -1 0 418.456 2.464 20 5 HEBDRM 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O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768860783 1080842925 /nfs/dbraw/zinc/84/29/25/1080842925.db2.gz DCLHZYYPMLFIKX-NSHDSACASA-N -1 0 411.461 2.366 20 5 HEBDRM COC(=O)c1cc(S(=O)(=O)Oc2cc([N+](=O)[O-])ccc2Br)c[n-]1 ZINC000786905448 1080877435 /nfs/dbraw/zinc/87/74/35/1080877435.db2.gz QLJNDRNDVZCCBW-UHFFFAOYSA-N -1 0 405.182 2.240 20 5 HEBDRM O=C(COc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000787003099 1080917291 /nfs/dbraw/zinc/91/72/91/1080917291.db2.gz JSHKXIZOGLDHPW-UHFFFAOYSA-N -1 0 402.787 2.412 20 5 HEBDRM CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cn21 ZINC000769279412 1081029821 /nfs/dbraw/zinc/02/98/21/1081029821.db2.gz VJHSCUCUXCZKGD-UHFFFAOYSA-N -1 0 417.447 2.195 20 5 HEBDRM O=C(CCC(=O)c1ccc(Cl)cn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000769315308 1081039924 /nfs/dbraw/zinc/03/99/24/1081039924.db2.gz OGYCRHCOCOLVRE-UHFFFAOYSA-N -1 0 415.786 2.250 20 5 HEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000769631455 1081149508 /nfs/dbraw/zinc/14/95/08/1081149508.db2.gz UEIZDXSIIPYXSN-UHFFFAOYSA-N -1 0 405.841 2.005 20 5 HEBDRM Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1[N+](=O)[O-] ZINC000035686043 525589833 /nfs/dbraw/zinc/58/98/33/525589833.db2.gz RHEHXOJVPYHAHT-MRXNPFEDSA-N -1 0 403.416 2.359 20 5 HEBDRM O=C([O-])C1(NC(=O)c2ccc([N+](=O)[O-])cc2I)CCCC1 ZINC000238094344 939057179 /nfs/dbraw/zinc/05/71/79/939057179.db2.gz GGOGKNFAHANDMB-UHFFFAOYSA-N -1 0 404.160 2.327 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 ZINC000432124523 939180880 /nfs/dbraw/zinc/18/08/80/939180880.db2.gz ZPKRFHXGGJOTDW-SIIHOXLZSA-N -1 0 405.451 2.441 20 5 HEBDRM CC[C@](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 ZINC000485361738 939226267 /nfs/dbraw/zinc/22/62/67/939226267.db2.gz BLTNAVDSAAGORJ-GOSISDBHSA-N -1 0 406.416 2.118 20 5 HEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000611464182 939809292 /nfs/dbraw/zinc/80/92/92/939809292.db2.gz ULQAKPJPWSIQFY-VFZGTOFNSA-N -1 0 423.784 2.448 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N)c([N+](=O)[O-])c2)c(Br)c1 ZINC000745968712 1078712192 /nfs/dbraw/zinc/71/21/92/1078712192.db2.gz CKBBHXSJVPIEOE-UHFFFAOYSA-N -1 0 414.237 2.367 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770149253 1078748364 /nfs/dbraw/zinc/74/83/64/1078748364.db2.gz LKBJTIOKHHQUPK-KBPBESRZSA-N -1 0 412.512 2.394 20 5 HEBDRM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000746424470 1078922819 /nfs/dbraw/zinc/92/28/19/1078922819.db2.gz HOQUXIJZINVZOV-UHFFFAOYSA-N -1 0 412.427 2.378 20 5 HEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2cc(C)sc2C)c([N+](=O)[O-])cc1OC ZINC000746431276 1078934283 /nfs/dbraw/zinc/93/42/83/1078934283.db2.gz ILYLUSIBMQAHLL-UHFFFAOYSA-N -1 0 400.434 2.409 20 5 HEBDRM 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O=C(CCSc1ccc2c(c1)OCCO2)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000739137291 1076049573 /nfs/dbraw/zinc/04/95/73/1076049573.db2.gz KHSVZPXDUOTTOB-UHFFFAOYSA-N -1 0 424.456 2.353 20 5 HEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc([N+](=O)[O-])cc1 ZINC000740528144 1076186834 /nfs/dbraw/zinc/18/68/34/1076186834.db2.gz SSQZKHAZSYGYPF-UHFFFAOYSA-N -1 0 417.443 2.262 20 5 HEBDRM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740559026 1076192887 /nfs/dbraw/zinc/19/28/87/1076192887.db2.gz OTCGHSPGSYYKRH-UHFFFAOYSA-N -1 0 419.459 2.079 20 5 HEBDRM COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000740524695 1076205645 /nfs/dbraw/zinc/20/56/45/1076205645.db2.gz BMGQYISJCRKIIL-UHFFFAOYSA-N -1 0 412.445 2.226 20 5 HEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C(=O)N(C)C ZINC000740812782 1076262187 /nfs/dbraw/zinc/26/21/87/1076262187.db2.gz AVFLPBNMQCYVJK-UHFFFAOYSA-N -1 0 408.392 2.314 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2c[nH]c3c2cccc3C)c([N+](=O)[O-])c1 ZINC000741430133 1076522273 /nfs/dbraw/zinc/52/22/73/1076522273.db2.gz ZDPBSUAYGXCQGQ-UHFFFAOYSA-N -1 0 403.416 2.441 20 5 HEBDRM CC(C)(C)OC(=O)CSCC(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741433586 1076525997 /nfs/dbraw/zinc/52/59/97/1076525997.db2.gz WGWQUGPAKBXTAK-UHFFFAOYSA-N -1 0 424.884 2.128 20 5 HEBDRM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000742287301 1076817299 /nfs/dbraw/zinc/81/72/99/1076817299.db2.gz DEWGOKOTMIJDNG-VIFPVBQESA-N -1 0 412.251 2.411 20 5 HEBDRM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)s1 ZINC000743440913 1077054753 /nfs/dbraw/zinc/05/47/53/1077054753.db2.gz WBLCTHDEYKRQQC-UHFFFAOYSA-N -1 0 411.461 2.028 20 5 HEBDRM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000743442157 1077054963 /nfs/dbraw/zinc/05/49/63/1077054963.db2.gz CWQVCGFAPKNBLF-UHFFFAOYSA-N -1 0 417.852 2.065 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)cc2C)cc([N+](=O)[O-])c1C ZINC000744007963 1077302695 /nfs/dbraw/zinc/30/26/95/1077302695.db2.gz QYQWGDPHEGRSFV-UHFFFAOYSA-N -1 0 415.431 2.219 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000744039531 1077311293 /nfs/dbraw/zinc/31/12/93/1077311293.db2.gz DDHDRHUKHRRSTC-UHFFFAOYSA-N -1 0 421.406 2.288 20 5 HEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000744072582 1077312911 /nfs/dbraw/zinc/31/29/11/1077312911.db2.gz KNCOQRBDQURETA-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000744162577 1077334981 /nfs/dbraw/zinc/33/49/81/1077334981.db2.gz OJGMCJDVUGVFJW-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000744208293 1077340599 /nfs/dbraw/zinc/34/05/99/1077340599.db2.gz FPJOZAWKZXRTRX-UHFFFAOYSA-N -1 0 416.415 2.123 20 5 HEBDRM O=C([N-]S(=O)(=O)CCSc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000744302457 1077365993 /nfs/dbraw/zinc/36/59/93/1077365993.db2.gz CFNMRIXWJZAZEP-UHFFFAOYSA-N -1 0 410.429 2.175 20 5 HEBDRM COc1cc(OCC(=O)[N-]S(=O)(=O)c2c(C)cccc2Cl)ccc1[N+](=O)[O-] ZINC000767568552 1079979223 /nfs/dbraw/zinc/97/92/23/1079979223.db2.gz HCSAEJGWIUOISR-UHFFFAOYSA-N -1 0 414.823 2.449 20 5 HEBDRM COc1cccc(-c2nc(C)c(C(=O)[N-]S(=O)(=O)c3cc([N+](=O)[O-])cs3)[nH]2)c1 ZINC000772662568 1080006687 /nfs/dbraw/zinc/00/66/87/1080006687.db2.gz HHPUNFKWPHYRPV-UHFFFAOYSA-N -1 0 422.444 2.482 20 5 HEBDRM CCN(C)C(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000746565680 1080304417 /nfs/dbraw/zinc/30/44/17/1080304417.db2.gz DLGKOXLSUJBCMV-UHFFFAOYSA-N -1 0 421.431 2.031 20 5 HEBDRM CC(=O)Nc1ccc(Cl)c(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000768169721 1080382255 /nfs/dbraw/zinc/38/22/55/1080382255.db2.gz FRCQEWDZASFFBZ-UHFFFAOYSA-N -1 0 415.786 2.464 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccnc(OC2CCCCC2)c1 ZINC000772676736 1080387008 /nfs/dbraw/zinc/38/70/08/1080387008.db2.gz OZIXYXVVGSXULS-UHFFFAOYSA-N -1 0 406.420 2.215 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2N2C(=O)CCC2=O)cc([N+](=O)[O-])c1F ZINC000768272049 1080453178 /nfs/dbraw/zinc/45/31/78/1080453178.db2.gz KJEWAYCPUWHCGX-UHFFFAOYSA-N -1 0 407.379 2.497 20 5 HEBDRM COC(=O)c1cncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000768327398 1080488154 /nfs/dbraw/zinc/48/81/54/1080488154.db2.gz NIBREMQPMCIGOK-UHFFFAOYSA-N -1 0 416.209 2.340 20 5 HEBDRM CC(=O)CCN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000768347318 1080523809 /nfs/dbraw/zinc/52/38/09/1080523809.db2.gz UBJWVGSDQYCUAY-UHFFFAOYSA-N -1 0 405.432 2.447 20 5 HEBDRM Cn1cc(S(=O)(=O)[N-]C(=O)c2cc(OCc3ccccc3)ccc2[N+](=O)[O-])cn1 ZINC000786283295 1080529273 /nfs/dbraw/zinc/52/92/73/1080529273.db2.gz YXQQTFPTWDUTBQ-UHFFFAOYSA-N -1 0 416.415 2.026 20 5 HEBDRM CCOCCS(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786404395 1080587867 /nfs/dbraw/zinc/58/78/67/1080587867.db2.gz BXMSJPFSHPCHHY-UHFFFAOYSA-N -1 0 408.432 2.270 20 5 HEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000786661800 1080747666 /nfs/dbraw/zinc/74/76/66/1080747666.db2.gz MTCJNDAXKTXHKG-UHFFFAOYSA-N -1 0 415.431 2.165 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000768769014 1080754049 /nfs/dbraw/zinc/75/40/49/1080754049.db2.gz BSFDACSAWWDOTJ-INIZCTEOSA-N -1 0 407.423 2.203 20 5 HEBDRM O=C(C[C@H]1CCCCO1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785749 1080797757 /nfs/dbraw/zinc/79/77/57/1080797757.db2.gz KGQJUMNZQRXOJK-SNVBAGLBSA-N -1 0 407.242 2.121 20 5 HEBDRM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1noc(C)n1 ZINC000768836746 1080818829 /nfs/dbraw/zinc/81/88/29/1080818829.db2.gz XJZUFWDZNUBQSY-CQSZACIVSA-N -1 0 410.433 2.424 20 5 HEBDRM Cc1cnn(-c2ccc(C(N)=O)cc2[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768892491 1080835730 /nfs/dbraw/zinc/83/57/30/1080835730.db2.gz UVQMIEGNVKBTNE-UHFFFAOYSA-N -1 0 407.433 2.050 20 5 HEBDRM O=C(CCc1cccc([N+](=O)[O-])c1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000786986395 1080941128 /nfs/dbraw/zinc/94/11/28/1080941128.db2.gz JBNMJOVINMHMAK-UHFFFAOYSA-N -1 0 417.443 2.307 20 5 HEBDRM O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769246317 1081015513 /nfs/dbraw/zinc/01/55/13/1081015513.db2.gz VGMPKKFGEOMROC-UHFFFAOYSA-N -1 0 400.372 2.389 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCCCC(=O)[O-])cc1 ZINC000769495787 1081097035 /nfs/dbraw/zinc/09/70/35/1081097035.db2.gz JVSAEYQVILNULA-UHFFFAOYSA-N -1 0 422.415 2.266 20 5 HEBDRM CCO[C@H]1C[C@@](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1(C)C ZINC000439701096 939189756 /nfs/dbraw/zinc/18/97/56/939189756.db2.gz VKPXFLKFYWWRBV-IFXJQAMLSA-N -1 0 403.391 2.237 20 5 HEBDRM COc1ccc([C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1F ZINC000567179150 939360125 /nfs/dbraw/zinc/36/01/25/939360125.db2.gz ARSXOTPQQYZACA-MRXNPFEDSA-N -1 0 407.354 2.246 20 5 HEBDRM COc1ccc([C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC000573673480 939720447 /nfs/dbraw/zinc/72/04/47/939720447.db2.gz KVICRWPBILMLPO-QGZVFWFLSA-N -1 0 419.390 2.116 20 5 HEBDRM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000769671853 1078512413 /nfs/dbraw/zinc/51/24/13/1078512413.db2.gz FOURPBRNODXKNG-UHFFFAOYSA-N -1 0 407.404 2.499 20 5 HEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000769672090 1078512742 /nfs/dbraw/zinc/51/27/42/1078512742.db2.gz NROKNXWTLLCRSK-UHFFFAOYSA-N -1 0 411.348 2.084 20 5 HEBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000769673437 1078513158 /nfs/dbraw/zinc/51/31/58/1078513158.db2.gz XIFLKABPCFOWEI-UHFFFAOYSA-N -1 0 420.852 2.461 20 5 HEBDRM O=C(NCc1ncccn1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000770057787 1078685964 /nfs/dbraw/zinc/68/59/64/1078685964.db2.gz NOFHCHDXQGQATG-UHFFFAOYSA-N -1 0 413.415 2.116 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc2cnccc21 ZINC000745950526 1078706147 /nfs/dbraw/zinc/70/61/47/1078706147.db2.gz WGZOKTDIGJGIEW-UHFFFAOYSA-N -1 0 402.344 2.170 20 5 HEBDRM COc1ccc2nc(C(=O)[N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000770092729 1078717941 /nfs/dbraw/zinc/71/79/41/1078717941.db2.gz JEDYSXFKRDAAON-UHFFFAOYSA-N -1 0 417.399 2.279 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(C)cc2F)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000745967287 1078711386 /nfs/dbraw/zinc/71/13/86/1078711386.db2.gz JWVALWHAMFTZCY-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1 ZINC000770115564 1078736492 /nfs/dbraw/zinc/73/64/92/1078736492.db2.gz OMXLFMUMQRUZCX-KBPBESRZSA-N -1 0 410.496 2.148 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccnc2OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000770134187 1078743602 /nfs/dbraw/zinc/74/36/02/1078743602.db2.gz QZQUKUYCQLVTJG-UHFFFAOYSA-N -1 0 419.337 2.358 20 5 HEBDRM COC(=O)C1=C(C)N(CCCCC(=O)[O-])C(=O)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1 ZINC000770633963 1078906048 /nfs/dbraw/zinc/90/60/48/1078906048.db2.gz HUVVUCGSVYXMSL-KRWDZBQOSA-N -1 0 421.406 2.372 20 5 HEBDRM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000746417775 1078910872 /nfs/dbraw/zinc/91/08/72/1078910872.db2.gz BXHABYXIYOPMHF-MNOVXSKESA-N -1 0 406.844 2.027 20 5 HEBDRM O=C(Cc1ccc(NC(=O)C2CC2)cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770765988 1078986221 /nfs/dbraw/zinc/98/62/21/1078986221.db2.gz JGBUWLZLIJSSNR-UHFFFAOYSA-N -1 0 421.406 2.130 20 5 HEBDRM C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770771236 1078988846 /nfs/dbraw/zinc/98/88/46/1078988846.db2.gz DOWCDNOEXXNMIZ-NSHDSACASA-N -1 0 419.390 2.054 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)nnn1-c1cccc(C)c1 ZINC000770774281 1078990947 /nfs/dbraw/zinc/99/09/47/1078990947.db2.gz YXMGBVXPZNNZGD-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770775316 1078992512 /nfs/dbraw/zinc/99/25/12/1078992512.db2.gz KQGDBIFNPZAPGG-IINYFYTJSA-N -1 0 421.406 2.447 20 5 HEBDRM COc1ccc(CSCC(=O)[N-]S(=O)(=O)c2ccsc2)cc1[N+](=O)[O-] ZINC000766452432 1079008798 /nfs/dbraw/zinc/00/87/98/1079008798.db2.gz HBQLADHHTUYRBK-UHFFFAOYSA-N -1 0 402.475 2.403 20 5 HEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000770802390 1079023839 /nfs/dbraw/zinc/02/38/39/1079023839.db2.gz HONLGVGIVJZCOE-FLIBITNWSA-N -1 0 418.427 2.188 20 5 HEBDRM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770953159 1079077365 /nfs/dbraw/zinc/07/73/65/1079077365.db2.gz DPFQVDNWLYDKMT-UHFFFAOYSA-N -1 0 411.212 2.257 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)cnn1C1CCOCC1 ZINC000766615102 1079195041 /nfs/dbraw/zinc/19/50/41/1079195041.db2.gz STJWXFFDFDPVOI-UHFFFAOYSA-N -1 0 422.463 2.187 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000766690512 1079282024 /nfs/dbraw/zinc/28/20/24/1079282024.db2.gz MHBCHEDRNMDBMX-UHFFFAOYSA-N -1 0 420.369 2.397 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000737318696 1075899274 /nfs/dbraw/zinc/89/92/74/1075899274.db2.gz NTDJJIZFYOZJBP-UHFFFAOYSA-N -1 0 415.767 2.284 20 5 HEBDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000737314940 1075906203 /nfs/dbraw/zinc/90/62/03/1075906203.db2.gz LVGMGSSGPBWPDS-UHFFFAOYSA-N -1 0 400.796 2.384 20 5 HEBDRM COc1ccc(COCCC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000737343210 1075995987 /nfs/dbraw/zinc/99/59/87/1075995987.db2.gz VSULRBSTJOZQLU-UHFFFAOYSA-N -1 0 400.434 2.077 20 5 HEBDRM O=C(Cc1csc(-c2ccoc2)n1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000739141162 1076050209 /nfs/dbraw/zinc/05/02/09/1076050209.db2.gz ZJYNLFVPZJLHQX-UHFFFAOYSA-N -1 0 407.429 2.500 20 5 HEBDRM CCCS(=O)(=O)[N-]C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000739201185 1076052455 /nfs/dbraw/zinc/05/24/55/1076052455.db2.gz PKDKHAUUSVSHBP-UHFFFAOYSA-N -1 0 419.459 2.361 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)cc(Br)c1C ZINC000740603628 1076212918 /nfs/dbraw/zinc/21/29/18/1076212918.db2.gz KAQQYOPWOLQKAR-UHFFFAOYSA-N -1 0 402.226 2.421 20 5 HEBDRM O=C(C[C@@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741107752 1076360626 /nfs/dbraw/zinc/36/06/26/1076360626.db2.gz LZTKMFOFHCJUFI-NSHDSACASA-N -1 0 409.807 2.179 20 5 HEBDRM CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nn1 ZINC000741113374 1076363892 /nfs/dbraw/zinc/36/38/92/1076363892.db2.gz QJIDBAYKMRZXPU-UHFFFAOYSA-N -1 0 401.832 2.005 20 5 HEBDRM Nc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cc1[N+](=O)[O-] ZINC000742231777 1076802501 /nfs/dbraw/zinc/80/25/01/1076802501.db2.gz WOIGBZRKEFEYNP-UHFFFAOYSA-N -1 0 416.209 2.439 20 5 HEBDRM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000742235153 1076802704 /nfs/dbraw/zinc/80/27/04/1076802704.db2.gz OEMXAXOFFAQQGX-UHFFFAOYSA-N -1 0 414.237 2.186 20 5 HEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000742286040 1076815970 /nfs/dbraw/zinc/81/59/70/1076815970.db2.gz WPTVYNVWJWKXNA-WDEREUQCSA-N -1 0 410.279 2.043 20 5 HEBDRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])cc1 ZINC000744007244 1077302138 /nfs/dbraw/zinc/30/21/38/1077302138.db2.gz YQRQBZJZTHBVSJ-UHFFFAOYSA-N -1 0 421.431 2.268 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cc(N2CCCC2=O)ccc1F ZINC000744009726 1077302935 /nfs/dbraw/zinc/30/29/35/1077302935.db2.gz UHKMVLYQUDJAMJ-UHFFFAOYSA-N -1 0 421.406 2.121 20 5 HEBDRM 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CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000785973343 1080330872 /nfs/dbraw/zinc/33/08/72/1080330872.db2.gz QWXIFGRXOKLXQW-UHFFFAOYSA-N -1 0 423.447 2.422 20 5 HEBDRM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000786100048 1080395971 /nfs/dbraw/zinc/39/59/71/1080395971.db2.gz HNNXVPJFCOIETK-UHFFFAOYSA-N -1 0 409.376 2.409 20 5 HEBDRM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1nc2ccc(Br)cn2n1 ZINC000786184949 1080461827 /nfs/dbraw/zinc/46/18/27/1080461827.db2.gz XMVNYVHFMWLAQU-UHFFFAOYSA-N -1 0 416.188 2.340 20 5 HEBDRM COCCCn1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000768506119 1080596506 /nfs/dbraw/zinc/59/65/06/1080596506.db2.gz VADOYSMDMCKSIQ-UHFFFAOYSA-N -1 0 419.257 2.391 20 5 HEBDRM CC1(C)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)cc21 ZINC000768754520 1080774635 /nfs/dbraw/zinc/77/46/35/1080774635.db2.gz BUWGEDHUPLHSEE-UHFFFAOYSA-N -1 0 403.416 2.084 20 5 HEBDRM 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COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000740531267 1076187424 /nfs/dbraw/zinc/18/74/24/1076187424.db2.gz PURNJWXSWHRMIO-UHFFFAOYSA-N -1 0 412.445 2.226 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000740531310 1076187459 /nfs/dbraw/zinc/18/74/59/1076187459.db2.gz SKTHIXRXOVQIDW-UHFFFAOYSA-N -1 0 406.420 2.115 20 5 HEBDRM O=C(C[C@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000741107747 1076360555 /nfs/dbraw/zinc/36/05/55/1076360555.db2.gz LZTKMFOFHCJUFI-LLVKDONJSA-N -1 0 409.807 2.179 20 5 HEBDRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c2ccccc21 ZINC000742030068 1076726054 /nfs/dbraw/zinc/72/60/54/1076726054.db2.gz RPIOIYYGBXZIJZ-NSHDSACASA-N -1 0 420.399 2.133 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCNC3=O)c2)c([N+](=O)[O-])c1 ZINC000743265135 1077018712 /nfs/dbraw/zinc/01/87/12/1077018712.db2.gz FUBHUTGNYNEYOZ-UHFFFAOYSA-N -1 0 406.420 2.324 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC2CCOCC2)cc1 ZINC000744001763 1077288372 /nfs/dbraw/zinc/28/83/72/1077288372.db2.gz KKMSIAYVIRIQEG-UHFFFAOYSA-N -1 0 406.416 2.271 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000744013327 1077305694 /nfs/dbraw/zinc/30/56/94/1077305694.db2.gz YCYCHOUOCGZQKW-VXGBXAGGSA-N -1 0 412.370 2.490 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000744088171 1077316541 /nfs/dbraw/zinc/31/65/41/1077316541.db2.gz ZZFVROIUZISZSU-KBXCAEBGSA-N -1 0 417.399 2.212 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000744152370 1077332892 /nfs/dbraw/zinc/33/28/92/1077332892.db2.gz OEMWDARAYGRQJP-CABCVRRESA-N -1 0 418.427 2.283 20 5 HEBDRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000744239690 1077347753 /nfs/dbraw/zinc/34/77/53/1077347753.db2.gz WVVCJEVQUDSCER-LBPRGKRZSA-N -1 0 407.452 2.089 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cccc1[N+](=O)[O-] ZINC000744258449 1077352753 /nfs/dbraw/zinc/35/27/53/1077352753.db2.gz FZWHPIMAWMCVLN-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM COc1ccc(CC(=O)[N-]S(=O)(=O)CCSc2ccccc2)cc1[N+](=O)[O-] ZINC000744301459 1077365535 /nfs/dbraw/zinc/36/55/35/1077365535.db2.gz XNWFNHSQHIQQDZ-UHFFFAOYSA-N -1 0 410.473 2.384 20 5 HEBDRM CCc1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)cc1[N+](=O)[O-] ZINC000747300544 1079582251 /nfs/dbraw/zinc/58/22/51/1079582251.db2.gz GIWIZEKOQAKPCA-UHFFFAOYSA-N -1 0 402.388 2.326 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21)c1ccccc1[N+](=O)[O-] ZINC000772661686 1080006314 /nfs/dbraw/zinc/00/63/14/1080006314.db2.gz UGGPYSNYLJXZSV-UHFFFAOYSA-N -1 0 400.416 2.084 20 5 HEBDRM CCN(CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl)c1ccccc1 ZINC000772668731 1080130204 /nfs/dbraw/zinc/13/02/04/1080130204.db2.gz DJMMVPSNZJEIIN-UHFFFAOYSA-N -1 0 412.855 2.162 20 5 HEBDRM O=C([O-])c1coc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000785701497 1080171382 /nfs/dbraw/zinc/17/13/82/1080171382.db2.gz HINBDNQHJSHPKD-UHFFFAOYSA-N -1 0 405.182 2.127 20 5 HEBDRM O=C(OCCC1(O)CC1)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000785659290 1080179805 /nfs/dbraw/zinc/17/98/05/1080179805.db2.gz WWVXZCWFLAISNF-UHFFFAOYSA-N -1 0 406.416 2.467 20 5 HEBDRM O=C([N-]S(=O)(=O)[C@@H]1CCOC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786418960 1080593174 /nfs/dbraw/zinc/59/31/74/1080593174.db2.gz YJEYBAMYCWMAFJ-OAHLLOKOSA-N -1 0 406.416 2.022 20 5 HEBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(CCS(C)(=O)=O)cc2)c1F ZINC000746598949 1080743402 /nfs/dbraw/zinc/74/34/02/1080743402.db2.gz PEPLUPUTFLSLHC-UHFFFAOYSA-N -1 0 416.452 2.430 20 5 HEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1Cc1ccccc1 ZINC000768808643 1080786892 /nfs/dbraw/zinc/78/68/92/1080786892.db2.gz ZLAMDQHHUJNQNW-IBGZPJMESA-N -1 0 417.487 2.248 20 5 HEBDRM CC(C)n1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1 ZINC000768786783 1080798208 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Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-n3ccc(C(N)=O)n3)cc2)cc1[N+](=O)[O-] ZINC000742030000 1076726298 /nfs/dbraw/zinc/72/62/98/1076726298.db2.gz NFFRXJLDEKAJCC-UHFFFAOYSA-N -1 0 419.394 2.128 20 5 HEBDRM O=C([O-])COc1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000742349032 1076832597 /nfs/dbraw/zinc/83/25/97/1076832597.db2.gz HSHBORPYDWOQIW-ZSOIEALJSA-N -1 0 413.411 2.316 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1SCCc2ccccc21 ZINC000744086621 1077316192 /nfs/dbraw/zinc/31/61/92/1077316192.db2.gz QPYBXOBTZVJFKU-HNNXBMFYSA-N -1 0 423.428 2.339 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1[N+](=O)[O-] ZINC000744257366 1077352242 /nfs/dbraw/zinc/35/22/42/1077352242.db2.gz NBMRWELFWZNVGZ-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000744929281 1077656411 /nfs/dbraw/zinc/65/64/11/1077656411.db2.gz DSCRSPDWUUBHCO-SNVBAGLBSA-N -1 0 400.359 2.287 20 5 HEBDRM O=C([O-])[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Cc1ccccc1 ZINC000767132387 1079696027 /nfs/dbraw/zinc/69/60/27/1079696027.db2.gz HOBRYPWLKSYLFO-INIZCTEOSA-N -1 0 413.430 2.105 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)NC(C)C)cc2)ccc1[N+](=O)[O-] ZINC000767456294 1079882753 /nfs/dbraw/zinc/88/27/53/1079882753.db2.gz OWAHIVXEGLWDFM-UHFFFAOYSA-N -1 0 405.432 2.160 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC[C@@H]1C(=O)[O-] ZINC000785702117 1080173129 /nfs/dbraw/zinc/17/31/29/1080173129.db2.gz MCIJIARSESWOLI-SCZZXKLOSA-N -1 0 407.242 2.089 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(Cc2ccccc2F)CC1 ZINC000785888644 1080276753 /nfs/dbraw/zinc/27/67/53/1080276753.db2.gz HMEUSJDYIVLKCO-UHFFFAOYSA-N -1 0 423.378 2.470 20 5 HEBDRM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000785951756 1080314146 /nfs/dbraw/zinc/31/41/46/1080314146.db2.gz YASXMCXNOLELPF-UHFFFAOYSA-N -1 0 409.807 2.356 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cnn(-c2ccncc2)c1C(F)F ZINC000786261968 1080500994 /nfs/dbraw/zinc/50/09/94/1080500994.db2.gz LQPZBTOOLGJDEH-UHFFFAOYSA-N -1 0 423.357 2.232 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc(C)c1F ZINC000786498700 1080658796 /nfs/dbraw/zinc/65/87/96/1080658796.db2.gz WDBJCBNEDQFHHS-UHFFFAOYSA-N -1 0 410.379 2.241 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000768768772 1080754632 /nfs/dbraw/zinc/75/46/32/1080754632.db2.gz FPEKHNLXGJSRGT-UHFFFAOYSA-N -1 0 418.406 2.276 20 5 HEBDRM O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786192 1080797379 /nfs/dbraw/zinc/79/73/79/1080797379.db2.gz OAQNAJPHCLHUMM-UHFFFAOYSA-N -1 0 421.269 2.369 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000787015482 1080932401 /nfs/dbraw/zinc/93/24/01/1080932401.db2.gz AXVWEPHXQPGMEL-RUDMXATFSA-N -1 0 424.406 2.277 20 5 HEBDRM COC(=O)c1nscc1S(=O)(=O)[N-]c1ccc(Br)c([N+](=O)[O-])c1 ZINC000769635865 1081155284 /nfs/dbraw/zinc/15/52/84/1081155284.db2.gz KVDNTSAVUJKGFB-UHFFFAOYSA-N -1 0 422.238 2.401 20 5 HEBDRM Cc1nn(Cc2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)cc2)c(C)c1[N+](=O)[O-] ZINC000432098120 939173216 /nfs/dbraw/zinc/17/32/16/939173216.db2.gz NFOMCWSHYYITCV-SJORKVTESA-N -1 0 416.434 2.066 20 5 HEBDRM COc1ccc([C@@H](NC(=O)NCCc2ccccc2[N+](=O)[O-])C(=O)[O-])c(OC)c1 ZINC000581645319 939779606 /nfs/dbraw/zinc/77/96/06/939779606.db2.gz OXOSQXSIAKNSBY-QGZVFWFLSA-N -1 0 403.391 2.280 20 5 HEBDRM CN(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)cc1F ZINC000770138097 1078744496 /nfs/dbraw/zinc/74/44/96/1078744496.db2.gz LVCNBQRPHSTQEP-UHFFFAOYSA-N -1 0 416.818 2.154 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770149254 1078748348 /nfs/dbraw/zinc/74/83/48/1078748348.db2.gz LKBJTIOKHHQUPK-OKILXGFUSA-N -1 0 412.512 2.394 20 5 HEBDRM CCN(CC)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000746177397 1078811290 /nfs/dbraw/zinc/81/12/90/1078811290.db2.gz LRTDFBQFIHTFHX-MRXNPFEDSA-N -1 0 423.466 2.492 20 5 HEBDRM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c(Cl)s1 ZINC000770634086 1078906665 /nfs/dbraw/zinc/90/66/65/1078906665.db2.gz HWOUTUCKWNXLMW-UHFFFAOYSA-N -1 0 412.854 2.220 20 5 HEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)cc1[N+](=O)[O-] ZINC000770645112 1078915546 /nfs/dbraw/zinc/91/55/46/1078915546.db2.gz NDUIZGFMVHIXBC-UHFFFAOYSA-N -1 0 423.838 2.242 20 5 HEBDRM COc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000766396737 1078950479 /nfs/dbraw/zinc/95/04/79/1078950479.db2.gz GVZDNOVOXLXINM-UHFFFAOYSA-N -1 0 408.432 2.395 20 5 HEBDRM CC(C)C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770768683 1078988374 /nfs/dbraw/zinc/98/83/74/1078988374.db2.gz ULSNEVOOLMEUCR-UHFFFAOYSA-N -1 0 409.395 2.447 20 5 HEBDRM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770772855 1078990665 /nfs/dbraw/zinc/99/06/65/1078990665.db2.gz QDLWUPBJMATDHB-QMTHXVAHSA-N -1 0 421.406 2.447 20 5 HEBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770775421 1078991915 /nfs/dbraw/zinc/99/19/15/1078991915.db2.gz MGYJHWGKUOGJCQ-UHFFFAOYSA-N -1 0 415.380 2.239 20 5 HEBDRM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770775315 1078992579 /nfs/dbraw/zinc/99/25/79/1078992579.db2.gz KQGDBIFNPZAPGG-HZMBPMFUSA-N -1 0 421.406 2.447 20 5 HEBDRM COc1cc(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc(OC)c1 ZINC000770776916 1079009245 /nfs/dbraw/zinc/00/92/45/1079009245.db2.gz WWZCRTJUPBQTOB-UHFFFAOYSA-N -1 0 412.395 2.189 20 5 HEBDRM COc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc2c1O[C@@H](C)C2 ZINC000770776908 1079009259 /nfs/dbraw/zinc/00/92/59/1079009259.db2.gz WVWLZKKCNDAOLI-VIFPVBQESA-N -1 0 410.379 2.185 20 5 HEBDRM O=C(CCNc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000746454517 1079004306 /nfs/dbraw/zinc/00/43/06/1079004306.db2.gz DEXGSYSLLJDXSF-UHFFFAOYSA-N -1 0 423.838 2.203 20 5 HEBDRM NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000770855851 1079040494 /nfs/dbraw/zinc/04/04/94/1079040494.db2.gz GTOQFQVSJADBBI-OCKNTNFFSA-N -1 0 424.413 2.042 20 5 HEBDRM CCc1cccnc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000766661650 1079226580 /nfs/dbraw/zinc/22/65/80/1079226580.db2.gz MISRJSHBURASMT-UHFFFAOYSA-N -1 0 414.237 2.433 20 5 HEBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](CO)C1 ZINC000739898894 1079326448 /nfs/dbraw/zinc/32/64/48/1079326448.db2.gz PVPVAHJVFYCMFJ-CYBMUJFWSA-N -1 0 407.448 2.223 20 5 HEBDRM O=C(CCc1cccc(C(F)(F)F)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000766872624 1079468326 /nfs/dbraw/zinc/46/83/26/1079468326.db2.gz LKZDKNVGUTWGPY-UHFFFAOYSA-N -1 0 403.338 2.446 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2cccc(-n3cccn3)n2)cc1[N+](=O)[O-] ZINC000737319006 1075899263 /nfs/dbraw/zinc/89/92/63/1075899263.db2.gz RPNHINVERAZFLF-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737322365 1075899639 /nfs/dbraw/zinc/89/96/39/1075899639.db2.gz DYJPSWUEUNACDI-UHFFFAOYSA-N -1 0 403.731 2.414 20 5 HEBDRM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000737325419 1075899859 /nfs/dbraw/zinc/89/98/59/1075899859.db2.gz DBILLRKSADQVFQ-UHFFFAOYSA-N -1 0 417.852 2.065 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2coc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000739138261 1076049810 /nfs/dbraw/zinc/04/98/10/1076049810.db2.gz HRTFWIXWSQWWNN-UHFFFAOYSA-N -1 0 403.372 2.377 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)[C@@H](C)c2ccccc2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000737350538 1076067202 /nfs/dbraw/zinc/06/72/02/1076067202.db2.gz AQLHLVNCDLMREV-ZDUSSCGKSA-N -1 0 415.431 2.305 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(OCC(F)(F)F)n1 ZINC000740523377 1076204815 /nfs/dbraw/zinc/20/48/15/1076204815.db2.gz LSMNZPZKOHYSTR-UHFFFAOYSA-N -1 0 405.310 2.050 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2cn(CCC(C)C)nn2)cc1[N+](=O)[O-] ZINC000741110058 1076363287 /nfs/dbraw/zinc/36/32/87/1076363287.db2.gz ITMDBWTWZPKCLP-UHFFFAOYSA-N -1 0 415.859 2.313 20 5 HEBDRM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000742273854 1076807743 /nfs/dbraw/zinc/80/77/43/1076807743.db2.gz SUGKABDJPBKQJQ-UHFFFAOYSA-N -1 0 408.219 2.203 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCNC2=O)c1 ZINC000743263063 1077017018 /nfs/dbraw/zinc/01/70/18/1077017018.db2.gz CLUMEFAKUOBSEA-UHFFFAOYSA-N -1 0 406.420 2.324 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744009030 1077303396 /nfs/dbraw/zinc/30/33/96/1077303396.db2.gz ITFKAMMMTQOOCL-HZPDHXFCSA-N -1 0 418.427 2.116 20 5 HEBDRM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000744013062 1077305648 /nfs/dbraw/zinc/30/56/48/1077305648.db2.gz SLHRLTAXZFTKLQ-UHFFFAOYSA-N -1 0 421.431 2.379 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000744088172 1077316554 /nfs/dbraw/zinc/31/65/54/1077316554.db2.gz ZZFVROIUZISZSU-KDOFPFPSSA-N -1 0 417.399 2.212 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744131826 1077326419 /nfs/dbraw/zinc/32/64/19/1077326419.db2.gz IPEAONKHZAYSEN-VXGBXAGGSA-N -1 0 410.429 2.036 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744131823 1077326529 /nfs/dbraw/zinc/32/65/29/1077326529.db2.gz IPEAONKHZAYSEN-NEPJUHHUSA-N -1 0 410.429 2.036 20 5 HEBDRM O=C([N-]S(=O)(=O)CCSc1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000744301086 1077365055 /nfs/dbraw/zinc/36/50/55/1077365055.db2.gz UZRWDMGINDKCOD-UHFFFAOYSA-N -1 0 424.456 2.218 20 5 HEBDRM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000767085911 1079669166 /nfs/dbraw/zinc/66/91/66/1079669166.db2.gz BXXCUBJFYZGYDK-UHFFFAOYSA-N -1 0 412.402 2.262 20 5 HEBDRM Cc1sc(S(=O)(=O)[N-]c2ccc(N3CCC(C(N)=O)CC3)cc2)cc1[N+](=O)[O-] ZINC000767448315 1079876368 /nfs/dbraw/zinc/87/63/68/1079876368.db2.gz ATFIOGYQCBZNJD-UHFFFAOYSA-N -1 0 424.504 2.467 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CN(C)c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000772634126 1079992696 /nfs/dbraw/zinc/99/26/96/1079992696.db2.gz ZPYODGLRUAISDC-UHFFFAOYSA-N -1 0 422.419 2.061 20 5 HEBDRM COCCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)n(C)n1 ZINC000767716058 1080049182 /nfs/dbraw/zinc/04/91/82/1080049182.db2.gz INGGGZZTXMDYNC-UHFFFAOYSA-N -1 0 419.257 2.081 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)Cc2cccc3cccnc32)cc1[N+](=O)[O-] ZINC000772671223 1080238505 /nfs/dbraw/zinc/23/85/05/1080238505.db2.gz UDABSJOTLLRDRW-UHFFFAOYSA-N -1 0 420.834 2.426 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2cn3ccnc3s2)cc1[N+](=O)[O-] ZINC000785876324 1080271909 /nfs/dbraw/zinc/27/19/09/1080271909.db2.gz NCMDNVNFGZKGNK-UHFFFAOYSA-N -1 0 400.825 2.385 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000785974799 1080332700 /nfs/dbraw/zinc/33/27/00/1080332700.db2.gz KHKCQVVOJCPFBO-UHFFFAOYSA-N -1 0 421.431 2.176 20 5 HEBDRM Cc1cc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)cc([N+](=O)[O-])c1F ZINC000768268282 1080451616 /nfs/dbraw/zinc/45/16/16/1080451616.db2.gz GRKRZSABHVQVEG-UHFFFAOYSA-N -1 0 412.351 2.313 20 5 HEBDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786417440 1080592849 /nfs/dbraw/zinc/59/28/49/1080592849.db2.gz IPNDXOHQVZJSBW-ZDUSSCGKSA-N -1 0 408.432 2.268 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(OC(F)(F)Cl)cc1 ZINC000786455984 1080637688 /nfs/dbraw/zinc/63/76/88/1080637688.db2.gz YBPJOKOWARYRPV-UHFFFAOYSA-N -1 0 407.738 2.276 20 5 HEBDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C ZINC000786458260 1080639452 /nfs/dbraw/zinc/63/94/52/1080639452.db2.gz XVFTYPNFPKHCTN-KOLCDFICSA-N -1 0 419.481 2.107 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)cc(C)c1F ZINC000786510421 1080664793 /nfs/dbraw/zinc/66/47/93/1080664793.db2.gz SCVJCSSHAFLYLH-UHFFFAOYSA-N -1 0 410.379 2.241 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CC1(Cl)Cl ZINC000768787187 1080798215 /nfs/dbraw/zinc/79/82/15/1080798215.db2.gz VZEFVIKDDJJDGX-ZCFIWIBFSA-N -1 0 418.052 2.356 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000786769923 1080811684 /nfs/dbraw/zinc/81/16/84/1080811684.db2.gz GTOOAMABKCVMKO-LBPRGKRZSA-N -1 0 416.312 2.391 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000786995457 1080906443 /nfs/dbraw/zinc/90/64/43/1080906443.db2.gz CCGJGEJZEGJUDI-UHFFFAOYSA-N -1 0 416.770 2.376 20 5 HEBDRM O=C(c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000769187391 1080997913 /nfs/dbraw/zinc/99/79/13/1080997913.db2.gz BZGSJJTXISTXHJ-MRXNPFEDSA-N -1 0 412.431 2.473 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCO2 ZINC000580613963 939772246 /nfs/dbraw/zinc/77/22/46/939772246.db2.gz AFBYGLPRFJVWRT-KRWDZBQOSA-N -1 0 401.375 2.034 20 5 HEBDRM O=C([O-])[C@@]1(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000610846282 939807992 /nfs/dbraw/zinc/80/79/92/939807992.db2.gz YYJORKADZPIOAW-LJQANCHMSA-N -1 0 417.805 2.021 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cccnc2OCC(C)C)ccc1[N+](=O)[O-] ZINC000770151569 1078730625 /nfs/dbraw/zinc/73/06/25/1078730625.db2.gz XQMNHLHTSMNTCK-UHFFFAOYSA-N -1 0 409.420 2.152 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccnc2OCC(F)F)ccc1[N+](=O)[O-] ZINC000770134842 1078743559 /nfs/dbraw/zinc/74/35/59/1078743559.db2.gz VROJGKHWYDNIBS-UHFFFAOYSA-N -1 0 401.347 2.061 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cn1 ZINC000770150723 1078748681 /nfs/dbraw/zinc/74/86/81/1078748681.db2.gz XBJPCKIPUDEXPA-UHFFFAOYSA-N -1 0 421.479 2.166 20 5 HEBDRM COc1ccc2nc(C(=O)[N-]S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000770154562 1078756055 /nfs/dbraw/zinc/75/60/55/1078756055.db2.gz UYXLZZDTKYWUJG-UHFFFAOYSA-N -1 0 415.427 2.454 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])nc1C ZINC000770199983 1078759565 /nfs/dbraw/zinc/75/95/65/1078759565.db2.gz FORSBISCWXZDQB-UHFFFAOYSA-N -1 0 417.241 2.001 20 5 HEBDRM Cc1cc(=O)c(C(=O)NCCCCCCC(=O)[O-])nn1-c1ccccc1[N+](=O)[O-] ZINC000746368137 1078877403 /nfs/dbraw/zinc/87/74/03/1078877403.db2.gz WNNBJJYDGPDNGV-UHFFFAOYSA-N -1 0 402.407 2.214 20 5 HEBDRM O=C(CCCOc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000766365471 1078921146 /nfs/dbraw/zinc/92/11/46/1078921146.db2.gz OVXNFODHRYKBDE-UHFFFAOYSA-N -1 0 414.417 2.049 20 5 HEBDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000746426599 1078925904 /nfs/dbraw/zinc/92/59/04/1078925904.db2.gz CBTYJAFVGRSGGW-UHFFFAOYSA-N -1 0 402.384 2.370 20 5 HEBDRM O=C([N-]S(=O)(=O)C1=Cc2ccccc2CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000746427485 1078937649 /nfs/dbraw/zinc/93/76/49/1078937649.db2.gz INXQUJRJQPKSLZ-UHFFFAOYSA-N -1 0 416.411 2.413 20 5 HEBDRM O=C(CCCOc1ccc2c(c1)CCC2)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000766388916 1078959784 /nfs/dbraw/zinc/95/97/84/1078959784.db2.gz MVPJFJUTZDUZMX-UHFFFAOYSA-N -1 0 405.432 2.143 20 5 HEBDRM Cc1ccn(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2)n1 ZINC000770774215 1078990986 /nfs/dbraw/zinc/99/09/86/1078990986.db2.gz XRPGVXKSRYQXHR-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM CN(C(=O)C1CC1)c1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770774270 1078991157 /nfs/dbraw/zinc/99/11/57/1078991157.db2.gz YMNIPLBHVMLQMS-UHFFFAOYSA-N -1 0 421.406 2.225 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1csc(Nc2ccccn2)n1 ZINC000770773642 1078991967 /nfs/dbraw/zinc/99/19/67/1078991967.db2.gz SZIXDFSYPWJOGO-UHFFFAOYSA-N -1 0 423.407 2.448 20 5 HEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770775486 1078992036 /nfs/dbraw/zinc/99/20/36/1078992036.db2.gz NWRQYBKBCJGDIM-UHFFFAOYSA-N -1 0 422.350 2.102 20 5 HEBDRM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770776115 1078993137 /nfs/dbraw/zinc/99/31/37/1078993137.db2.gz SRSXNBQZSNIWCG-CYBMUJFWSA-N -1 0 419.431 2.088 20 5 HEBDRM CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770745715 1079002572 /nfs/dbraw/zinc/00/25/72/1079002572.db2.gz ICZPTBAKVKTNRC-UHFFFAOYSA-N -1 0 418.225 2.335 20 5 HEBDRM O=C(/C=C\C1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749885 1079005002 /nfs/dbraw/zinc/00/50/02/1079005002.db2.gz ZYTXJMXAFSRXHU-RJRFIUFISA-N -1 0 419.253 2.145 20 5 HEBDRM COc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770750028 1079005075 /nfs/dbraw/zinc/00/50/75/1079005075.db2.gz SNIXCBSIIDLICF-UHFFFAOYSA-N -1 0 415.221 2.485 20 5 HEBDRM CCc1ocnc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749893 1079005162 /nfs/dbraw/zinc/00/51/62/1079005162.db2.gz PFFMQWYGHKZSAE-UHFFFAOYSA-N -1 0 404.198 2.026 20 5 HEBDRM C[C@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770776839 1079008902 /nfs/dbraw/zinc/00/89/02/1079008902.db2.gz UNCIUCYFABEDIZ-QMMMGPOBSA-N -1 0 404.322 2.285 20 5 HEBDRM CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000766496350 1079038945 /nfs/dbraw/zinc/03/89/45/1079038945.db2.gz DWWBCINYCJKUAS-UHFFFAOYSA-N -1 0 419.868 2.266 20 5 HEBDRM CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000770835479 1079052689 /nfs/dbraw/zinc/05/26/89/1079052689.db2.gz XBIJVZNKBKPFQK-CYBMUJFWSA-N -1 0 415.468 2.320 20 5 HEBDRM Cc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000770890013 1079065149 /nfs/dbraw/zinc/06/51/49/1079065149.db2.gz KMHWBEZPICZIEA-UHFFFAOYSA-N -1 0 414.443 2.391 20 5 HEBDRM O=C(/C=C\c1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771280029 1079265790 /nfs/dbraw/zinc/26/57/90/1079265790.db2.gz LLYIFEGZIKSELQ-RJRFIUFISA-N -1 0 412.767 2.070 20 5 HEBDRM CC[C@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000766878393 1079472180 /nfs/dbraw/zinc/47/21/80/1079472180.db2.gz MVQLAQZCFJANRA-SWLSCSKDSA-N -1 0 400.453 2.394 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1cccc(Oc2cnccn2)c1 ZINC000737321891 1075899238 /nfs/dbraw/zinc/89/92/38/1075899238.db2.gz CXDUZWKDHUWIFS-UHFFFAOYSA-N -1 0 418.362 2.435 20 5 HEBDRM CC(C)(C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000740543907 1076189930 /nfs/dbraw/zinc/18/99/30/1076189930.db2.gz XVIXYRCORYVPQY-UHFFFAOYSA-N -1 0 409.489 2.353 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CCCOc1ccc2c(c1)OCO2 ZINC000766275732 1076583311 /nfs/dbraw/zinc/58/33/11/1076583311.db2.gz BGIZVFMNWOUWGP-UHFFFAOYSA-N -1 0 422.415 2.296 20 5 HEBDRM O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C[C@H]1CN2CCC[C@H]2CO1 ZINC000742286039 1076815931 /nfs/dbraw/zinc/81/59/31/1076815931.db2.gz WPTVYNVWJWKXNA-QWRGUYRKSA-N -1 0 410.279 2.043 20 5 HEBDRM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000743267057 1077018616 /nfs/dbraw/zinc/01/86/16/1077018616.db2.gz YNRNYTRDLPJWBT-UHFFFAOYSA-N -1 0 412.351 2.108 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-n1cncn1 ZINC000744001783 1077288428 /nfs/dbraw/zinc/28/84/28/1077288428.db2.gz LEEPPSIOTWMXQX-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccnc(OCC(F)(F)F)c1 ZINC000744009853 1077303374 /nfs/dbraw/zinc/30/33/74/1077303374.db2.gz WALKLMSVRDUJRJ-UHFFFAOYSA-N -1 0 419.337 2.191 20 5 HEBDRM 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O=C(Cc1cccc2cccnc21)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000772650708 1080012558 /nfs/dbraw/zinc/01/25/58/1080012558.db2.gz DVEYSSNOQRNMMG-UHFFFAOYSA-N -1 0 416.371 2.099 20 5 HEBDRM CCOC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000785515326 1080030248 /nfs/dbraw/zinc/03/02/48/1080030248.db2.gz NQXVRWRCCLNBHG-UHFFFAOYSA-N -1 0 422.415 2.424 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC[C@H](C)CO)cc2)cc1[N+](=O)[O-] ZINC000785545734 1080052119 /nfs/dbraw/zinc/05/21/19/1080052119.db2.gz VKZAFLLHUSNCJD-GFCCVEGCSA-N -1 0 408.432 2.489 20 5 HEBDRM CN(CCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000796895643 1080265449 /nfs/dbraw/zinc/26/54/49/1080265449.db2.gz CFTLNWTZBKFODI-UHFFFAOYSA-N -1 0 421.859 2.310 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000785972438 1080329786 /nfs/dbraw/zinc/32/97/86/1080329786.db2.gz LYKLRMKPEWBDPO-UHFFFAOYSA-N -1 0 407.448 2.342 20 5 HEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000786645929 1080753960 /nfs/dbraw/zinc/75/39/60/1080753960.db2.gz PEYIKCLJDJQSIX-UHFFFAOYSA-N -1 0 419.459 2.113 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccn(-c3ccc(F)cc3)n2)ccc1[N+](=O)[O-] ZINC000768782173 1080795149 /nfs/dbraw/zinc/79/51/49/1080795149.db2.gz KUFPAPHHPVSPJJ-UHFFFAOYSA-N -1 0 418.406 2.276 20 5 HEBDRM O=C(CCc1nccs1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768783950 1080796350 /nfs/dbraw/zinc/79/63/50/1080796350.db2.gz ISGOEJLJCSQCPX-UHFFFAOYSA-N -1 0 420.266 2.252 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1cc(C2CC2)n[nH]1 ZINC000768785582 1080796441 /nfs/dbraw/zinc/79/64/41/1080796441.db2.gz VPFVZVFWROBLRY-UHFFFAOYSA-N -1 0 415.225 2.077 20 5 HEBDRM CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786166 1080797442 /nfs/dbraw/zinc/79/74/42/1080797442.db2.gz ZYZPALNDXLHKPK-UHFFFAOYSA-N -1 0 417.241 2.001 20 5 HEBDRM CC1(C)C(=O)Nc2ccc(C(=O)[N-]S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000768839539 1080819905 /nfs/dbraw/zinc/81/99/05/1080819905.db2.gz NXQGLBHEFKKLMI-UHFFFAOYSA-N -1 0 417.443 2.127 20 5 HEBDRM Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000786779742 1080820285 /nfs/dbraw/zinc/82/02/85/1080820285.db2.gz UTFPGYOKJYXNEJ-GWCFXTLKSA-N -1 0 419.356 2.477 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000768863911 1080843909 /nfs/dbraw/zinc/84/39/09/1080843909.db2.gz DZTTVBULBSLZRZ-UHFFFAOYSA-N -1 0 400.390 2.030 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)cs1 ZINC000768864046 1080844463 /nfs/dbraw/zinc/84/44/63/1080844463.db2.gz IXBDVTBSKQAION-UHFFFAOYSA-N -1 0 417.490 2.242 20 5 HEBDRM CS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000786895868 1080873699 /nfs/dbraw/zinc/87/36/99/1080873699.db2.gz FCCDENNYBXPRFJ-UHFFFAOYSA-N -1 0 410.882 2.192 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(C)(C)C)n1 ZINC000768963916 1080885303 /nfs/dbraw/zinc/88/53/03/1080885303.db2.gz NVQRVTCOKDZARV-UHFFFAOYSA-N -1 0 400.844 2.398 20 5 HEBDRM O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769245694 1081015590 /nfs/dbraw/zinc/01/55/90/1081015590.db2.gz LZKGVSVNAJMLEY-UHFFFAOYSA-N -1 0 422.444 2.332 20 5 HEBDRM CCO[C@@H]1C[C@](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699894 939189280 /nfs/dbraw/zinc/18/92/80/939189280.db2.gz VXRXFXLKNIESTR-BEFAXECRSA-N -1 0 402.407 2.169 20 5 HEBDRM Cc1cc(=O)c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000610847824 939808369 /nfs/dbraw/zinc/80/83/69/939808369.db2.gz VSZSZNCIYJBKAC-NRFANRHFSA-N -1 0 422.397 2.179 20 5 HEBDRM C[C@@](O)(CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000769746802 1078557965 /nfs/dbraw/zinc/55/79/65/1078557965.db2.gz ORMODVWRRVZDFM-GOSISDBHSA-N -1 0 421.793 2.066 20 5 HEBDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cnn(C)c2C2CC2)cc([N+](=O)[O-])c1C ZINC000769867789 1078588539 /nfs/dbraw/zinc/58/85/39/1078588539.db2.gz ICCCONYKPIGILJ-UHFFFAOYSA-N -1 0 408.436 2.492 20 5 HEBDRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770132276 1078742845 /nfs/dbraw/zinc/74/28/45/1078742845.db2.gz QCMHUSVWUNOMEL-KBPBESRZSA-N -1 0 413.496 2.173 20 5 HEBDRM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000746054276 1078763894 /nfs/dbraw/zinc/76/38/94/1078763894.db2.gz PWLQJWVNNUJLHE-UHFFFAOYSA-N -1 0 406.825 2.158 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1C ZINC000770211116 1078789425 /nfs/dbraw/zinc/78/94/25/1078789425.db2.gz NPGIFBASXDKAFD-UHFFFAOYSA-N -1 0 406.342 2.257 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000770616810 1078917574 /nfs/dbraw/zinc/91/75/74/1078917574.db2.gz GYKJGMMHXISLRL-ZDUSSCGKSA-N -1 0 421.479 2.479 20 5 HEBDRM O=C(CCc1cnn(-c2ccccc2)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770770737 1078989494 /nfs/dbraw/zinc/98/94/94/1078989494.db2.gz ARXYIWKUEFWQAB-UHFFFAOYSA-N -1 0 418.406 2.357 20 5 HEBDRM CC(=O)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770771834 1078989977 /nfs/dbraw/zinc/98/99/77/1078989977.db2.gz GVIZHFGYMLVDDA-LLVKDONJSA-N -1 0 410.379 2.209 20 5 HEBDRM Cn1cc(-c2cccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2)cn1 ZINC000770775491 1078992130 /nfs/dbraw/zinc/99/21/30/1078992130.db2.gz NZNGFHMGYCXIIO-UHFFFAOYSA-N -1 0 404.379 2.253 20 5 HEBDRM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[N-]S(=O)(=O)c2ccsc2)ccc1[N+](=O)[O-] ZINC000766451272 1079008449 /nfs/dbraw/zinc/00/84/49/1079008449.db2.gz HPLCXIKUAKZOSB-HNNXBMFYSA-N -1 0 423.472 2.074 20 5 HEBDRM CCCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770746711 1079003256 /nfs/dbraw/zinc/00/32/56/1079003256.db2.gz MEYLGPNIJNQNEZ-VIFPVBQESA-N -1 0 409.258 2.367 20 5 HEBDRM O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770750733 1079006271 /nfs/dbraw/zinc/00/62/71/1079006271.db2.gz XFUNRKDRBWNLKM-UHFFFAOYSA-N -1 0 405.251 2.466 20 5 HEBDRM O=C(CCc1cccc2c1OCO2)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770819285 1079031755 /nfs/dbraw/zinc/03/17/55/1079031755.db2.gz QXFVHZPWTRSAHC-UHFFFAOYSA-N -1 0 412.807 2.415 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000770819201 1079031835 /nfs/dbraw/zinc/03/18/35/1079031835.db2.gz QAXJBVZCMFVJLD-UHFFFAOYSA-N -1 0 413.415 2.376 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccn2)cc1[N+](=O)[O-] ZINC000770835687 1079053483 /nfs/dbraw/zinc/05/34/83/1079053483.db2.gz POCLEQNBZFYMTM-UHFFFAOYSA-N -1 0 411.823 2.420 20 5 HEBDRM CCc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)cnn1-c1ccccc1C ZINC000770887221 1079062011 /nfs/dbraw/zinc/06/20/11/1079062011.db2.gz CDBJDJIZGFFXOP-UHFFFAOYSA-N -1 0 415.431 2.165 20 5 HEBDRM Cc1cc2c(cc1C)[C@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CO2 ZINC000770888977 1079064383 /nfs/dbraw/zinc/06/43/83/1079064383.db2.gz DEZGFLCHCFVWRZ-QGZVFWFLSA-N -1 0 404.444 2.376 20 5 HEBDRM O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000766679103 1079250741 /nfs/dbraw/zinc/25/07/41/1079250741.db2.gz UDSLGNPBZOWSNY-UHFFFAOYSA-N -1 0 406.342 2.183 20 5 HEBDRM CC(C)c1n[nH]c(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000771525797 1079370809 /nfs/dbraw/zinc/37/08/09/1079370809.db2.gz FKLBAIXROYLEPA-LJQANCHMSA-N -1 0 414.422 2.029 20 5 HEBDRM O=C(Nc1nc(Br)ccc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000771574902 1079377520 /nfs/dbraw/zinc/37/75/20/1079377520.db2.gz HMSLTENMCTVBIR-UHFFFAOYSA-N -1 0 405.168 2.291 20 5 HEBDRM O=C(N[C@@H]1CCc2cncn2C1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804337086 1079380244 /nfs/dbraw/zinc/38/02/44/1079380244.db2.gz ULQZNICJPUKCII-LLVKDONJSA-N -1 0 402.798 2.081 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCCc2sccc21 ZINC000771593898 1079389635 /nfs/dbraw/zinc/38/96/35/1079389635.db2.gz QPMYAFGRJJSESN-NSHDSACASA-N -1 0 411.417 2.490 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)nc1Cl ZINC000766865832 1079459602 /nfs/dbraw/zinc/45/96/02/1079459602.db2.gz MHOTWBIOZPZBEE-UHFFFAOYSA-N -1 0 421.218 2.006 20 5 HEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)s1 ZINC000737321967 1075899618 /nfs/dbraw/zinc/89/96/18/1075899618.db2.gz DNSZSZUKFTUACN-UHFFFAOYSA-N -1 0 404.809 2.215 20 5 HEBDRM CC(C)(C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000740525561 1076205928 /nfs/dbraw/zinc/20/59/28/1076205928.db2.gz WZCLLBDUBGABKZ-UHFFFAOYSA-N -1 0 406.416 2.149 20 5 HEBDRM CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000742029913 1076725288 /nfs/dbraw/zinc/72/52/88/1076725288.db2.gz WOAOENCNIODGEY-UHFFFAOYSA-N -1 0 411.411 2.358 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 ZINC000743267039 1077018598 /nfs/dbraw/zinc/01/85/98/1077018598.db2.gz XTCBLJMMVFAYQD-UHFFFAOYSA-N -1 0 411.348 2.099 20 5 HEBDRM CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000743462659 1077055940 /nfs/dbraw/zinc/05/59/40/1077055940.db2.gz MCKVDRWHXSZIRF-UHFFFAOYSA-N -1 0 417.852 2.065 20 5 HEBDRM O=C(Cc1ccc(NC(=O)C2CC2)cc1)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000744008718 1077302739 /nfs/dbraw/zinc/30/27/39/1077302739.db2.gz ABABTWHDOSHKJW-UHFFFAOYSA-N -1 0 417.443 2.132 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744009029 1077303386 /nfs/dbraw/zinc/30/33/86/1077303386.db2.gz ITFKAMMMTQOOCL-HOTGVXAUSA-N -1 0 418.427 2.116 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000744041002 1077312269 /nfs/dbraw/zinc/31/22/69/1077312269.db2.gz PYNCACZATODXKT-UHFFFAOYSA-N -1 0 419.337 2.358 20 5 HEBDRM COc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2ccccc2OC)cc1SC ZINC000744209265 1077341199 /nfs/dbraw/zinc/34/11/99/1077341199.db2.gz PAPOBIKEKOUQKY-UHFFFAOYSA-N -1 0 412.445 2.453 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1[N+](=O)[O-] ZINC000744257389 1077352138 /nfs/dbraw/zinc/35/21/38/1077352138.db2.gz NYWMNCYDLFLOQL-UHFFFAOYSA-N -1 0 420.378 2.047 20 5 HEBDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)CCn2cc([N+](=O)[O-])cn2)c2ccccc12 ZINC000744261009 1077353094 /nfs/dbraw/zinc/35/30/94/1077353094.db2.gz WRHDYKQJSNNEDD-UHFFFAOYSA-N -1 0 418.431 2.238 20 5 HEBDRM O=C([N-]S(=O)(=O)CCSc1ccccc1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000744299029 1077364095 /nfs/dbraw/zinc/36/40/95/1077364095.db2.gz KFZUWBDQXYHXDV-UHFFFAOYSA-N -1 0 424.456 2.218 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000766319714 1077443939 /nfs/dbraw/zinc/44/39/39/1077443939.db2.gz CVTHCFGPNHAIHI-UHFFFAOYSA-N -1 0 411.411 2.385 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000766902779 1079515152 /nfs/dbraw/zinc/51/51/52/1079515152.db2.gz NIBSOLOBXYPKJH-UHFFFAOYSA-N -1 0 400.210 2.012 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cn(-c3ccc(F)cc3C)nn2)ccc1[N+](=O)[O-] ZINC000767457366 1079883661 /nfs/dbraw/zinc/88/36/61/1079883661.db2.gz WHHAOAHOBVVUEW-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)c1cccc2cnccc21)c1ccccc1[N+](=O)[O-] ZINC000772661441 1080026908 /nfs/dbraw/zinc/02/69/08/1080026908.db2.gz VNZJEVNJHJFSFS-UHFFFAOYSA-N -1 0 400.416 2.084 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000785701238 1080172458 /nfs/dbraw/zinc/17/24/58/1080172458.db2.gz BJEFHLNPVQMMFK-WPRPVWTQSA-N -1 0 407.242 2.089 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(CN3CCOCC3)n2)ccc1Cl ZINC000768015163 1080283808 /nfs/dbraw/zinc/28/38/08/1080283808.db2.gz COGCZBVHYFOITF-UHFFFAOYSA-N -1 0 412.855 2.276 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000785973280 1080330819 /nfs/dbraw/zinc/33/08/19/1080330819.db2.gz QBAFUXVOCXIGQU-UHFFFAOYSA-N -1 0 407.404 2.133 20 5 HEBDRM Cn1cc(-c2ncccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000786103260 1080397600 /nfs/dbraw/zinc/39/76/00/1080397600.db2.gz CFZVDTVPWSDZHV-UHFFFAOYSA-N -1 0 404.364 2.099 20 5 HEBDRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000768251292 1080441375 /nfs/dbraw/zinc/44/13/75/1080441375.db2.gz HTVUYMCNUUXUHX-UHFFFAOYSA-N -1 0 413.839 2.134 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)cc([N+](=O)[O-])c1F ZINC000768272460 1080454621 /nfs/dbraw/zinc/45/46/21/1080454621.db2.gz PJWGUUBBPKWGOM-UHFFFAOYSA-N -1 0 419.394 2.128 20 5 HEBDRM Cc1cc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)cc([N+](=O)[O-])c1F ZINC000768280101 1080482530 /nfs/dbraw/zinc/48/25/30/1080482530.db2.gz PTZRNXBYWVSSOQ-UHFFFAOYSA-N -1 0 412.351 2.313 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2c2ccccc2)c([N+](=O)[O-])c1 ZINC000786273385 1080521478 /nfs/dbraw/zinc/52/14/78/1080521478.db2.gz PISYWSFNUPOVKV-HNNXBMFYSA-N -1 0 405.432 2.077 20 5 HEBDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786402521 1080587527 /nfs/dbraw/zinc/58/75/27/1080587527.db2.gz ZKUJOMOOAJQFIY-UHFFFAOYSA-N -1 0 407.448 2.489 20 5 HEBDRM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786483537 1080625766 /nfs/dbraw/zinc/62/57/66/1080625766.db2.gz DVHMDSYQGSWMPK-MRXNPFEDSA-N -1 0 420.443 2.412 20 5 HEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000786644258 1080753176 /nfs/dbraw/zinc/75/31/76/1080753176.db2.gz XOGGXRZBKJAHPI-UHFFFAOYSA-N -1 0 400.416 2.462 20 5 HEBDRM O=C(COC1CCCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786132 1080797302 /nfs/dbraw/zinc/79/73/02/1080797302.db2.gz YPIBLGXFHBABNW-UHFFFAOYSA-N -1 0 407.242 2.121 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cs1 ZINC000768879839 1080829509 /nfs/dbraw/zinc/82/95/09/1080829509.db2.gz ABNLUDYCQSYJGU-UHFFFAOYSA-N -1 0 421.453 2.136 20 5 HEBDRM Cc1ccc(C(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768881990 1080830599 /nfs/dbraw/zinc/83/05/99/1080830599.db2.gz PCFNKQOLZMSHGG-UHFFFAOYSA-N -1 0 411.461 2.238 20 5 HEBDRM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nn2)cc1[N+](=O)[O-] ZINC000786881442 1080884839 /nfs/dbraw/zinc/88/48/39/1080884839.db2.gz FOWCLBYSNAILFC-UHFFFAOYSA-N -1 0 421.313 2.383 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000786992966 1080903734 /nfs/dbraw/zinc/90/37/34/1080903734.db2.gz OQUJSLVRRNBWLN-UHFFFAOYSA-N -1 0 407.379 2.127 20 5 HEBDRM CC[C@@H](NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1)C(=O)[O-] ZINC000769564305 1081127070 /nfs/dbraw/zinc/12/70/70/1081127070.db2.gz TTZYPQKVYSDHCL-OAHLLOKOSA-N -1 0 422.415 2.264 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]c2ccc(Br)c([N+](=O)[O-])c2)c([N+](=O)[O-])n1 ZINC000769635910 1081154411 /nfs/dbraw/zinc/15/44/11/1081154411.db2.gz LRLSEJJHBJTOBK-UHFFFAOYSA-N -1 0 420.201 2.283 20 5 HEBDRM COc1ccccc1OCCNC(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000749107782 939065387 /nfs/dbraw/zinc/06/53/87/939065387.db2.gz VDNHNUPGNUXHMD-LJQANCHMSA-N -1 0 403.391 2.281 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000432131637 939182542 /nfs/dbraw/zinc/18/25/42/939182542.db2.gz VDGAFCAGLMJLCI-BONVTDFDSA-N -1 0 419.356 2.412 20 5 HEBDRM CCO[C@H]1C[C@@](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)(C(=O)[O-])C1(C)C ZINC000439698149 939188060 /nfs/dbraw/zinc/18/80/60/939188060.db2.gz RJSZANZRZKJKNQ-HNAYVOBHSA-N -1 0 402.407 2.169 20 5 HEBDRM O=C([O-])[C@]1(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCc2ccccc21 ZINC000610846281 939808033 /nfs/dbraw/zinc/80/80/33/939808033.db2.gz YYJORKADZPIOAW-IBGZPJMESA-N -1 0 417.805 2.021 20 5 HEBDRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769773776 1078550613 /nfs/dbraw/zinc/55/06/13/1078550613.db2.gz KOLBKCNBFYACKJ-NSHDSACASA-N -1 0 421.859 2.356 20 5 HEBDRM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1=O ZINC000769835582 1078597074 /nfs/dbraw/zinc/59/70/74/1078597074.db2.gz SEWWPUFKHKRVBL-CYBMUJFWSA-N -1 0 419.619 2.376 20 5 HEBDRM CC[C@]1(C)NC(=O)N([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1=O ZINC000769835587 1078597264 /nfs/dbraw/zinc/59/72/64/1078597264.db2.gz SEWWPUFKHKRVBL-ZDUSSCGKSA-N -1 0 419.619 2.376 20 5 HEBDRM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000745730815 1078619058 /nfs/dbraw/zinc/61/90/58/1078619058.db2.gz VQIJYGSXSPPMIV-GFCCVEGCSA-N -1 0 421.431 2.029 20 5 HEBDRM COc1ccc2nc(C(=O)[N-]S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)ccc2c1 ZINC000770109550 1078731880 /nfs/dbraw/zinc/73/18/80/1078731880.db2.gz OWRDGAUAPGGGEF-UHFFFAOYSA-N -1 0 405.363 2.409 20 5 HEBDRM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770129840 1078741845 /nfs/dbraw/zinc/74/18/45/1078741845.db2.gz OQXOKCHOMYOCNV-HZSPNIEDSA-N -1 0 413.496 2.172 20 5 HEBDRM C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000770134223 1078743698 /nfs/dbraw/zinc/74/36/98/1078743698.db2.gz RQBRXWCEMDBWHC-ZDUSSCGKSA-N -1 0 404.448 2.345 20 5 HEBDRM CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc2[N+](=O)[O-])CC1 ZINC000770142233 1078745840 /nfs/dbraw/zinc/74/58/40/1078745840.db2.gz VNUQPRZVKLWPNE-UHFFFAOYSA-N -1 0 408.436 2.079 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccnc1OCC(F)(F)F ZINC000770154752 1078755950 /nfs/dbraw/zinc/75/59/50/1078755950.db2.gz ZSJHGAHPJDJKHB-UHFFFAOYSA-N -1 0 423.300 2.189 20 5 HEBDRM COc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770575307 1078894700 /nfs/dbraw/zinc/89/47/00/1078894700.db2.gz AOQFNJWBUIGIBJ-UHFFFAOYSA-N -1 0 415.221 2.485 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000770618536 1078918496 /nfs/dbraw/zinc/91/84/96/1078918496.db2.gz WUFJYXQYEWFTLA-UHFFFAOYSA-N -1 0 412.390 2.118 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000770772557 1078989624 /nfs/dbraw/zinc/98/96/24/1078989624.db2.gz NIHHEXIIZPEOIM-UHFFFAOYSA-N -1 0 403.731 2.414 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000770771869 1078990025 /nfs/dbraw/zinc/99/00/25/1078990025.db2.gz HGCLJKSONRNQJV-QWHCGFSZSA-N -1 0 422.390 2.114 20 5 HEBDRM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770772848 1078990522 /nfs/dbraw/zinc/99/05/22/1078990522.db2.gz QDLWUPBJMATDHB-HZMBPMFUSA-N -1 0 421.406 2.447 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC(F)F ZINC000770774479 1078991062 /nfs/dbraw/zinc/99/10/62/1078991062.db2.gz DYWWCBSSGBZAOX-UHFFFAOYSA-N -1 0 420.321 2.463 20 5 HEBDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1 ZINC000770748882 1079004243 /nfs/dbraw/zinc/00/42/43/1079004243.db2.gz VXBIQFTYTIDHTK-UHFFFAOYSA-N -1 0 419.209 2.215 20 5 HEBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-n2cc(Br)cn2)nn1 ZINC000770859338 1079042397 /nfs/dbraw/zinc/04/23/97/1079042397.db2.gz YKSIJSHMSLHJMS-UHFFFAOYSA-N -1 0 405.168 2.291 20 5 HEBDRM CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2)n[nH]1 ZINC000770891280 1079065426 /nfs/dbraw/zinc/06/54/26/1079065426.db2.gz FFDABZORLYDLPC-UHFFFAOYSA-N -1 0 419.394 2.200 20 5 HEBDRM CCOc1cc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000766679118 1079250409 /nfs/dbraw/zinc/25/04/09/1079250409.db2.gz UMMKPNPACHRTKV-UHFFFAOYSA-N -1 0 414.358 2.404 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCCc2sccc21 ZINC000771593896 1079389546 /nfs/dbraw/zinc/38/95/46/1079389546.db2.gz QPMYAFGRJJSESN-LLVKDONJSA-N -1 0 411.417 2.490 20 5 HEBDRM CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000766836606 1079420088 /nfs/dbraw/zinc/42/00/88/1079420088.db2.gz AFGJADZKYCQAGF-DOMZBBRYSA-N -1 0 400.453 2.394 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000766908416 1079501642 /nfs/dbraw/zinc/50/16/42/1079501642.db2.gz AJGZIDSJAXXXPE-UHFFFAOYSA-N -1 0 404.448 2.240 20 5 HEBDRM CCCS(=O)(=O)[N-]C(=O)c1cc(OC)c(OCc2cscn2)cc1[N+](=O)[O-] ZINC000739191311 1076041439 /nfs/dbraw/zinc/04/14/39/1076041439.db2.gz HDROLJTVMDOWLQ-UHFFFAOYSA-N -1 0 415.449 2.109 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(OCC(F)(F)F)n1 ZINC000740528248 1076205979 /nfs/dbraw/zinc/20/59/79/1076205979.db2.gz FGNXAKFNNMNEPQ-UHFFFAOYSA-N -1 0 419.337 2.191 20 5 HEBDRM CCCNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000741446614 1076531971 /nfs/dbraw/zinc/53/19/71/1076531971.db2.gz XJBBWBKXTAWEQZ-UHFFFAOYSA-N -1 0 405.432 2.162 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742028547 1076723308 /nfs/dbraw/zinc/72/33/08/1076723308.db2.gz RWRUICZIQCUEAB-UHFFFAOYSA-N -1 0 402.425 2.388 20 5 HEBDRM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000742029274 1076724562 /nfs/dbraw/zinc/72/45/62/1076724562.db2.gz DZVGSIINMKOHEL-JTQLQIEISA-N -1 0 407.360 2.270 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000743441827 1077050953 /nfs/dbraw/zinc/05/09/53/1077050953.db2.gz UVQSQKWWNRTZBV-SECBINFHSA-N -1 0 421.859 2.275 20 5 HEBDRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744075342 1077313355 /nfs/dbraw/zinc/31/33/55/1077313355.db2.gz QNMSYHLLPYDZDL-VIFPVBQESA-N -1 0 414.871 2.282 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc(OC2CCOCC2)cc1 ZINC000744132834 1077326677 /nfs/dbraw/zinc/32/66/77/1077326677.db2.gz SAJLCMFABRGOBR-UHFFFAOYSA-N -1 0 412.445 2.333 20 5 HEBDRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000744240485 1077348006 /nfs/dbraw/zinc/34/80/06/1077348006.db2.gz IRCHCEGLQIELQA-UHFFFAOYSA-N -1 0 416.506 2.437 20 5 HEBDRM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000766306186 1077366852 /nfs/dbraw/zinc/36/68/52/1077366852.db2.gz BMVKGCQFJGGXKW-UHFFFAOYSA-N -1 0 403.775 2.052 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000766322012 1077437121 /nfs/dbraw/zinc/43/71/21/1077437121.db2.gz YQZLDYWOXXKOQL-UHFFFAOYSA-N -1 0 407.404 2.362 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000766903213 1079515064 /nfs/dbraw/zinc/51/50/64/1079515064.db2.gz VUDUDZGAJKOFHS-UHFFFAOYSA-N -1 0 404.429 2.373 20 5 HEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000767566387 1079976202 /nfs/dbraw/zinc/97/62/02/1079976202.db2.gz HCIUPOOMJVSOFI-UHFFFAOYSA-N -1 0 412.807 2.447 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1-c1ccccc1 ZINC000772649736 1080012050 /nfs/dbraw/zinc/01/20/50/1080012050.db2.gz IPCCGFJWYRCOTD-UHFFFAOYSA-N -1 0 400.416 2.422 20 5 HEBDRM NC(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000742233173 1080092840 /nfs/dbraw/zinc/09/28/40/1080092840.db2.gz VJFVFEATSJNTGM-UHFFFAOYSA-N -1 0 400.210 2.257 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000785701235 1080172452 /nfs/dbraw/zinc/17/24/52/1080172452.db2.gz BJEFHLNPVQMMFK-PSASIEDQSA-N -1 0 407.242 2.089 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000785702542 1080212678 /nfs/dbraw/zinc/21/26/78/1080212678.db2.gz PODYPFMXMNVXKU-WPRPVWTQSA-N -1 0 407.242 2.089 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000785703640 1080213580 /nfs/dbraw/zinc/21/35/80/1080213580.db2.gz XQFXABIIJFKAIZ-PSASIEDQSA-N -1 0 407.242 2.089 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)S(=O)(=O)CC3)cc([N+](=O)[O-])c1F ZINC000768286075 1080458533 /nfs/dbraw/zinc/45/85/33/1080458533.db2.gz VHGRTOMCEMECFO-UHFFFAOYSA-N -1 0 400.409 2.173 20 5 HEBDRM O=C([N-]S(=O)(=O)N1CCCC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786343660 1080552536 /nfs/dbraw/zinc/55/25/36/1080552536.db2.gz RURRNLOBIOYDHD-UHFFFAOYSA-N -1 0 405.432 2.244 20 5 HEBDRM C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000786444035 1080605451 /nfs/dbraw/zinc/60/54/51/1080605451.db2.gz GUHAKTRDONDFOU-VXGBXAGGSA-N -1 0 413.452 2.045 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cnccn1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786453131 1080636551 /nfs/dbraw/zinc/63/65/51/1080636551.db2.gz DDWSLGPSNSMRRI-UHFFFAOYSA-N -1 0 414.399 2.083 20 5 HEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000786649859 1080733660 /nfs/dbraw/zinc/73/36/60/1080733660.db2.gz ACHKUYOTTPFUIQ-UHFFFAOYSA-N -1 0 419.459 2.113 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2cccs2)ccc1[N+](=O)[O-] ZINC000768807324 1080784390 /nfs/dbraw/zinc/78/43/90/1080784390.db2.gz LTWOXFPUZNQDAA-UHFFFAOYSA-N -1 0 422.444 2.184 20 5 HEBDRM O=C(/C=C\c1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768784802 1080796978 /nfs/dbraw/zinc/79/69/78/1080796978.db2.gz OXEZKOMVCJQYNQ-XQRVVYSFSA-N -1 0 401.194 2.469 20 5 HEBDRM Cn1cc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786765 1080798243 /nfs/dbraw/zinc/79/82/43/1080798243.db2.gz SZQMVIFWUAOHAU-UHFFFAOYSA-N -1 0 422.644 2.468 20 5 HEBDRM O=C(/C=C/C1CCOCC1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786706 1080798262 /nfs/dbraw/zinc/79/82/62/1080798262.db2.gz RRSDITHFKPITKB-DAFODLJHSA-N -1 0 419.253 2.145 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(N4CCOCC4)oc3c2)cs1 ZINC000768861755 1080842912 /nfs/dbraw/zinc/84/29/12/1080842912.db2.gz IUOWOKAXLDSDJQ-UHFFFAOYSA-N -1 0 410.433 2.435 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)c1cc(C)cc([N+](=O)[O-])c1 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415.424 2.293 20 5 HEBDRM C[C@@H](Cc1ccccc1F)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000739174474 1076040420 /nfs/dbraw/zinc/04/04/20/1076040420.db2.gz YNMWEHVSJNMRLN-JTQLQIEISA-N -1 0 411.367 2.326 20 5 HEBDRM COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000739385309 1076056956 /nfs/dbraw/zinc/05/69/56/1076056956.db2.gz SDGVHPPIRDQVSQ-UHFFFAOYSA-N -1 0 416.209 2.340 20 5 HEBDRM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000740525880 1076205885 /nfs/dbraw/zinc/20/58/85/1076205885.db2.gz ZPJHRWLDFBVYCZ-UHFFFAOYSA-N -1 0 408.432 2.395 20 5 HEBDRM COc1ccccc1-c1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000741107456 1076360990 /nfs/dbraw/zinc/36/09/90/1076360990.db2.gz GQZXMZYHHDKICU-UHFFFAOYSA-N -1 0 416.415 2.123 20 5 HEBDRM O=C(C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])NCc1ccccc1 ZINC000742277548 1076808988 /nfs/dbraw/zinc/80/89/88/1076808988.db2.gz ZFLYIFFXXXOKGD-UHFFFAOYSA-N -1 0 418.258 2.496 20 5 HEBDRM O=C([O-])COc1ccc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000742349031 1076832613 /nfs/dbraw/zinc/83/26/13/1076832613.db2.gz HSHBORPYDWOQIW-RIYZIHGNSA-N -1 0 413.411 2.316 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc([N+](=O)[O-])c1 ZINC000743266721 1077018606 /nfs/dbraw/zinc/01/86/06/1077018606.db2.gz QGPPGPNNTCTZKE-UHFFFAOYSA-N -1 0 421.387 2.139 20 5 HEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)c([N+](=O)[O-])c1 ZINC000743729483 1077097866 /nfs/dbraw/zinc/09/78/66/1077097866.db2.gz JJZPABCPQYNEDF-UHFFFAOYSA-N -1 0 408.327 2.024 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000744013294 1077305463 /nfs/dbraw/zinc/30/54/63/1077305463.db2.gz XCXGXMCKGHZNRH-AAEUAGOBSA-N -1 0 412.370 2.490 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(NC(=O)C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000744153209 1077332873 /nfs/dbraw/zinc/33/28/73/1077332873.db2.gz WWASDWNNIKOIKV-UHFFFAOYSA-N -1 0 417.443 2.299 20 5 HEBDRM Cc1c(C)c(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])[nH]2)ccc1Br ZINC000744235813 1077347126 /nfs/dbraw/zinc/34/71/26/1077347126.db2.gz XLLUBUDKUHYGDE-UHFFFAOYSA-N -1 0 402.226 2.421 20 5 HEBDRM Cc1c(C)c(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])cn2C)ccc1Br ZINC000744235777 1077347188 /nfs/dbraw/zinc/34/71/88/1077347188.db2.gz VSDHIZNMYXWYAF-UHFFFAOYSA-N -1 0 416.253 2.431 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000744292786 1077358274 /nfs/dbraw/zinc/35/82/74/1077358274.db2.gz RBRJCLWREUVSQN-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM CC(=O)c1cccc(O[C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000745312665 1077806016 /nfs/dbraw/zinc/80/60/16/1077806016.db2.gz BFDRQJAYIUXVBF-ZDUSSCGKSA-N -1 0 406.416 2.378 20 5 HEBDRM COCCCCS(=O)(=O)[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000766966469 1079562020 /nfs/dbraw/zinc/56/20/20/1079562020.db2.gz GLKPISHBPDGKKU-UHFFFAOYSA-N -1 0 414.358 2.022 20 5 HEBDRM CC(C)NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000767466378 1079869196 /nfs/dbraw/zinc/86/91/96/1079869196.db2.gz BOZKVYYJXYYKFD-UHFFFAOYSA-N -1 0 419.459 2.035 20 5 HEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000767570694 1079981833 /nfs/dbraw/zinc/98/18/33/1079981833.db2.gz UTVMXTZVKSVWLH-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000785554324 1080055294 /nfs/dbraw/zinc/05/52/94/1080055294.db2.gz QGDUPLRADGJBQT-UHFFFAOYSA-N -1 0 423.831 2.144 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000785703641 1080213484 /nfs/dbraw/zinc/21/34/84/1080213484.db2.gz XQFXABIIJFKAIZ-SCZZXKLOSA-N -1 0 407.242 2.089 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000785966709 1080324604 /nfs/dbraw/zinc/32/46/04/1080324604.db2.gz CCLZIYKOEGXMIJ-UHFFFAOYSA-N -1 0 406.464 2.227 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2ccccc2CN2C(=O)CCC2=O)cc([N+](=O)[O-])c1F ZINC000768273601 1080454440 /nfs/dbraw/zinc/45/44/40/1080454440.db2.gz MCGMWMJWISAAKK-UHFFFAOYSA-N -1 0 421.406 2.492 20 5 HEBDRM CCOC(=O)C(C)(C)n1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000768286042 1080458453 /nfs/dbraw/zinc/45/84/53/1080458453.db2.gz UETHBHSNXDNLIX-UHFFFAOYSA-N -1 0 414.415 2.338 20 5 HEBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@H](O)C1 ZINC000768524112 1080609830 /nfs/dbraw/zinc/60/98/30/1080609830.db2.gz FYJBRRPFPGUJLE-MLGOLLRUSA-N -1 0 407.448 2.221 20 5 HEBDRM O=c1[n-]c([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000786563081 1080689163 /nfs/dbraw/zinc/68/91/63/1080689163.db2.gz XWJMYGOWLUTSSV-MRVPVSSYSA-N -1 0 421.357 2.096 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1CCCN1Cc1ccccc1 ZINC000768779448 1080793345 /nfs/dbraw/zinc/79/33/45/1080793345.db2.gz DCAWFJMVWIWARR-QGZVFWFLSA-N -1 0 407.423 2.203 20 5 HEBDRM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768783609 1080796340 /nfs/dbraw/zinc/79/63/40/1080796340.db2.gz GHNTVJJYWBNCKN-UHFFFAOYSA-N -1 0 404.198 2.081 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c(C)n1C ZINC000768783980 1080796450 /nfs/dbraw/zinc/79/64/50/1080796450.db2.gz JKBOWIDIDHHACZ-UHFFFAOYSA-N -1 0 416.253 2.431 20 5 HEBDRM CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[nH]n1 ZINC000768784322 1080796471 /nfs/dbraw/zinc/79/64/71/1080796471.db2.gz KFJPHHCUQBXPFT-UHFFFAOYSA-N -1 0 417.241 2.323 20 5 HEBDRM CC(C)CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785293 1080796893 /nfs/dbraw/zinc/79/68/93/1080796893.db2.gz FRTZNZFEFRBVIX-SECBINFHSA-N -1 0 409.258 2.223 20 5 HEBDRM CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)sc2c1 ZINC000768847968 1080823060 /nfs/dbraw/zinc/82/30/60/1080823060.db2.gz IZUOZBGBHPGNLD-UHFFFAOYSA-N -1 0 419.487 2.470 20 5 HEBDRM O=C(c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCC[C@H](O)C1 ZINC000768884008 1080831650 /nfs/dbraw/zinc/83/16/50/1080831650.db2.gz PKDVUCUHDLUSAF-ZDUSSCGKSA-N -1 0 411.461 2.054 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(-n3nnnc3C3CC3)c2)cs1 ZINC000768890777 1080835671 /nfs/dbraw/zinc/83/56/71/1080835671.db2.gz XUUWOCUUCSVULF-UHFFFAOYSA-N -1 0 410.412 2.449 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncccc2I)cs1 ZINC000768862542 1080842947 /nfs/dbraw/zinc/84/29/47/1080842947.db2.gz LWLNMFLXIQVSMB-UHFFFAOYSA-N -1 0 411.202 2.457 20 5 HEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000787001522 1080914067 /nfs/dbraw/zinc/91/40/67/1080914067.db2.gz WPNGPHWCOMOFDE-WDZFZDKYSA-N -1 0 415.427 2.388 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000787006473 1080921269 /nfs/dbraw/zinc/92/12/69/1080921269.db2.gz FGFJQSHVVATHCY-UHFFFAOYSA-N -1 0 412.395 2.186 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000787005897 1080922279 /nfs/dbraw/zinc/92/22/79/1080922279.db2.gz XEQAIMZUKCFJDK-UHFFFAOYSA-N -1 0 415.830 2.470 20 5 HEBDRM CCCCOc1cc(OC)ccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1 ZINC000769305311 1081037822 /nfs/dbraw/zinc/03/78/22/1081037822.db2.gz DVGSZUXTVLPNAG-UHFFFAOYSA-N -1 0 409.420 2.296 20 5 HEBDRM COc1cc(CCNC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000780358586 939109218 /nfs/dbraw/zinc/10/92/18/939109218.db2.gz MXLOZAPOHLDHOW-QGZVFWFLSA-N -1 0 403.391 2.280 20 5 HEBDRM C[C@@](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC000564520143 939344786 /nfs/dbraw/zinc/34/47/86/939344786.db2.gz UNDIIOUNGPMTJG-ZDUSSCGKSA-N -1 0 404.160 2.183 20 5 HEBDRM COc1ccc(CSCC(=O)NC2(C(=O)[O-])CCSCC2)cc1[N+](=O)[O-] ZINC000565153146 939346978 /nfs/dbraw/zinc/34/69/78/939346978.db2.gz JXKLOOFNXWPOEG-UHFFFAOYSA-N -1 0 400.478 2.303 20 5 HEBDRM C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)N(C)C ZINC000745730673 1078619077 /nfs/dbraw/zinc/61/90/77/1078619077.db2.gz QDYRPQSRFLFVQE-LBPRGKRZSA-N -1 0 421.431 2.029 20 5 HEBDRM COc1cc(OC)c(C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000746176915 1078810997 /nfs/dbraw/zinc/81/09/97/1078810997.db2.gz JLLDCTAGKPFUGT-UHFFFAOYSA-N -1 0 400.384 2.238 20 5 HEBDRM Cc1cc(=O)c(C(=O)N2CCc3cc(C(=O)[O-])ccc32)nn1-c1ccccc1[N+](=O)[O-] ZINC000746357602 1078873511 /nfs/dbraw/zinc/87/35/11/1078873511.db2.gz URMVVEXRZTZLDW-UHFFFAOYSA-N -1 0 420.381 2.350 20 5 HEBDRM CCOCCC1(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)CCC1 ZINC000770575469 1078895185 /nfs/dbraw/zinc/89/51/85/1078895185.db2.gz FIDKLLOSSHJQTA-UHFFFAOYSA-N -1 0 405.860 2.232 20 5 HEBDRM COc1ccc(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1F ZINC000770772048 1078989727 /nfs/dbraw/zinc/98/97/27/1078989727.db2.gz JKDHNGKJMHYSQJ-UHFFFAOYSA-N -1 0 400.359 2.319 20 5 HEBDRM C[C@H](NC(=O)CC1CCCCC1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770773535 1078990771 /nfs/dbraw/zinc/99/07/71/1078990771.db2.gz SUTICIHEYKYYPG-NSHDSACASA-N -1 0 415.443 2.014 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000770774159 1078991524 /nfs/dbraw/zinc/99/15/24/1078991524.db2.gz BESDSYJAKAHOHI-HNNXBMFYSA-N -1 0 424.406 2.410 20 5 HEBDRM Cc1ccccc1-n1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cn1 ZINC000770774164 1078991740 /nfs/dbraw/zinc/99/17/40/1078991740.db2.gz WQFSBYLYWIWCRV-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM O=C(CCC1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749812 1079005038 /nfs/dbraw/zinc/00/50/38/1079005038.db2.gz YIVGXLKYMUPGNJ-UHFFFAOYSA-N -1 0 421.269 2.369 20 5 HEBDRM COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC1 ZINC000770750075 1079005153 /nfs/dbraw/zinc/00/51/53/1079005153.db2.gz UJCWUGKEIKUYBZ-UHFFFAOYSA-N -1 0 421.269 2.369 20 5 HEBDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 ZINC000746467657 1079026643 /nfs/dbraw/zinc/02/66/43/1079026643.db2.gz LZQSFKPEYZVXHN-UHFFFAOYSA-N -1 0 410.429 2.222 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2nc(C(F)(F)F)cn2c1 ZINC000770819300 1079031500 /nfs/dbraw/zinc/03/15/00/1079031500.db2.gz RGZGFFTWYSUSTM-UHFFFAOYSA-N -1 0 414.321 2.380 20 5 HEBDRM COCCOc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c(Cl)c1 ZINC000770864968 1079045699 /nfs/dbraw/zinc/04/56/99/1079045699.db2.gz LEMKRLDUJJVOEG-UHFFFAOYSA-N -1 0 420.852 2.454 20 5 HEBDRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000766675054 1079264027 /nfs/dbraw/zinc/26/40/27/1079264027.db2.gz IHGOSWCJRFDYPW-UHFFFAOYSA-N -1 0 412.342 2.174 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000766872315 1079468430 /nfs/dbraw/zinc/46/84/30/1079468430.db2.gz IJJKBJDYXPFMPE-VHSXEESVSA-N -1 0 401.322 2.016 20 5 HEBDRM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741750079 1076618738 /nfs/dbraw/zinc/61/87/38/1076618738.db2.gz CBIFKUMBFYBKDZ-UHFFFAOYSA-N -1 0 418.225 2.010 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(OCC(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000742028918 1076724063 /nfs/dbraw/zinc/72/40/63/1076724063.db2.gz NONIVUAPWQOIRZ-UHFFFAOYSA-N -1 0 411.411 2.310 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)cc1[N+](=O)[O-] ZINC000742029613 1076724680 /nfs/dbraw/zinc/72/46/80/1076724680.db2.gz KOPDLILCERPLJM-UHFFFAOYSA-N -1 0 419.394 2.128 20 5 HEBDRM COC(=O)c1ccc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c([N+](=O)[O-])c1 ZINC000742030439 1076725871 /nfs/dbraw/zinc/72/58/71/1076725871.db2.gz ZYEWTMBKZYCGSH-LBPRGKRZSA-N -1 0 420.399 2.149 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc([N+](=O)[O-])c1 ZINC000743266489 1077019062 /nfs/dbraw/zinc/01/90/62/1077019062.db2.gz OUNUAYZRHGQKCD-UHFFFAOYSA-N -1 0 411.348 2.099 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCOC3=O)c2)c([N+](=O)[O-])c1 ZINC000743268745 1077020247 /nfs/dbraw/zinc/02/02/47/1077020247.db2.gz ITLJFFFATFJFTR-UHFFFAOYSA-N -1 0 423.403 2.369 20 5 HEBDRM CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 ZINC000744012406 1077304869 /nfs/dbraw/zinc/30/48/69/1077304869.db2.gz OGWZXVIFDXAMTJ-UHFFFAOYSA-N -1 0 411.823 2.035 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1cc(N2CCCC2=O)ccc1F ZINC000744132332 1077326948 /nfs/dbraw/zinc/32/69/48/1077326948.db2.gz MEMUNHQKGJQXOI-UHFFFAOYSA-N -1 0 413.408 2.041 20 5 HEBDRM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)[N-]S(=O)(=O)CCSc1ccccc1 ZINC000744301432 1077365588 /nfs/dbraw/zinc/36/55/88/1077365588.db2.gz WYOQNVRHCMSQKG-UHFFFAOYSA-N -1 0 420.472 2.183 20 5 HEBDRM COc1ccc(OCCOC(=O)c2ccccc2[N-]S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000744550920 1077463928 /nfs/dbraw/zinc/46/39/28/1077463928.db2.gz PRYLYPOVRRWYCO-UHFFFAOYSA-N -1 0 410.404 2.211 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000744929984 1077657439 /nfs/dbraw/zinc/65/74/39/1077657439.db2.gz TTYBBXSUQWBQNZ-SECBINFHSA-N -1 0 416.358 2.154 20 5 HEBDRM CC(=O)CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000745313754 1077806431 /nfs/dbraw/zinc/80/64/31/1077806431.db2.gz VUJHGPKJQWTGMX-UHFFFAOYSA-N -1 0 424.406 2.139 20 5 HEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000767529721 1079921911 /nfs/dbraw/zinc/92/19/11/1079921911.db2.gz MZYIQTCONFKWRI-UHFFFAOYSA-N -1 0 416.843 2.005 20 5 HEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000767566308 1079975533 /nfs/dbraw/zinc/97/55/33/1079975533.db2.gz CGQJEXZZYNHYNK-UHFFFAOYSA-N -1 0 408.823 2.411 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000772632215 1079990989 /nfs/dbraw/zinc/99/09/89/1079990989.db2.gz IFAXEYVVRTVWPL-UHFFFAOYSA-N -1 0 400.416 2.255 20 5 HEBDRM CC[C@@H](C)NC(=O)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798164311 1080129182 /nfs/dbraw/zinc/12/91/82/1080129182.db2.gz DWEBUMKINWLVII-SNVBAGLBSA-N -1 0 409.830 2.174 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000785703645 1080213494 /nfs/dbraw/zinc/21/34/94/1080213494.db2.gz XQFXABIIJFKAIZ-WPRPVWTQSA-N -1 0 407.242 2.089 20 5 HEBDRM CC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000785891373 1080297301 /nfs/dbraw/zinc/29/73/01/1080297301.db2.gz DEDKTIIXKAZKJP-UHFFFAOYSA-N -1 0 405.432 2.164 20 5 HEBDRM COC(=O)c1cncc([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])c1 ZINC000768326944 1080488164 /nfs/dbraw/zinc/48/81/64/1080488164.db2.gz KAFKQIHETVRSAZ-UHFFFAOYSA-N -1 0 416.209 2.340 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc(C)c1F ZINC000786502505 1080660988 /nfs/dbraw/zinc/66/09/88/1080660988.db2.gz QWILCJNDCUKGSU-UHFFFAOYSA-N -1 0 406.395 2.206 20 5 HEBDRM O=c1[n-]nc([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786549771 1080679723 /nfs/dbraw/zinc/67/97/23/1080679723.db2.gz BBNSFIAEJCXFKH-MRVPVSSYSA-N -1 0 422.341 2.361 20 5 HEBDRM O=c1[n-]nc([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786549778 1080679793 /nfs/dbraw/zinc/67/97/93/1080679793.db2.gz BBNSFIAEJCXFKH-QMMMGPOBSA-N -1 0 422.341 2.361 20 5 HEBDRM O=c1[n-]c([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])C2)n[nH]1 ZINC000786563084 1080689347 /nfs/dbraw/zinc/68/93/47/1080689347.db2.gz XWJMYGOWLUTSSV-QMMMGPOBSA-N -1 0 421.357 2.096 20 5 HEBDRM NC(=O)c1sccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000746598072 1080739368 /nfs/dbraw/zinc/73/93/68/1080739368.db2.gz DVWVCRJUVSNZHF-UHFFFAOYSA-N -1 0 406.239 2.319 20 5 HEBDRM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000746598068 1080739457 /nfs/dbraw/zinc/73/94/57/1080739457.db2.gz DQWGAGSWCAZGCP-UHFFFAOYSA-N -1 0 402.425 2.122 20 5 HEBDRM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000746598498 1080760090 /nfs/dbraw/zinc/76/00/90/1080760090.db2.gz GJWCLZJJADOYOD-UHFFFAOYSA-N -1 0 402.425 2.122 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1cncc(F)c1 ZINC000768784369 1080796017 /nfs/dbraw/zinc/79/60/17/1080796017.db2.gz KWQKBNVLLDGDNI-UHFFFAOYSA-N -1 0 404.173 2.010 20 5 HEBDRM COCc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)o1 ZINC000768783022 1080796057 /nfs/dbraw/zinc/79/60/57/1080796057.db2.gz CPKCTPTXVUQMJV-UHFFFAOYSA-N -1 0 419.209 2.215 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786776061 1080817186 /nfs/dbraw/zinc/81/71/86/1080817186.db2.gz FTKOSOHAPUCPSV-SKDRFNHKSA-N -1 0 405.329 2.168 20 5 HEBDRM O=C(COc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCCC1 ZINC000768865626 1080823606 /nfs/dbraw/zinc/82/36/06/1080823606.db2.gz KCYGHSFLEOOHSY-UHFFFAOYSA-N -1 0 411.461 2.458 20 5 HEBDRM C[C@H](C(=O)Nc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)n1cncn1 ZINC000768867200 1080824330 /nfs/dbraw/zinc/82/43/30/1080824330.db2.gz YBMKLCIHGWWKDL-SNVBAGLBSA-N -1 0 422.448 2.248 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c(C(C)(C)C)n1 ZINC000768962679 1080884535 /nfs/dbraw/zinc/88/45/35/1080884535.db2.gz HXPUEERHUYHQIK-UHFFFAOYSA-N -1 0 400.844 2.398 20 5 HEBDRM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769516144 1081104877 /nfs/dbraw/zinc/10/48/77/1081104877.db2.gz SKNCGTNVOUNQOU-MRXNPFEDSA-N -1 0 420.399 2.052 20 5 HEBDRM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000769614066 1081172551 /nfs/dbraw/zinc/17/25/51/1081172551.db2.gz RNECTRVQEOQXFV-UHFFFAOYSA-N -1 0 409.345 2.498 20 5 HEBDRM O=C([O-])c1nn(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(=O)c2ccccc21 ZINC000005781848 568718601 /nfs/dbraw/zinc/71/86/01/568718601.db2.gz YAQSGVVYPWJIOA-UHFFFAOYSA-N -1 0 402.750 2.295 20 5 HEBDRM Cn1cnnc1Sc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000426711609 939144624 /nfs/dbraw/zinc/14/46/24/939144624.db2.gz PQQHSOSBBUYNJA-HNNXBMFYSA-N -1 0 413.415 2.430 20 5 HEBDRM CC[C@](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000485374994 939228216 /nfs/dbraw/zinc/22/82/16/939228216.db2.gz MSDOFXIOYUOVFV-LJQANCHMSA-N -1 0 419.821 2.484 20 5 HEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000611464198 939809032 /nfs/dbraw/zinc/80/90/32/939809032.db2.gz CLCMVCNNUWNMAI-BMIGLBTASA-N -1 0 405.794 2.309 20 5 HEBDRM CC(=O)OC1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2[O-])CC1 ZINC001137550263 1078531832 /nfs/dbraw/zinc/53/18/32/1078531832.db2.gz FVAOXXZFHSHBLP-UHFFFAOYSA-N -1 0 408.798 2.307 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccnc1OCC(F)F ZINC000770107658 1078712527 /nfs/dbraw/zinc/71/25/27/1078712527.db2.gz DGUUEYPOFQYLCO-UHFFFAOYSA-N -1 0 401.347 2.061 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC1(Cl)Cl ZINC000770727614 1078954336 /nfs/dbraw/zinc/95/43/36/1078954336.db2.gz BICLRCZXEPLYBE-LURJTMIESA-N -1 0 418.052 2.356 20 5 HEBDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000770764828 1078984727 /nfs/dbraw/zinc/98/47/27/1078984727.db2.gz CMVIACGEZGQOGJ-UHFFFAOYSA-N -1 0 413.339 2.160 20 5 HEBDRM COc1ccc2[nH]cc(CC(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2c1 ZINC000770771389 1078988863 /nfs/dbraw/zinc/98/88/63/1078988863.db2.gz FISOCJVTBNNARI-UHFFFAOYSA-N -1 0 407.379 2.271 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cnn(-c2ccccc2F)c1 ZINC000770772468 1078989597 /nfs/dbraw/zinc/98/95/97/1078989597.db2.gz MTUMUJMJGWAJTO-UHFFFAOYSA-N -1 0 408.342 2.177 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccn1Cc1ccncc1 ZINC000770771858 1078990121 /nfs/dbraw/zinc/99/01/21/1078990121.db2.gz HCLAMCIAQQHXGK-UHFFFAOYSA-N -1 0 404.379 2.097 20 5 HEBDRM O=C(CC[C@H]1Cc2ccccc2NC1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770773588 1078991678 /nfs/dbraw/zinc/99/16/78/1078991678.db2.gz RDPZWRCNUGUCTG-LBPRGKRZSA-N -1 0 421.406 2.130 20 5 HEBDRM COc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1OC ZINC000770774158 1078991722 /nfs/dbraw/zinc/99/17/22/1078991722.db2.gz WNJVAFJGUIKEIQ-XBXARRHUSA-N -1 0 410.379 2.269 20 5 HEBDRM CC(C)NC(=O)Nc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770777262 1079008458 /nfs/dbraw/zinc/00/84/58/1079008458.db2.gz ZBKXURJHONWIMT-UHFFFAOYSA-N -1 0 424.410 2.383 20 5 HEBDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770746067 1079002543 /nfs/dbraw/zinc/00/25/43/1079002543.db2.gz JQSCQKAXSQXUIT-VIFPVBQESA-N -1 0 407.242 2.121 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc(C2CC2)n[nH]1 ZINC000770748552 1079003231 /nfs/dbraw/zinc/00/32/31/1079003231.db2.gz QQHDYQMZKCRKKD-UHFFFAOYSA-N -1 0 415.225 2.077 20 5 HEBDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770776838 1079008829 /nfs/dbraw/zinc/00/88/29/1079008829.db2.gz UNCIUCYFABEDIZ-MRVPVSSYSA-N -1 0 404.322 2.285 20 5 HEBDRM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000746477018 1079030737 /nfs/dbraw/zinc/03/07/37/1079030737.db2.gz BWGGGVPXQIBQFY-UHFFFAOYSA-N -1 0 404.356 2.246 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000770865777 1079046143 /nfs/dbraw/zinc/04/61/43/1079046143.db2.gz PMTHVUDPEYRKAJ-UHFFFAOYSA-N -1 0 420.350 2.442 20 5 HEBDRM CC[C@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000766836609 1079420461 /nfs/dbraw/zinc/42/04/61/1079420461.db2.gz AFGJADZKYCQAGF-WFASDCNBSA-N -1 0 400.453 2.394 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])nc1Cl ZINC000766852394 1079438188 /nfs/dbraw/zinc/43/81/88/1079438188.db2.gz LNRFMKGXDQWAMW-UHFFFAOYSA-N -1 0 406.203 2.424 20 5 HEBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000771754041 1079484388 /nfs/dbraw/zinc/48/43/88/1079484388.db2.gz XZSSIHXCQBZQJV-MRXNPFEDSA-N -1 0 412.395 2.244 20 5 HEBDRM COc1ccc(COCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000737339095 1075958599 /nfs/dbraw/zinc/95/85/99/1075958599.db2.gz INKFIFHSWQLSSW-UHFFFAOYSA-N -1 0 408.432 2.324 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1csc(Nc2ccccn2)n1 ZINC000737341717 1075968220 /nfs/dbraw/zinc/96/82/20/1075968220.db2.gz KFHKKPPCXOXEMP-UHFFFAOYSA-N -1 0 411.446 2.370 20 5 HEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)c([N+](=O)[O-])c1 ZINC000739675159 1076071440 /nfs/dbraw/zinc/07/14/40/1076071440.db2.gz XSHIFMZQZCEFEZ-CQSZACIVSA-N -1 0 409.376 2.472 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(OCC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000740559465 1076193666 /nfs/dbraw/zinc/19/36/66/1076193666.db2.gz VMQWMNZZDBRXRG-UHFFFAOYSA-N -1 0 419.337 2.358 20 5 HEBDRM CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC000741107986 1076361221 /nfs/dbraw/zinc/36/12/21/1076361221.db2.gz PWNRVDXTDPIJCA-UHFFFAOYSA-N -1 0 401.832 2.005 20 5 HEBDRM CC(C)(C)OC(=O)CSCC(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000741437863 1076528373 /nfs/dbraw/zinc/52/83/73/1076528373.db2.gz KJAMUVRYCXUKFT-UHFFFAOYSA-N -1 0 424.884 2.128 20 5 HEBDRM Cc1onc(-c2ccccn2)c1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000766277531 1076644852 /nfs/dbraw/zinc/64/48/52/1076644852.db2.gz MVDMUQKPAOXBBB-UHFFFAOYSA-N -1 0 406.351 2.211 20 5 HEBDRM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000742031905 1076726990 /nfs/dbraw/zinc/72/69/90/1076726990.db2.gz HSXBUBNIDPLJIS-UHFFFAOYSA-N -1 0 403.413 2.215 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1N1CCOC1=O ZINC000743266767 1077018567 /nfs/dbraw/zinc/01/85/67/1077018567.db2.gz SFMKQRCIDBRYQC-UHFFFAOYSA-N -1 0 423.403 2.369 20 5 HEBDRM CC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000743441123 1077054845 /nfs/dbraw/zinc/05/48/45/1077054845.db2.gz GWTJLKDMXGSIPE-UHFFFAOYSA-N -1 0 414.399 2.102 20 5 HEBDRM CCOC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000743440535 1077054945 /nfs/dbraw/zinc/05/49/45/1077054945.db2.gz BONXGNXUGCCNTO-UHFFFAOYSA-N -1 0 421.431 2.268 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)c(C)c2)cc([N+](=O)[O-])c1C ZINC000744008197 1077302763 /nfs/dbraw/zinc/30/27/63/1077302763.db2.gz ZEHZQOMUPOWPEU-UHFFFAOYSA-N -1 0 415.431 2.219 20 5 HEBDRM CSc1nc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccn21 ZINC000744008747 1077302766 /nfs/dbraw/zinc/30/27/66/1077302766.db2.gz APJWQZWZKZNOKV-UHFFFAOYSA-N -1 0 406.445 2.224 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000744011805 1077303929 /nfs/dbraw/zinc/30/39/29/1077303929.db2.gz GTABJHUUNKFNEX-UHFFFAOYSA-N -1 0 424.431 2.137 20 5 HEBDRM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000744011536 1077304284 /nfs/dbraw/zinc/30/42/84/1077304284.db2.gz ZMDAALXHOSWJKB-UHFFFAOYSA-N -1 0 406.342 2.083 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000744012686 1077304572 /nfs/dbraw/zinc/30/45/72/1077304572.db2.gz PHFPWEYONVBOAQ-UHFFFAOYSA-N -1 0 405.860 2.056 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744041395 1077312060 /nfs/dbraw/zinc/31/20/60/1077312060.db2.gz TYHJFODAWODNOV-HUUCEWRRSA-N -1 0 418.427 2.283 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000744041393 1077312130 /nfs/dbraw/zinc/31/21/30/1077312130.db2.gz TYHJFODAWODNOV-CABCVRRESA-N -1 0 418.427 2.283 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cnc2ccsc2c1 ZINC000744083555 1077315673 /nfs/dbraw/zinc/31/56/73/1077315673.db2.gz AFUTZKYBWZYORR-UHFFFAOYSA-N -1 0 408.373 2.231 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000766324360 1077749381 /nfs/dbraw/zinc/74/93/81/1077749381.db2.gz ZYUXYZXFQTXUFZ-UHFFFAOYSA-N -1 0 409.376 2.274 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000767431725 1079860512 /nfs/dbraw/zinc/86/05/12/1079860512.db2.gz AGNVCJWDFZGAEV-UHFFFAOYSA-N -1 0 410.379 2.211 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000785701236 1080172482 /nfs/dbraw/zinc/17/24/82/1080172482.db2.gz BJEFHLNPVQMMFK-SCZZXKLOSA-N -1 0 407.242 2.089 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@H]1C(=O)[O-] ZINC000785702540 1080212670 /nfs/dbraw/zinc/21/26/70/1080212670.db2.gz PODYPFMXMNVXKU-WCBMZHEXSA-N -1 0 407.242 2.089 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)/C=C/c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000772669949 1080214367 /nfs/dbraw/zinc/21/43/67/1080214367.db2.gz NAXPUTCGXAFDNO-DUXPYHPUSA-N -1 0 417.230 2.397 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)/C=C\c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000772669950 1080214379 /nfs/dbraw/zinc/21/43/79/1080214379.db2.gz NAXPUTCGXAFDNO-RQOWECAXSA-N -1 0 417.230 2.397 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000772674568 1080363712 /nfs/dbraw/zinc/36/37/12/1080363712.db2.gz SRLFEARBNWWQLY-UHFFFAOYSA-N -1 0 414.443 2.298 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1COC1CCOCC1 ZINC000768165322 1080380448 /nfs/dbraw/zinc/38/04/48/1080380448.db2.gz ROEZDIRVVMUHQO-UHFFFAOYSA-N -1 0 420.443 2.409 20 5 HEBDRM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1[O-])CC2 ZINC000768387934 1080537542 /nfs/dbraw/zinc/53/75/42/1080537542.db2.gz YBZJINQBAUAGMZ-UHFFFAOYSA-N -1 0 405.432 2.062 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000786331127 1080564973 /nfs/dbraw/zinc/56/49/73/1080564973.db2.gz YDUGSDMYENUHFJ-UHFFFAOYSA-N -1 0 417.443 2.078 20 5 HEBDRM COCCn1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1 ZINC000768499751 1080594834 /nfs/dbraw/zinc/59/48/34/1080594834.db2.gz SGXJBEOGKDCFJL-UHFFFAOYSA-N -1 0 405.230 2.001 20 5 HEBDRM C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000786444028 1080605402 /nfs/dbraw/zinc/60/54/02/1080605402.db2.gz GUHAKTRDONDFOU-NEPJUHHUSA-N -1 0 413.452 2.045 20 5 HEBDRM C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C ZINC000786458261 1080639481 /nfs/dbraw/zinc/63/94/81/1080639481.db2.gz XVFTYPNFPKHCTN-MWLCHTKSSA-N -1 0 419.481 2.107 20 5 HEBDRM O=C(C[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785748 1080797786 /nfs/dbraw/zinc/79/77/86/1080797786.db2.gz KGQJUMNZQRXOJK-JTQLQIEISA-N -1 0 407.242 2.121 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000786765435 1080807098 /nfs/dbraw/zinc/80/70/98/1080807098.db2.gz JNLUSTQEEVHKIQ-LBPRGKRZSA-N -1 0 406.313 2.208 20 5 HEBDRM COCCNC(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000768869896 1080825765 /nfs/dbraw/zinc/82/57/65/1080825765.db2.gz YYVRXGKHYUOOOZ-UHFFFAOYSA-N -1 0 419.868 2.487 20 5 HEBDRM Cc1c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1C(=O)N1CCOCC1 ZINC000768882967 1080831232 /nfs/dbraw/zinc/83/12/32/1080831232.db2.gz RQBMYICFCCCOJE-UHFFFAOYSA-N -1 0 411.461 2.238 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c(OC)c1 ZINC000768889852 1080835043 /nfs/dbraw/zinc/83/50/43/1080835043.db2.gz SQOHWEGVIHBKFQ-UHFFFAOYSA-N -1 0 402.406 2.261 20 5 HEBDRM O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768860781 1080842875 /nfs/dbraw/zinc/84/28/75/1080842875.db2.gz DCLHZYYPMLFIKX-LLVKDONJSA-N -1 0 411.461 2.366 20 5 HEBDRM NC(=O)C1CCN(c2cccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)c2)CC1 ZINC000768863432 1080843533 /nfs/dbraw/zinc/84/35/33/1080843533.db2.gz VRDXAAHVIFLTOO-UHFFFAOYSA-N -1 0 410.477 2.159 20 5 HEBDRM Cc1cn(-c2c(F)cccc2F)nc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000786927808 1080897357 /nfs/dbraw/zinc/89/73/57/1080897357.db2.gz YDIPABHSVDRTOR-UHFFFAOYSA-N -1 0 422.369 2.486 20 5 HEBDRM O=C(N[C@H](CCO)C1CC1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769409253 1081065783 /nfs/dbraw/zinc/06/57/83/1081065783.db2.gz BINSTAOHUKACSE-GOSISDBHSA-N -1 0 419.459 2.286 20 5 HEBDRM Cc1cc(C(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000431769503 939153408 /nfs/dbraw/zinc/15/34/08/939153408.db2.gz BZTLSTRELYEHIM-MRXNPFEDSA-N -1 0 423.784 2.368 20 5 HEBDRM CCO[C@@H]1C[C@](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1(C)C ZINC000439701097 939189940 /nfs/dbraw/zinc/18/99/40/939189940.db2.gz VKPXFLKFYWWRBV-KUHUBIRLSA-N -1 0 403.391 2.237 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000537365549 939265741 /nfs/dbraw/zinc/26/57/41/939265741.db2.gz YIQBVJGWGBQZLP-INIZCTEOSA-N -1 0 423.784 2.449 20 5 HEBDRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000770072333 1078709057 /nfs/dbraw/zinc/70/90/57/1078709057.db2.gz XARPDZMWQBHZJA-LBPRGKRZSA-N -1 0 401.441 2.011 20 5 HEBDRM CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cn1 ZINC000770150051 1078730163 /nfs/dbraw/zinc/73/01/63/1078730163.db2.gz UKHMKWCCXFKWCT-CYBMUJFWSA-N -1 0 421.479 2.166 20 5 HEBDRM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000746362755 1078875256 /nfs/dbraw/zinc/87/52/56/1078875256.db2.gz BQNUYRMMKOBRDT-CQSZACIVSA-N -1 0 407.379 2.189 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000770616808 1078917523 /nfs/dbraw/zinc/91/75/23/1078917523.db2.gz GYKJGMMHXISLRL-CYBMUJFWSA-N -1 0 421.479 2.479 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccccc1F ZINC000770772444 1078989518 /nfs/dbraw/zinc/98/95/18/1078989518.db2.gz LXFDXDRZUVXKAL-UHFFFAOYSA-N -1 0 422.369 2.486 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000770771864 1078990073 /nfs/dbraw/zinc/99/00/73/1078990073.db2.gz HGCLJKSONRNQJV-OLZOCXBDSA-N -1 0 422.390 2.114 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000770774296 1078991594 /nfs/dbraw/zinc/99/15/94/1078991594.db2.gz CNHUKFQZRQIMKI-OAHLLOKOSA-N -1 0 424.406 2.410 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000770774115 1078991628 /nfs/dbraw/zinc/99/16/28/1078991628.db2.gz AWZOJCXKJRCKAR-UHFFFAOYSA-N -1 0 403.731 2.414 20 5 HEBDRM O=C(COC1CCCC1)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749095 1079004255 /nfs/dbraw/zinc/00/42/55/1079004255.db2.gz OEQGEYQHMLZBSU-UHFFFAOYSA-N -1 0 407.242 2.121 20 5 HEBDRM CCOc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)=C2 ZINC000770777230 1079008864 /nfs/dbraw/zinc/00/88/64/1079008864.db2.gz YFEBEWXTBZBGTG-UHFFFAOYSA-N -1 0 422.390 2.414 20 5 HEBDRM COc1ccc(COCCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770777218 1079008883 /nfs/dbraw/zinc/00/88/83/1079008883.db2.gz XRFVZIRXLXUTOK-UHFFFAOYSA-N -1 0 412.395 2.154 20 5 HEBDRM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770776910 1079009095 /nfs/dbraw/zinc/00/90/95/1079009095.db2.gz WWFLGOIZVJOAJM-LLVKDONJSA-N -1 0 408.407 2.495 20 5 HEBDRM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000766511050 1079047251 /nfs/dbraw/zinc/04/72/51/1079047251.db2.gz OCBYHZYOCTZDTI-UHFFFAOYSA-N -1 0 412.807 2.335 20 5 HEBDRM Cc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000770834658 1079053043 /nfs/dbraw/zinc/05/30/43/1079053043.db2.gz OJZYJOTWPTUVLJ-UHFFFAOYSA-N -1 0 400.416 2.349 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1Cl ZINC000766838000 1079427469 /nfs/dbraw/zinc/42/74/69/1079427469.db2.gz CUUDIDDKWITASR-UHFFFAOYSA-N -1 0 406.203 2.424 20 5 HEBDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000740528812 1076187369 /nfs/dbraw/zinc/18/73/69/1076187369.db2.gz WYOIJFLWZPJHGT-UHFFFAOYSA-N -1 0 415.468 2.234 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000740559318 1076193034 /nfs/dbraw/zinc/19/30/34/1076193034.db2.gz SXVCBEQIRROJSA-UHFFFAOYSA-N -1 0 415.468 2.402 20 5 HEBDRM Cc1ccc(NS(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000742031114 1076726759 /nfs/dbraw/zinc/72/67/59/1076726759.db2.gz VKTLGHOSBQTHIQ-UHFFFAOYSA-N -1 0 403.413 2.215 20 5 HEBDRM COc1ccc(Cl)c(NC(=S)N[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000742976060 1076918470 /nfs/dbraw/zinc/91/84/70/1076918470.db2.gz XHLKPVZPFRDSAC-UHFFFAOYSA-N -1 0 416.868 2.437 20 5 HEBDRM CCCn1c(=O)[nH]c2cc(S(=O)(=O)[N-]C(=O)c3cc([N+](=O)[O-])ccc3C)ccc21 ZINC000743440965 1077054951 /nfs/dbraw/zinc/05/49/51/1077054951.db2.gz AKVLJYACFCWMQB-UHFFFAOYSA-N -1 0 418.431 2.487 20 5 HEBDRM Cc1nn(C)c(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000744008054 1077302943 /nfs/dbraw/zinc/30/29/43/1077302943.db2.gz SIBSSKBDRFNUFQ-NSHDSACASA-N -1 0 408.480 2.246 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCc2ccccc23)c([N+](=O)[O-])c1 ZINC000744012316 1077304796 /nfs/dbraw/zinc/30/47/96/1077304796.db2.gz MNZLJEOMOQPMNP-KXBFYZLASA-N -1 0 402.428 2.312 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000744040863 1077311756 /nfs/dbraw/zinc/31/17/56/1077311756.db2.gz NMBPRRAYXPMEPR-UHFFFAOYSA-N -1 0 417.443 2.299 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000744088174 1077316525 /nfs/dbraw/zinc/31/65/25/1077316525.db2.gz ZZFVROIUZISZSU-RDTXWAMCSA-N -1 0 417.399 2.212 20 5 HEBDRM CCCc1ncc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000744087997 1077316537 /nfs/dbraw/zinc/31/65/37/1077316537.db2.gz YNTODSHMNAYJRT-UHFFFAOYSA-N -1 0 400.394 2.031 20 5 HEBDRM CCOc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2OC)c([N+](=O)[O-])cc1OC ZINC000744209340 1077341141 /nfs/dbraw/zinc/34/11/41/1077341141.db2.gz NYHQBJCCYUDGGY-UHFFFAOYSA-N -1 0 410.404 2.129 20 5 HEBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000744256478 1077350934 /nfs/dbraw/zinc/35/09/34/1077350934.db2.gz GZFHEWIWSYDWAT-JXMROGBWSA-N -1 0 416.390 2.438 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000744289389 1077356748 /nfs/dbraw/zinc/35/67/48/1077356748.db2.gz GFXSSIJEOYNAIJ-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3cccnc3)cc2[N+](=O)[O-])C1 ZINC000766907429 1079516700 /nfs/dbraw/zinc/51/67/00/1079516700.db2.gz WKAGKRXAYJBKDO-AWEZNQCLSA-N -1 0 418.475 2.486 20 5 HEBDRM O=C([O-])COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000767105066 1079660991 /nfs/dbraw/zinc/66/09/91/1079660991.db2.gz JNVMVELHFZDAFO-UHFFFAOYSA-N -1 0 401.375 2.147 20 5 HEBDRM CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000767430587 1079859991 /nfs/dbraw/zinc/85/99/91/1079859991.db2.gz NQMSARZWMGLICH-UHFFFAOYSA-N -1 0 407.235 2.316 20 5 HEBDRM Cc1cc(F)ccc1-n1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1 ZINC000767435615 1079862823 /nfs/dbraw/zinc/86/28/23/1079862823.db2.gz QLTRMWOIDGOFSB-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000767569333 1079978313 /nfs/dbraw/zinc/97/83/13/1079978313.db2.gz KFIFYIVTXFGZIF-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM CN(CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000772637319 1079995616 /nfs/dbraw/zinc/99/56/16/1079995616.db2.gz MOIXGGCBSHTAHR-UHFFFAOYSA-N -1 0 403.460 2.415 20 5 HEBDRM CCCCn1ncc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)c1C ZINC000772654301 1080013494 /nfs/dbraw/zinc/01/34/94/1080013494.db2.gz NJZHAWHHLOQVSB-UHFFFAOYSA-N -1 0 415.859 2.254 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2cc(OC(F)F)n(C)n2)cc1[N+](=O)[O-] ZINC000767953805 1080248434 /nfs/dbraw/zinc/24/84/34/1080248434.db2.gz FSXDTCRBFLBBBO-UHFFFAOYSA-N -1 0 424.769 2.010 20 5 HEBDRM CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000768173004 1080385599 /nfs/dbraw/zinc/38/55/99/1080385599.db2.gz SRUPTQPINJYQNI-UHFFFAOYSA-N -1 0 400.435 2.208 20 5 HEBDRM Cn1nccc1S(=O)(=O)[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786495528 1080656838 /nfs/dbraw/zinc/65/68/38/1080656838.db2.gz CSZKDCSKOGBEGX-UHFFFAOYSA-N -1 0 416.415 2.026 20 5 HEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000786652105 1080734821 /nfs/dbraw/zinc/73/48/21/1080734821.db2.gz WMNXYGORGLOVHM-UHFFFAOYSA-N -1 0 400.416 2.462 20 5 HEBDRM COC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)cc1F ZINC000768761103 1080751210 /nfs/dbraw/zinc/75/12/10/1080751210.db2.gz MNOUMKAIJATGEV-UHFFFAOYSA-N -1 0 410.379 2.256 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000768769017 1080754185 /nfs/dbraw/zinc/75/41/85/1080754185.db2.gz BSFDACSAWWDOTJ-MRXNPFEDSA-N -1 0 407.423 2.203 20 5 HEBDRM CCc1ccccc1S(=O)(=O)[N-]C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000786647939 1080754854 /nfs/dbraw/zinc/75/48/54/1080754854.db2.gz JYKHVKOSAFSAKQ-UHFFFAOYSA-N -1 0 400.416 2.462 20 5 HEBDRM O=C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1cnn(CC(F)(F)F)c1 ZINC000786938472 1080898691 /nfs/dbraw/zinc/89/86/91/1080898691.db2.gz KZCOQSUCUOKGRS-UHFFFAOYSA-N -1 0 412.733 2.126 20 5 HEBDRM Cc1nn(CCC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000787004864 1080919843 /nfs/dbraw/zinc/91/98/43/1080919843.db2.gz XUEACQVQAPQSOC-UHFFFAOYSA-N -1 0 418.834 2.237 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)ccc1[N+](=O)[O-] ZINC000786987660 1080941725 /nfs/dbraw/zinc/94/17/25/1080941725.db2.gz OIDJRCUQOHMBGD-UHFFFAOYSA-N -1 0 403.416 2.297 20 5 HEBDRM O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCCOC1 ZINC000762252735 939073667 /nfs/dbraw/zinc/07/36/67/939073667.db2.gz KWPJAXZUNANDQK-JMCQJSRRSA-N -1 0 405.176 2.106 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2[N+](=O)[O-])C1 ZINC000432124524 939180960 /nfs/dbraw/zinc/18/09/60/939180960.db2.gz ZPKRFHXGGJOTDW-XUWXXGDYSA-N -1 0 405.451 2.441 20 5 HEBDRM Cc1ccc(NC(=O)N[C@@](C)(C(=O)[O-])c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000514772346 939238026 /nfs/dbraw/zinc/23/80/26/939238026.db2.gz BLGVSEZCJWSBPP-GOSISDBHSA-N -1 0 421.431 2.428 20 5 HEBDRM Cc1nn(Cc2ccc(C(=O)N[C@]3(C(=O)[O-])CCSC3)cc2)c(C)c1[N+](=O)[O-] ZINC000538506427 939278743 /nfs/dbraw/zinc/27/87/43/939278743.db2.gz WEKSBJLOQXDANX-GOSISDBHSA-N -1 0 404.448 2.147 20 5 HEBDRM COc1ccc(OCCNC(=O)N[C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000604534252 939807203 /nfs/dbraw/zinc/80/72/03/939807203.db2.gz JQDBQBMNUZBTCW-IBGZPJMESA-N -1 0 403.391 2.281 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccnc2OCC(F)F)cc([N+](=O)[O-])c1C ZINC000770090544 1078716511 /nfs/dbraw/zinc/71/65/11/1078716511.db2.gz IHLKPEZSYZXVLU-UHFFFAOYSA-N -1 0 415.374 2.369 20 5 HEBDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770123335 1078739773 /nfs/dbraw/zinc/73/97/73/1078739773.db2.gz DJVVFVCRTDHUEU-OKILXGFUSA-N -1 0 412.512 2.392 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccccn3)cc2[N+](=O)[O-])C1 ZINC000770134222 1078743566 /nfs/dbraw/zinc/74/35/66/1078743566.db2.gz RQBRXWCEMDBWHC-CYBMUJFWSA-N -1 0 404.448 2.345 20 5 HEBDRM C[C@H]1C[C@H](C)CN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3ccon3)cc2[N+](=O)[O-])C1 ZINC000770141873 1078745404 /nfs/dbraw/zinc/74/54/04/1078745404.db2.gz PTSFMHIGYJCPCA-STQMWFEESA-N -1 0 422.463 2.325 20 5 HEBDRM CCCN(CCC)C(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770764859 1078984917 /nfs/dbraw/zinc/98/49/17/1078984917.db2.gz CZSAMOAIUVKGFS-UHFFFAOYSA-N -1 0 417.459 2.358 20 5 HEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC000770734962 1078995453 /nfs/dbraw/zinc/99/54/53/1078995453.db2.gz DZMHMHWJNSMMRI-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM CC(=O)CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770777243 1079008442 /nfs/dbraw/zinc/00/84/42/1079008442.db2.gz YQFKILLXDXAZPF-UHFFFAOYSA-N -1 0 424.406 2.139 20 5 HEBDRM C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)NC(=O)C1CCCCC1 ZINC000770777465 1079008532 /nfs/dbraw/zinc/00/85/32/1079008532.db2.gz VTJXUKVUQZWEDR-LLVKDONJSA-N -1 0 415.443 2.014 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000770806457 1079026855 /nfs/dbraw/zinc/02/68/55/1079026855.db2.gz DJISWLKBXRIWQD-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cnc(Br)cn2)c2ncccc12 ZINC000766502473 1079044897 /nfs/dbraw/zinc/04/48/97/1079044897.db2.gz PJAAEIZAMFDKCM-UHFFFAOYSA-N -1 0 410.209 2.496 20 5 HEBDRM 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O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1Br ZINC000740075006 1076101127 /nfs/dbraw/zinc/10/11/27/1076101127.db2.gz ANOUXYDEUKTSQL-UHFFFAOYSA-N -1 0 411.212 2.257 20 5 HEBDRM CS[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000740547203 1076189830 /nfs/dbraw/zinc/18/98/30/1076189830.db2.gz XMOPSGPRCRASJV-AWEZNQCLSA-N -1 0 411.417 2.412 20 5 HEBDRM CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)cn1 ZINC000741750182 1076618629 /nfs/dbraw/zinc/61/86/29/1076618629.db2.gz SOCLYEZIAFEONO-UHFFFAOYSA-N -1 0 414.827 2.131 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(Cn3cccnc3=O)c2)cc1[N+](=O)[O-] ZINC000742027752 1076722512 /nfs/dbraw/zinc/72/25/12/1076722512.db2.gz IIQWGGJYJQHNDU-UHFFFAOYSA-N -1 0 418.406 2.448 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000742028787 1076723130 /nfs/dbraw/zinc/72/31/30/1076723130.db2.gz HGUHRBBDQSNNLX-UHFFFAOYSA-N -1 0 423.422 2.316 20 5 HEBDRM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000742287300 1076817099 /nfs/dbraw/zinc/81/70/99/1076817099.db2.gz DEWGOKOTMIJDNG-SECBINFHSA-N -1 0 412.251 2.411 20 5 HEBDRM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000743442711 1077051018 /nfs/dbraw/zinc/05/10/18/1077051018.db2.gz XDKNCLWAZVUIRG-UHFFFAOYSA-N -1 0 416.415 2.298 20 5 HEBDRM CC(C)(C)CNC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000744001690 1077288399 /nfs/dbraw/zinc/28/83/99/1077288399.db2.gz GJONMQIZYJLMQS-UHFFFAOYSA-N -1 0 419.459 2.489 20 5 HEBDRM COCCOCc1cc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000744001605 1077288555 /nfs/dbraw/zinc/28/85/55/1077288555.db2.gz BOBPFMLPJDODGH-UHFFFAOYSA-N -1 0 412.395 2.016 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000744040825 1077311613 /nfs/dbraw/zinc/31/16/13/1077311613.db2.gz MULOFINKMZRHBC-UHFFFAOYSA-N -1 0 423.378 2.118 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000744152373 1077332870 /nfs/dbraw/zinc/33/28/70/1077332870.db2.gz OEMWDARAYGRQJP-LSDHHAIUSA-N -1 0 418.427 2.283 20 5 HEBDRM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N-]S(=O)(=O)CC(F)(F)F ZINC000744268563 1077355235 /nfs/dbraw/zinc/35/52/35/1077355235.db2.gz VFWQMDJFRUMFON-UHFFFAOYSA-N -1 0 423.291 2.424 20 5 HEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)cc1OC ZINC000744297933 1077360347 /nfs/dbraw/zinc/36/03/47/1077360347.db2.gz CJEFJIAAZNCPQG-UHFFFAOYSA-N -1 0 424.431 2.141 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2cccc(C(C)=O)c2)c([N+](=O)[O-])c1 ZINC000745312695 1077806033 /nfs/dbraw/zinc/80/60/33/1077806033.db2.gz NYOIZZVBOCKGIF-LBPRGKRZSA-N -1 0 422.415 2.078 20 5 HEBDRM CC(=O)CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000745312475 1077806192 /nfs/dbraw/zinc/80/61/92/1077806192.db2.gz KXBTULHMTHGVQR-UHFFFAOYSA-N -1 0 406.416 2.000 20 5 HEBDRM CC(C)(C)OC(=O)CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000772198853 1079757480 /nfs/dbraw/zinc/75/74/80/1079757480.db2.gz IVPPIAFEXPOHLC-SNVBAGLBSA-N -1 0 422.843 2.102 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)OC[C@@H](C)CO)cc1 ZINC000785510330 1080058713 /nfs/dbraw/zinc/05/87/13/1080058713.db2.gz YCOBYYMSPLXFQK-LBPRGKRZSA-N -1 0 424.431 2.189 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000785701237 1080172440 /nfs/dbraw/zinc/17/24/40/1080172440.db2.gz BJEFHLNPVQMMFK-WCBMZHEXSA-N -1 0 407.242 2.089 20 5 HEBDRM COc1cc(OCC(=O)[N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000786505201 1080661679 /nfs/dbraw/zinc/66/16/79/1080661679.db2.gz HFJBIKKYJGZEJY-UHFFFAOYSA-N -1 0 412.395 2.243 20 5 HEBDRM CCOC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccccc2CC)cc([N+](=O)[O-])c1 ZINC000786662850 1080748266 /nfs/dbraw/zinc/74/82/66/1080748266.db2.gz HHDZREXAWXFBFI-UHFFFAOYSA-N -1 0 406.416 2.453 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(C)cc1Br ZINC000768804910 1080782947 /nfs/dbraw/zinc/78/29/47/1080782947.db2.gz SCIUCYAEBZBZBN-UHFFFAOYSA-N -1 0 414.237 2.488 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000768780245 1080794135 /nfs/dbraw/zinc/79/41/35/1080794135.db2.gz PPHJKWSLLBOHSO-KRWDZBQOSA-N -1 0 403.460 2.373 20 5 HEBDRM O=C(/C=C/c1ccco1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768784801 1080796987 /nfs/dbraw/zinc/79/69/87/1080796987.db2.gz OXEZKOMVCJQYNQ-GQCTYLIASA-N -1 0 401.194 2.469 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C1CCSCC1 ZINC000768786168 1080797411 /nfs/dbraw/zinc/79/74/11/1080797411.db2.gz NKKJBKGYPNWVBZ-UHFFFAOYSA-N -1 0 409.283 2.305 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000786777427 1080818132 /nfs/dbraw/zinc/81/81/32/1080818132.db2.gz MMMLEUQWPWXVRK-PELKAZGASA-N -1 0 423.319 2.307 20 5 HEBDRM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000768869113 1080825118 /nfs/dbraw/zinc/82/51/18/1080825118.db2.gz SUUKPDIXUNTUII-UHFFFAOYSA-N -1 0 419.868 2.299 20 5 HEBDRM COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1cccc2c1CCN2C(C)=O ZINC000768888784 1080834461 /nfs/dbraw/zinc/83/44/61/1080834461.db2.gz WDGXNXZWOXPDPZ-UHFFFAOYSA-N -1 0 419.415 2.091 20 5 HEBDRM O=C1CCCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768889705 1080834980 /nfs/dbraw/zinc/83/49/80/1080834980.db2.gz IMTLKXNTDGWSRA-UHFFFAOYSA-N -1 0 409.445 2.496 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000786999726 1080910136 /nfs/dbraw/zinc/91/01/36/1080910136.db2.gz LBBAWNUEEYKHNG-UHFFFAOYSA-N -1 0 416.770 2.376 20 5 HEBDRM Cc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000769301702 1081035403 /nfs/dbraw/zinc/03/54/03/1081035403.db2.gz FYAMMNKGGOAROO-UHFFFAOYSA-N -1 0 408.417 2.233 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000035686022 526086896 /nfs/dbraw/zinc/08/68/96/526086896.db2.gz IPGLDVMEBNJKQN-MRXNPFEDSA-N -1 0 403.416 2.359 20 5 HEBDRM O=C([O-])[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCCOC1 ZINC000762252737 939073675 /nfs/dbraw/zinc/07/36/75/939073675.db2.gz KWPJAXZUNANDQK-JVXZTZIISA-N -1 0 405.176 2.106 20 5 HEBDRM Cc1nn(C)c(C(=O)N[C@](C)(C(=O)[O-])c2cccc(Br)c2)c1[N+](=O)[O-] ZINC000776649480 939093264 /nfs/dbraw/zinc/09/32/64/939093264.db2.gz RZSIENVWXYGAOB-HNNXBMFYSA-N -1 0 411.212 2.129 20 5 HEBDRM Cc1nn(CCC(=O)N[C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)c(C)c1[N+](=O)[O-] ZINC000538505270 939277584 /nfs/dbraw/zinc/27/75/84/939277584.db2.gz NNZNTHFIYUJBCD-AWEZNQCLSA-N -1 0 412.349 2.342 20 5 HEBDRM Cc1cc(=O)c(C(=O)NC2(C(=O)[O-])CCCCCC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000553994278 939298265 /nfs/dbraw/zinc/29/82/65/939298265.db2.gz LCSQRGVBWAZOHL-UHFFFAOYSA-N -1 0 414.418 2.357 20 5 HEBDRM 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414.237 2.321 20 5 HEBDRM CCOC(=O)COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000785540562 1080049621 /nfs/dbraw/zinc/04/96/21/1080049621.db2.gz ZTFMVTRUOZCZSQ-UHFFFAOYSA-N -1 0 422.415 2.424 20 5 HEBDRM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000742232208 1080092227 /nfs/dbraw/zinc/09/22/27/1080092227.db2.gz HPGFNOUBNFTOAI-UHFFFAOYSA-N -1 0 400.210 2.257 20 5 HEBDRM C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000785703643 1080213609 /nfs/dbraw/zinc/21/36/09/1080213609.db2.gz XQFXABIIJFKAIZ-WCBMZHEXSA-N -1 0 407.242 2.089 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000785971650 1080328458 /nfs/dbraw/zinc/32/84/58/1080328458.db2.gz BNTIMUQPXKVVJZ-UHFFFAOYSA-N -1 0 421.431 2.176 20 5 HEBDRM COC(=O)CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000786099529 1080393929 /nfs/dbraw/zinc/39/39/29/1080393929.db2.gz PJSLRECYFUBHJV-UHFFFAOYSA-N -1 0 408.388 2.199 20 5 HEBDRM 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O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(N3CCCS3(=O)=O)c2)cs1 ZINC000768883226 1080831274 /nfs/dbraw/zinc/83/12/74/1080831274.db2.gz YIQGATYTRPYGBP-UHFFFAOYSA-N -1 0 421.453 2.136 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000769294209 1081032283 /nfs/dbraw/zinc/03/22/83/1081032283.db2.gz PLQWXMVRACMOCE-UHFFFAOYSA-N -1 0 417.447 2.362 20 5 HEBDRM O=C(CCC(=O)c1ccc(Cl)cn1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000769296923 1081032696 /nfs/dbraw/zinc/03/26/96/1081032696.db2.gz DJCBXZWLNBZRRS-UHFFFAOYSA-N -1 0 403.825 2.173 20 5 HEBDRM CCn1c(=O)c2ccc(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2[n-]c1=S ZINC000769626804 1081143848 /nfs/dbraw/zinc/14/38/48/1081143848.db2.gz XHRLQRJXOWEEQW-UHFFFAOYSA-N -1 0 424.442 2.420 20 5 HEBDRM CC1CCN(c2ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)cc2[N+](=O)[O-])CC1 ZINC000432122958 939180414 /nfs/dbraw/zinc/18/04/14/939180414.db2.gz RHPNTLXXKDBIRT-QAPCUYQASA-N -1 0 405.451 2.441 20 5 HEBDRM CCO[C@H]1C[C@](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1(C)C ZINC000439701098 939189990 /nfs/dbraw/zinc/18/99/90/939189990.db2.gz VKPXFLKFYWWRBV-LIRRHRJNSA-N -1 0 403.391 2.237 20 5 HEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000611464199 939809178 /nfs/dbraw/zinc/80/91/78/939809178.db2.gz CLCMVCNNUWNMAI-BONVTDFDSA-N -1 0 405.794 2.309 20 5 HEBDRM COC(=O)c1cc(S(=O)(=O)Oc2c(Br)cccc2[N+](=O)[O-])c[n-]1 ZINC000769927064 1078661874 /nfs/dbraw/zinc/66/18/74/1078661874.db2.gz QVSGBAIOVFWNFG-UHFFFAOYSA-N -1 0 405.182 2.240 20 5 HEBDRM C[C@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000745950235 1078706035 /nfs/dbraw/zinc/70/60/35/1078706035.db2.gz JFXWIXVGMBVKHJ-GFCCVEGCSA-N -1 0 423.403 2.413 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCOCC3)cc2)cc([N+](=O)[O-])c1C ZINC000770093664 1078719245 /nfs/dbraw/zinc/71/92/45/1078719245.db2.gz WTHXVZOSMOONFN-UHFFFAOYSA-N -1 0 419.459 2.167 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000770140687 1078744942 /nfs/dbraw/zinc/74/49/42/1078744942.db2.gz OUAICDVMSGNMDT-SNVBAGLBSA-N -1 0 409.386 2.453 20 5 HEBDRM Cc1ccnc(S(=O)(=O)[N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000770513304 1078872136 /nfs/dbraw/zinc/87/21/36/1078872136.db2.gz DJEVHIKYMXFKCC-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cnn(Cc2ccccc2)c1 ZINC000770727638 1078954366 /nfs/dbraw/zinc/95/43/66/1078954366.db2.gz DLQWAMWMSNVCLJ-UHFFFAOYSA-N -1 0 404.379 2.097 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cnn1-c1ccccc1 ZINC000770772550 1078989558 /nfs/dbraw/zinc/98/95/58/1078989558.db2.gz NGFGPXYHYMHNGH-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)cccc1[N+](=O)[O-] ZINC000770736895 1078996528 /nfs/dbraw/zinc/99/65/28/1078996528.db2.gz YTBAAOPYHVFOGJ-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cnc(-c2ccccc2)nc1 ZINC000770775744 1079008583 /nfs/dbraw/zinc/00/85/83/1079008583.db2.gz CHNOYWRFFNQEGF-UHFFFAOYSA-N -1 0 402.363 2.310 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000770746635 1079003167 /nfs/dbraw/zinc/00/31/67/1079003167.db2.gz KXZGBICIVMAJJQ-UHFFFAOYSA-N -1 0 404.173 2.010 20 5 HEBDRM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000770750053 1079005179 /nfs/dbraw/zinc/00/51/79/1079005179.db2.gz TVQMGRMNMSAHFV-QPUJVOFHSA-N -1 0 407.242 2.120 20 5 HEBDRM NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000770855847 1079040597 /nfs/dbraw/zinc/04/05/97/1079040597.db2.gz GTOQFQVSJADBBI-HQWZXOHUSA-N -1 0 424.413 2.042 20 5 HEBDRM CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000770840123 1079055178 /nfs/dbraw/zinc/05/51/78/1079055178.db2.gz ALTQTSQXQRWPHL-UHFFFAOYSA-N -1 0 419.394 2.200 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2cccc([S@@](C)=O)c2)cc1[N+](=O)[O-] ZINC000770835741 1079053466 /nfs/dbraw/zinc/05/34/66/1079053466.db2.gz QYARMSHCOKLUKT-RUZDIDTESA-N -1 0 416.864 2.413 20 5 HEBDRM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n(C2CCOCC2)n1 ZINC000771130268 1079183546 /nfs/dbraw/zinc/18/35/46/1079183546.db2.gz FGTXFCJGDWUREZ-UHFFFAOYSA-N -1 0 411.396 2.160 20 5 HEBDRM CC(C)c1n[nH]c(C(=O)[N-]n2cnc3sc4c(c3c2=O)CCCC4)c1[N+](=O)[O-] ZINC000771244900 1079225591 /nfs/dbraw/zinc/22/55/91/1079225591.db2.gz XUSBUAISZDDBLX-UHFFFAOYSA-N -1 0 402.436 2.475 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)cnn1C(C)C ZINC000771283535 1079239844 /nfs/dbraw/zinc/23/98/44/1079239844.db2.gz FTFAOEDZONOAKV-UHFFFAOYSA-N -1 0 401.832 2.035 20 5 HEBDRM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)CCCC(F)(F)F)cc1OC ZINC000766674994 1079264595 /nfs/dbraw/zinc/26/45/95/1079264595.db2.gz WTSJYEYCQAXGAU-UHFFFAOYSA-N -1 0 414.358 2.404 20 5 HEBDRM COC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000737325960 1075899951 /nfs/dbraw/zinc/89/99/51/1075899951.db2.gz LEPAXRCNMBFXIO-UHFFFAOYSA-N -1 0 412.807 2.295 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)CSCC(=O)OC(C)(C)C)cc([N+](=O)[O-])c1C ZINC000741431322 1076523659 /nfs/dbraw/zinc/52/36/59/1076523659.db2.gz JVSQUBJFJCZDBV-UHFFFAOYSA-N -1 0 418.493 2.091 20 5 HEBDRM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000742029275 1076724696 /nfs/dbraw/zinc/72/46/96/1076724696.db2.gz DZVGSIINMKOHEL-SNVBAGLBSA-N -1 0 407.360 2.270 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1N1CCOC1=O ZINC000743266758 1077018561 /nfs/dbraw/zinc/01/85/61/1077018561.db2.gz RSULZQUYXGMWHZ-UHFFFAOYSA-N -1 0 411.367 2.500 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000743441828 1077051072 /nfs/dbraw/zinc/05/10/72/1077051072.db2.gz UVQSQKWWNRTZBV-VIFPVBQESA-N -1 0 421.859 2.275 20 5 HEBDRM Cn1cc(-c2cccc(C(=O)[N-]S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000744009774 1077302954 /nfs/dbraw/zinc/30/29/54/1077302954.db2.gz VIXOVYPRKISCFB-UHFFFAOYSA-N -1 0 400.416 2.255 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C)CC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000744011826 1077303859 /nfs/dbraw/zinc/30/38/59/1077303859.db2.gz HXJXTANPXOFCRL-LLVKDONJSA-N -1 0 424.406 2.457 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CC(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000744011827 1077303957 /nfs/dbraw/zinc/30/39/57/1077303957.db2.gz HXJXTANPXOFCRL-NSHDSACASA-N -1 0 424.406 2.457 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000744013295 1077305726 /nfs/dbraw/zinc/30/57/26/1077305726.db2.gz XCXGXMCKGHZNRH-DGCLKSJQSA-N -1 0 412.370 2.490 20 5 HEBDRM CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000744085407 1077315880 /nfs/dbraw/zinc/31/58/80/1077315880.db2.gz MSFVJCWZKINUED-UHFFFAOYSA-N -1 0 413.339 2.160 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000744152372 1077332903 /nfs/dbraw/zinc/33/29/03/1077332903.db2.gz OEMWDARAYGRQJP-HUUCEWRRSA-N -1 0 418.427 2.283 20 5 HEBDRM Nc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000744297733 1077361195 /nfs/dbraw/zinc/36/11/95/1077361195.db2.gz XCROJYWXBZYLCT-UHFFFAOYSA-N -1 0 414.237 2.199 20 5 HEBDRM Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)ccc1N1C(=O)CCC1=O ZINC000766317347 1077432254 /nfs/dbraw/zinc/43/22/54/1077432254.db2.gz KESLYDIBAMITIF-UHFFFAOYSA-N -1 0 419.415 2.371 20 5 HEBDRM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1 ZINC000767212268 1079741058 /nfs/dbraw/zinc/74/10/58/1079741058.db2.gz TXVOHVNLGRUVLV-UHFFFAOYSA-N -1 0 407.404 2.015 20 5 HEBDRM O=C(CCc1cc2ccccc2[nH]c1=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000767429402 1079859389 /nfs/dbraw/zinc/85/93/89/1079859389.db2.gz ABIFEXUZWATYSX-UHFFFAOYSA-N -1 0 401.400 2.286 20 5 HEBDRM O=C(CCc1cc2ccccc2[nH]c1=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000767434751 1079862153 /nfs/dbraw/zinc/86/21/53/1079862153.db2.gz WMNPIVOZPJCOJB-UHFFFAOYSA-N -1 0 415.427 2.427 20 5 HEBDRM O=C(CCC(=O)c1cccc(F)c1)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000767467530 1079869060 /nfs/dbraw/zinc/86/90/60/1079869060.db2.gz OMBPPXTYBPWIEF-UHFFFAOYSA-N -1 0 408.407 2.386 20 5 HEBDRM Cn1c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nc2cccnc21 ZINC000767697303 1080028016 /nfs/dbraw/zinc/02/80/16/1080028016.db2.gz IZRHMVFLIOYOTE-UHFFFAOYSA-N -1 0 412.225 2.440 20 5 HEBDRM CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000785972870 1080331458 /nfs/dbraw/zinc/33/14/58/1080331458.db2.gz TWQNLKQMKCMRTE-UHFFFAOYSA-N -1 0 423.447 2.178 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000768127530 1080361266 /nfs/dbraw/zinc/36/12/66/1080361266.db2.gz DSBOZIQBETXNMY-UHFFFAOYSA-N -1 0 415.383 2.233 20 5 HEBDRM O=C1NCc2cccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)c21 ZINC000768496018 1080591946 /nfs/dbraw/zinc/59/19/46/1080591946.db2.gz DWJJSLXBHDJANB-UHFFFAOYSA-N -1 0 412.221 2.402 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cn1C ZINC000768503862 1080596032 /nfs/dbraw/zinc/59/60/32/1080596032.db2.gz LCYRFUCXECXSBL-UHFFFAOYSA-N -1 0 418.225 2.283 20 5 HEBDRM O=C1NCc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Br)cc21 ZINC000768505868 1080596609 /nfs/dbraw/zinc/59/66/09/1080596609.db2.gz MBELVWQDMGHWCI-UHFFFAOYSA-N -1 0 412.221 2.402 20 5 HEBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[C@@H](O)C1 ZINC000768524114 1080609949 /nfs/dbraw/zinc/60/99/49/1080609949.db2.gz FYJBRRPFPGUJLE-WBMJQRKESA-N -1 0 407.448 2.221 20 5 HEBDRM C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)CCN1C(=O)OC(C)(C)C ZINC000786457952 1080638292 /nfs/dbraw/zinc/63/82/92/1080638292.db2.gz XVFTYPNFPKHCTN-GXSJLCMTSA-N -1 0 419.481 2.107 20 5 HEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1Cc1ccccc1 ZINC000768808645 1080786695 /nfs/dbraw/zinc/78/66/95/1080786695.db2.gz ZLAMDQHHUJNQNW-LJQANCHMSA-N -1 0 417.487 2.248 20 5 HEBDRM CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)O1 ZINC000768783156 1080795978 /nfs/dbraw/zinc/79/59/78/1080795978.db2.gz DXJPVRFVERQCPD-ONGXEEELSA-N -1 0 407.242 2.120 20 5 HEBDRM O=C(CCc1ccoc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768787228 1080798276 /nfs/dbraw/zinc/79/82/76/1080798276.db2.gz XZFUFYLPRMYEIY-UHFFFAOYSA-N -1 0 403.210 2.388 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000786775846 1080817149 /nfs/dbraw/zinc/81/71/49/1080817149.db2.gz FQUKWNHVFJYSDS-ZDUSSCGKSA-N -1 0 405.329 2.088 20 5 HEBDRM Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000786779743 1080820357 /nfs/dbraw/zinc/82/03/57/1080820357.db2.gz UTFPGYOKJYXNEJ-MFKMUULPSA-N -1 0 419.356 2.477 20 5 HEBDRM O=C(c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1)N1CCC(O)CC1 ZINC000768867697 1080824767 /nfs/dbraw/zinc/82/47/67/1080824767.db2.gz HQTSTNRUGUFKPY-UHFFFAOYSA-N -1 0 411.461 2.054 20 5 HEBDRM Cc1c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cccc1[N+](=O)[O-] ZINC000787000632 1080912680 /nfs/dbraw/zinc/91/26/80/1080912680.db2.gz SHJKDNWENBZPDA-UHFFFAOYSA-N -1 0 403.416 2.297 20 5 HEBDRM Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1[N+](=O)[O-] ZINC000787001444 1080914462 /nfs/dbraw/zinc/91/44/62/1080914462.db2.gz UJMCSHXIIQINBD-UHFFFAOYSA-N -1 0 403.416 2.297 20 5 HEBDRM O=C([O-])[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cc(F)ccc1F ZINC000766955854 939078490 /nfs/dbraw/zinc/07/84/90/939078490.db2.gz YNUBEPGKVATTFE-OAHLLOKOSA-N -1 0 403.301 2.009 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000766962315 939083322 /nfs/dbraw/zinc/08/33/22/939083322.db2.gz USZVWTSDHMMNJO-HNNXBMFYSA-N -1 0 403.301 2.009 20 5 HEBDRM CCO[C@H]1C[C@@](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C ZINC000439698113 939188003 /nfs/dbraw/zinc/18/80/03/939188003.db2.gz XANKNGLOXXFECI-HNAYVOBHSA-N -1 0 402.407 2.169 20 5 HEBDRM CCO[C@H]1C[C@@](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)(C(=O)[O-])C1(C)C ZINC000439722673 939202522 /nfs/dbraw/zinc/20/25/22/939202522.db2.gz VTADAUSGQSLYDI-HNAYVOBHSA-N -1 0 402.407 2.169 20 5 HEBDRM CC[C@@](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)(C(=O)[O-])c1ccccc1 ZINC000485361740 939226415 /nfs/dbraw/zinc/22/64/15/939226415.db2.gz BLTNAVDSAAGORJ-SFHVURJKSA-N -1 0 406.416 2.118 20 5 HEBDRM O=C([O-])C1(NC(=O)c2cc(I)cc([N+](=O)[O-])c2)CCCC1 ZINC000580691175 939772685 /nfs/dbraw/zinc/77/26/85/939772685.db2.gz CDUHUIJRVQONJQ-UHFFFAOYSA-N -1 0 404.160 2.327 20 5 HEBDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2OC)c([N+](=O)[O-])c1 ZINC000769671419 1078510536 /nfs/dbraw/zinc/51/05/36/1078510536.db2.gz KMVXUCTVXQQWAQ-UHFFFAOYSA-N -1 0 411.348 2.099 20 5 HEBDRM COc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc([N-]S(C)(=O)=O)c1OC ZINC000745537666 1078529358 /nfs/dbraw/zinc/52/93/58/1078529358.db2.gz NIYCQKKPELWCOD-UHFFFAOYSA-N -1 0 410.404 2.341 20 5 HEBDRM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000769776516 1078551881 /nfs/dbraw/zinc/55/18/81/1078551881.db2.gz KLOUPHZYQKXFJL-UHFFFAOYSA-N -1 0 404.198 2.081 20 5 HEBDRM O=C(COC(=O)c1cc(Br)ncc1[N+](=O)[O-])[N-]OCc1ccccc1 ZINC000769837608 1078598760 /nfs/dbraw/zinc/59/87/60/1078598760.db2.gz DCJHUELIPUMVNU-UHFFFAOYSA-N -1 0 410.180 2.157 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)c(F)c1 ZINC000745966929 1078711833 /nfs/dbraw/zinc/71/18/33/1078711833.db2.gz YMWHGHFOOJUFMR-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM CC(C)(C)OC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])nc2)c1 ZINC000770151307 1078730667 /nfs/dbraw/zinc/73/06/67/1078730667.db2.gz UUYSPQHYHJDGKS-UHFFFAOYSA-N -1 0 407.404 2.064 20 5 HEBDRM CCOCCS(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770132277 1078742748 /nfs/dbraw/zinc/74/27/48/1078742748.db2.gz QCMHUSVWUNOMEL-OKILXGFUSA-N -1 0 413.496 2.173 20 5 HEBDRM C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000770140685 1078745032 /nfs/dbraw/zinc/74/50/32/1078745032.db2.gz OUAICDVMSGNMDT-JTQLQIEISA-N -1 0 409.386 2.453 20 5 HEBDRM CCN(CC)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000746177394 1078811312 /nfs/dbraw/zinc/81/13/12/1078811312.db2.gz LRTDFBQFIHTFHX-INIZCTEOSA-N -1 0 423.466 2.492 20 5 HEBDRM C[C@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000746417776 1078910900 /nfs/dbraw/zinc/91/09/00/1078910900.db2.gz BXHABYXIYOPMHF-QWRGUYRKSA-N -1 0 406.844 2.027 20 5 HEBDRM COc1ccc(Cl)cc1CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770764818 1078985119 /nfs/dbraw/zinc/98/51/19/1078985119.db2.gz BUNPZTNVOZUKTK-UHFFFAOYSA-N -1 0 402.787 2.444 20 5 HEBDRM COc1ccc2c(ccn2CC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770768002 1078987201 /nfs/dbraw/zinc/98/72/01/1078987201.db2.gz PPKOHKSJEAMNTH-UHFFFAOYSA-N -1 0 407.379 2.202 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000770771874 1078990225 /nfs/dbraw/zinc/99/02/25/1078990225.db2.gz HGCLJKSONRNQJV-STQMWFEESA-N -1 0 422.390 2.114 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000770772620 1078991206 /nfs/dbraw/zinc/99/12/06/1078991206.db2.gz NXQDNEMVMQQMMP-UHFFFAOYSA-N -1 0 408.342 2.382 20 5 HEBDRM Cc1nnc(-c2cccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)c2)o1 ZINC000770775465 1078992073 /nfs/dbraw/zinc/99/20/73/1078992073.db2.gz NGROQPUZRSQPHT-UHFFFAOYSA-N -1 0 406.351 2.211 20 5 HEBDRM CCO[C@H](C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000770776848 1079008804 /nfs/dbraw/zinc/00/88/04/1079008804.db2.gz UZKSUYMFQCVQEO-MRVPVSSYSA-N -1 0 403.413 2.407 20 5 HEBDRM O=C(N[C@H]1CCc2cncn2C1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000804337088 1079380143 /nfs/dbraw/zinc/38/01/43/1079380143.db2.gz ULQZNICJPUKCII-NSHDSACASA-N -1 0 402.798 2.081 20 5 HEBDRM COc1ccc(COCCC(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000737319319 1075899281 /nfs/dbraw/zinc/89/92/81/1075899281.db2.gz UXHBCGDKJNBBQK-UHFFFAOYSA-N -1 0 408.432 2.156 20 5 HEBDRM CC(C)(C)OC(=O)NC[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000741258471 1076447054 /nfs/dbraw/zinc/44/70/54/1076447054.db2.gz CQQWKZATQUIROK-LBPRGKRZSA-N -1 0 403.432 2.316 20 5 HEBDRM Cc1cc(C)nc(-n2[n-]c(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc2=O)n1 ZINC000741745517 1076605569 /nfs/dbraw/zinc/60/55/69/1076605569.db2.gz OUJIJHVNHTYPQN-UHFFFAOYSA-N -1 0 416.825 2.406 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000741747803 1076617815 /nfs/dbraw/zinc/61/78/15/1076617815.db2.gz FOYKSUHSMBEVNE-UHFFFAOYSA-N -1 0 401.803 2.407 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742027257 1076723526 /nfs/dbraw/zinc/72/35/26/1076723526.db2.gz OFEAATSCLOAQSF-UHFFFAOYSA-N -1 0 421.403 2.354 20 5 HEBDRM COC(=O)c1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000743046661 1076935662 /nfs/dbraw/zinc/93/56/62/1076935662.db2.gz JIKKHXWOJPUEOF-UHFFFAOYSA-N -1 0 416.209 2.340 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cn1cncn1 ZINC000744001911 1077288727 /nfs/dbraw/zinc/28/87/27/1077288727.db2.gz QKARMBIHMOFYRB-UHFFFAOYSA-N -1 0 421.822 2.007 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)c([N+](=O)[O-])c1 ZINC000744013296 1077305679 /nfs/dbraw/zinc/30/56/79/1077305679.db2.gz XCXGXMCKGHZNRH-WCQYABFASA-N -1 0 412.370 2.490 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c([N+](=O)[O-])c1 ZINC000744013325 1077305784 /nfs/dbraw/zinc/30/57/84/1077305784.db2.gz YCYCHOUOCGZQKW-NWDGAFQWSA-N -1 0 412.370 2.490 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccc(-c2cnn(C)c2)c1 ZINC000744040345 1077311752 /nfs/dbraw/zinc/31/17/52/1077311752.db2.gz IKKHYWVADFKFMS-UHFFFAOYSA-N -1 0 400.416 2.422 20 5 HEBDRM Cc1c(C)c(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)ccc1Br ZINC000744235792 1077347158 /nfs/dbraw/zinc/34/71/58/1077347158.db2.gz WLQKDLNKNSQCCE-UHFFFAOYSA-N -1 0 416.253 2.431 20 5 HEBDRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000744238641 1077347399 /nfs/dbraw/zinc/34/73/99/1077347399.db2.gz JJXMFKOOFMJNJP-UHFFFAOYSA-N -1 0 422.250 2.014 20 5 HEBDRM CCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000744239689 1077347746 /nfs/dbraw/zinc/34/77/46/1077347746.db2.gz WVVCJEVQUDSCER-GFCCVEGCSA-N -1 0 407.452 2.089 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000744289641 1077356478 /nfs/dbraw/zinc/35/64/78/1077356478.db2.gz LWNGPZNNYLSWQW-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000766320416 1077450873 /nfs/dbraw/zinc/45/08/73/1077450873.db2.gz OCOFVYKJHIPKSB-UHFFFAOYSA-N -1 0 419.415 2.453 20 5 HEBDRM COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C)(C)[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000766329680 1077812780 /nfs/dbraw/zinc/81/27/80/1077812780.db2.gz XOJILGLFXAXTBZ-CYBMUJFWSA-N -1 0 415.424 2.037 20 5 HEBDRM COc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1SC ZINC000767495578 1079889313 /nfs/dbraw/zinc/88/93/13/1079889313.db2.gz IHPZRCVHKPTIBS-UHFFFAOYSA-N -1 0 414.465 2.221 20 5 HEBDRM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000767530618 1079923731 /nfs/dbraw/zinc/92/37/31/1079923731.db2.gz QOFYYIPBRQDUBW-UHFFFAOYSA-N -1 0 416.843 2.005 20 5 HEBDRM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000767571991 1079983746 /nfs/dbraw/zinc/98/37/46/1079983746.db2.gz UHZQXICUZDRKDE-UHFFFAOYSA-N -1 0 412.807 2.447 20 5 HEBDRM O=C([O-])c1coc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)c1 ZINC000785702446 1080172981 /nfs/dbraw/zinc/17/29/81/1080172981.db2.gz NZFSVNCCRHRKAW-UHFFFAOYSA-N -1 0 405.182 2.127 20 5 HEBDRM COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](O)[C@@H](C)C1 ZINC000768524110 1080609863 /nfs/dbraw/zinc/60/98/63/1080609863.db2.gz FYJBRRPFPGUJLE-LRDDRELGSA-N -1 0 407.448 2.221 20 5 HEBDRM O=c1[n-]nc([C@@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786550901 1080680597 /nfs/dbraw/zinc/68/05/97/1080680597.db2.gz MFIDKEFVOGODTA-MRVPVSSYSA-N -1 0 404.351 2.064 20 5 HEBDRM COC(=O)c1[nH]c(C)c(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000768760108 1080749038 /nfs/dbraw/zinc/74/90/38/1080749038.db2.gz DWNLXXUNOCALSN-UHFFFAOYSA-N -1 0 415.811 2.098 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN1Cc1ccccc1 ZINC000768807872 1080786092 /nfs/dbraw/zinc/78/60/92/1080786092.db2.gz UGHHXNUABCZNKY-INIZCTEOSA-N -1 0 407.423 2.203 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)ccc1[N+](=O)[O-] ZINC000768783098 1080795873 /nfs/dbraw/zinc/79/58/73/1080795873.db2.gz UDPOCPOLUZUQML-UHFFFAOYSA-N -1 0 403.416 2.252 20 5 HEBDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)[nH]n1 ZINC000768784877 1080796902 /nfs/dbraw/zinc/79/69/02/1080796902.db2.gz CTEZXFQMJHGSRF-UHFFFAOYSA-N -1 0 417.241 2.152 20 5 HEBDRM NC(=O)C1CCN(c2ccc([N-]S(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000768857847 1080808217 /nfs/dbraw/zinc/80/82/17/1080808217.db2.gz KJMKRHYPICWDFC-UHFFFAOYSA-N -1 0 410.477 2.159 20 5 HEBDRM CNc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1[N+](=O)[O-] ZINC000786988669 1080942750 /nfs/dbraw/zinc/94/27/50/1080942750.db2.gz WRYWSRUKMCFIMG-UHFFFAOYSA-N -1 0 418.431 2.030 20 5 HEBDRM O=C([O-])c1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c(=O)c2ccccc21 ZINC000005505767 560598864 /nfs/dbraw/zinc/59/88/64/560598864.db2.gz UXSRKEXBYODSJY-UHFFFAOYSA-N -1 0 402.750 2.295 20 5 HEBDRM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)C(=O)[O-] ZINC000746369699 939063870 /nfs/dbraw/zinc/06/38/70/939063870.db2.gz VZZCRWAPSUTVSB-QGZVFWFLSA-N -1 0 415.381 2.431 20 5 HEBDRM CCO[C@H]1C[C@](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699897 939189181 /nfs/dbraw/zinc/18/91/81/939189181.db2.gz VXRXFXLKNIESTR-KXBFYZLASA-N -1 0 402.407 2.169 20 5 HEBDRM COc1ccc([C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC000583062486 939788641 /nfs/dbraw/zinc/78/86/41/939788641.db2.gz ISERWCZQEDVGCN-QGZVFWFLSA-N -1 0 403.391 2.280 20 5 HEBDRM C[C@@](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)(C(=O)[O-])c1ccccc1 ZINC000610847832 939808364 /nfs/dbraw/zinc/80/83/64/939808364.db2.gz WOFJMEZPKQXQPA-FQEVSTJZSA-N -1 0 413.386 2.399 20 5 HEBDRM C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000611464179 939809070 /nfs/dbraw/zinc/80/90/70/939809070.db2.gz ULQAKPJPWSIQFY-BJOHPYRUSA-N -1 0 423.784 2.448 20 5 HEBDRM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000745491865 1078507238 /nfs/dbraw/zinc/50/72/38/1078507238.db2.gz RGOKDSKNANFOSM-UHFFFAOYSA-N -1 0 409.395 2.476 20 5 HEBDRM COc1cc(C(=O)OCc2csc([N+](=O)[O-])c2)cc([N-]S(C)(=O)=O)c1OC ZINC000745538204 1078528729 /nfs/dbraw/zinc/52/87/29/1078528729.db2.gz WNAAAKHUPROMGV-UHFFFAOYSA-N -1 0 416.433 2.402 20 5 HEBDRM CC[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000769778146 1078552377 /nfs/dbraw/zinc/55/23/77/1078552377.db2.gz XBIJVZNKBKPFQK-ZDUSSCGKSA-N -1 0 415.468 2.320 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccnc1OCC(F)(F)F ZINC000770088745 1078714271 /nfs/dbraw/zinc/71/42/71/1078714271.db2.gz KWRPQPCSUFQVQK-UHFFFAOYSA-N -1 0 405.310 2.050 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1OCC(F)(F)F ZINC000770093209 1078719630 /nfs/dbraw/zinc/71/96/30/1078719630.db2.gz UGRLGPMJQWFGFS-UHFFFAOYSA-N -1 0 419.337 2.191 20 5 HEBDRM C[C@H]1CCCN(c2ccc(C(=O)[N-]S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 ZINC000770114498 1078735392 /nfs/dbraw/zinc/73/53/92/1078735392.db2.gz CECKNTRMERSNRK-AWEZNQCLSA-N -1 0 410.496 2.292 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccnn2C2CCCC2)cc1[N+](=O)[O-] ZINC000766377777 1078945485 /nfs/dbraw/zinc/94/54/85/1078945485.db2.gz LWEDRLKZYZTWIF-UHFFFAOYSA-N -1 0 413.843 2.261 20 5 HEBDRM CC1=NN(c2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000770727634 1078954503 /nfs/dbraw/zinc/95/45/03/1078954503.db2.gz CWAQKZMJPHLBMU-UHFFFAOYSA-N -1 0 406.395 2.439 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000770772749 1078990652 /nfs/dbraw/zinc/99/06/52/1078990652.db2.gz PBPXOKPWYUYCCJ-JTQLQIEISA-N -1 0 414.798 2.444 20 5 HEBDRM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770772853 1078990971 /nfs/dbraw/zinc/99/09/71/1078990971.db2.gz QDLWUPBJMATDHB-IINYFYTJSA-N -1 0 421.406 2.447 20 5 HEBDRM O=C(Cc1csc(-c2ccoc2)n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770773661 1078992143 /nfs/dbraw/zinc/99/21/43/1078992143.db2.gz UISYPCJUBMMWPP-UHFFFAOYSA-N -1 0 411.392 2.498 20 5 HEBDRM CO[C@H](C)c1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000770775278 1078992446 /nfs/dbraw/zinc/99/24/46/1078992446.db2.gz JNJSFEAWEXWHSL-MRVPVSSYSA-N -1 0 403.413 2.325 20 5 HEBDRM COc1ccc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000746458111 1078998578 /nfs/dbraw/zinc/99/85/78/1078998578.db2.gz SLCZWJBENGUCHJ-UHFFFAOYSA-N -1 0 410.795 2.023 20 5 HEBDRM C[S@](=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000770819175 1079031408 /nfs/dbraw/zinc/03/14/08/1079031408.db2.gz OVZBBYOLDWQZMQ-DEOSSOPVSA-N -1 0 402.837 2.104 20 5 HEBDRM C[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(Br)cc1 ZINC000766658130 1079230470 /nfs/dbraw/zinc/23/04/70/1079230470.db2.gz FFKXOAZNDUNDTB-VIFPVBQESA-N -1 0 414.237 2.361 20 5 HEBDRM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000771608266 1079395032 /nfs/dbraw/zinc/39/50/32/1079395032.db2.gz LYKYKHFAPMUDNV-UHFFFAOYSA-N -1 0 423.831 2.144 20 5 HEBDRM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C(=O)[O-] ZINC000766828173 1079413157 /nfs/dbraw/zinc/41/31/57/1079413157.db2.gz YDTNCXVLADOMLN-UHFFFAOYSA-N -1 0 415.402 2.068 20 5 HEBDRM COC(=O)c1c(OC)ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c1OC ZINC000771589130 1079416189 /nfs/dbraw/zinc/41/61/89/1079416189.db2.gz JJMHHUJMBQAJIX-UHFFFAOYSA-N -1 0 414.367 2.339 20 5 HEBDRM CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000737763135 1075930957 /nfs/dbraw/zinc/93/09/57/1075930957.db2.gz JPMMHCQBUIEWED-UHFFFAOYSA-N -1 0 409.376 2.409 20 5 HEBDRM O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737330864 1075930988 /nfs/dbraw/zinc/93/09/88/1075930988.db2.gz QCBAJECJWXXZGK-UHFFFAOYSA-N -1 0 401.853 2.343 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000740531430 1076187958 /nfs/dbraw/zinc/18/79/58/1076187958.db2.gz UBKOERSWDGILKZ-UHFFFAOYSA-N -1 0 415.468 2.402 20 5 HEBDRM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc21 ZINC000742030438 1076725669 /nfs/dbraw/zinc/72/56/69/1076725669.db2.gz CMWUANLDHZZOLB-UHFFFAOYSA-N -1 0 406.395 2.235 20 5 HEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1C(=O)OC ZINC000743266916 1077018585 /nfs/dbraw/zinc/01/85/85/1077018585.db2.gz HLCRFELQDOGLKN-UHFFFAOYSA-N -1 0 412.351 2.108 20 5 HEBDRM CC(C)S(=O)(=O)[N-]C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 ZINC000743495928 1077061488 /nfs/dbraw/zinc/06/14/88/1077061488.db2.gz QQOIWFGEKQLVSV-UHFFFAOYSA-N -1 0 419.459 2.360 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744009031 1077303333 /nfs/dbraw/zinc/30/33/33/1077303333.db2.gz ITFKAMMMTQOOCL-JKSUJKDBSA-N -1 0 418.427 2.116 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000744039803 1077310995 /nfs/dbraw/zinc/31/09/95/1077310995.db2.gz GXXHMJRPOISXAC-UHFFFAOYSA-N -1 0 408.432 2.437 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)c1ccnc(OCC(F)(F)F)c1 ZINC000744130913 1077326142 /nfs/dbraw/zinc/32/61/42/1077326142.db2.gz AFPJVNTWCOHQGP-UHFFFAOYSA-N -1 0 411.339 2.111 20 5 HEBDRM CC(C)=CC(=O)NCc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)cc1 ZINC000744131735 1077326526 /nfs/dbraw/zinc/32/65/26/1077326526.db2.gz FYGXRBZJCABXKO-UHFFFAOYSA-N -1 0 423.472 2.357 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccnc(OCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000744150518 1077331812 /nfs/dbraw/zinc/33/18/12/1077331812.db2.gz CTGASSFYFGNGFQ-UHFFFAOYSA-N -1 0 419.337 2.358 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3cnn(C)c3)c2)ccc1[N+](=O)[O-] ZINC000744153213 1077333184 /nfs/dbraw/zinc/33/31/84/1077333184.db2.gz XFWDQHATAGYJGT-UHFFFAOYSA-N -1 0 400.416 2.422 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000744257539 1077351812 /nfs/dbraw/zinc/35/18/12/1077351812.db2.gz PZQSRZDNNZVDIW-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM COc1ccccc1-n1cc(S(=O)(=O)[N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)cn1 ZINC000744292887 1077358009 /nfs/dbraw/zinc/35/80/09/1077358009.db2.gz VMBIUTXFLSMDSS-UHFFFAOYSA-N -1 0 416.415 2.216 20 5 HEBDRM CCOc1cc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000744301135 1077364981 /nfs/dbraw/zinc/36/49/81/1077364981.db2.gz SYHSUEXPBAWFIW-UHFFFAOYSA-N -1 0 424.431 2.141 20 5 HEBDRM CC(=O)c1cccc(O[C@H](C)C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000745313588 1077806453 /nfs/dbraw/zinc/80/64/53/1077806453.db2.gz RTUIECIEGDFQPE-LLVKDONJSA-N -1 0 410.379 2.209 20 5 HEBDRM O=C([O-])[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Cc1ccccc1 ZINC000767132389 1079696102 /nfs/dbraw/zinc/69/61/02/1079696102.db2.gz HOBRYPWLKSYLFO-MRXNPFEDSA-N -1 0 413.430 2.105 20 5 HEBDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000767495429 1079889334 /nfs/dbraw/zinc/88/93/34/1079889334.db2.gz GWJWIAQEHGVNOT-UHFFFAOYSA-N -1 0 417.241 2.253 20 5 HEBDRM CO[C@@H]1CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(N)cc2Cl)C1 ZINC000796727666 1080082187 /nfs/dbraw/zinc/08/21/87/1080082187.db2.gz SMRWNPGBAZGIDA-VHSXEESVSA-N -1 0 405.860 2.231 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(-c2ccccc2)n1 ZINC000772675761 1080369401 /nfs/dbraw/zinc/36/94/01/1080369401.db2.gz YRZGRCMVIUXROB-UHFFFAOYSA-N -1 0 404.379 2.253 20 5 HEBDRM COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000768213290 1080417122 /nfs/dbraw/zinc/41/71/22/1080417122.db2.gz SPTKCGJHWBPMKH-UHFFFAOYSA-N -1 0 423.447 2.061 20 5 HEBDRM O=c1[n-]nc([C@H]2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])C2)o1 ZINC000786550905 1080680532 /nfs/dbraw/zinc/68/05/32/1080680532.db2.gz MFIDKEFVOGODTA-QMMMGPOBSA-N -1 0 404.351 2.064 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000768775515 1080791067 /nfs/dbraw/zinc/79/10/67/1080791067.db2.gz AQGNUVYNCHPSBD-GOSISDBHSA-N -1 0 421.450 2.345 20 5 HEBDRM O=C([O-])c1ccccc1OCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000768776502 1080791994 /nfs/dbraw/zinc/79/19/94/1080791994.db2.gz PCVWSWSVTQYIPI-UHFFFAOYSA-N -1 0 405.432 2.191 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cn(C)nc2-c2cccs2)c([N+](=O)[O-])c1 ZINC000768775796 1080792477 /nfs/dbraw/zinc/79/24/77/1080792477.db2.gz CGUWEXPMTZVXIZ-UHFFFAOYSA-N -1 0 422.444 2.184 20 5 HEBDRM Cc1cccnc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786841 1080798232 /nfs/dbraw/zinc/79/82/32/1080798232.db2.gz USUKUCPOAZWMKP-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM C[C@@]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000768844991 1080821931 /nfs/dbraw/zinc/82/19/31/1080821931.db2.gz BUDXHFMQXSCVEX-ZDUSSCGKSA-N -1 0 423.394 2.354 20 5 HEBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)N1CCC[C@@H](O)C1 ZINC000768866732 1080824197 /nfs/dbraw/zinc/82/41/97/1080824197.db2.gz BEYGFACVVMUOHU-LLVKDONJSA-N -1 0 411.461 2.054 20 5 HEBDRM O=C(c1ccccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)N1CCC[C@H](O)C1 ZINC000768866734 1080824297 /nfs/dbraw/zinc/82/42/97/1080824297.db2.gz BEYGFACVVMUOHU-NSHDSACASA-N -1 0 411.461 2.054 20 5 HEBDRM Cc1ccc(CNC(=O)c2c[nH]nc2[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768867980 1080824804 /nfs/dbraw/zinc/82/48/04/1080824804.db2.gz ZHIRJUGHRWHIGS-UHFFFAOYSA-N -1 0 421.460 2.419 20 5 HEBDRM O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769300846 1081035058 /nfs/dbraw/zinc/03/50/58/1081035058.db2.gz TYIPCHFUMPEBIP-UHFFFAOYSA-N -1 0 401.404 2.463 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCCOC1 ZINC000762252739 939073920 /nfs/dbraw/zinc/07/39/20/939073920.db2.gz KWPJAXZUNANDQK-KRTXAFLBSA-N -1 0 405.176 2.106 20 5 HEBDRM COc1cc(CCNC(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000780360529 939109850 /nfs/dbraw/zinc/10/98/50/939109850.db2.gz GITRZGKUGVNAHB-QGZVFWFLSA-N -1 0 409.439 2.487 20 5 HEBDRM Cc1cc(C(=O)NCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000431769502 939153216 /nfs/dbraw/zinc/15/32/16/939153216.db2.gz BZTLSTRELYEHIM-INIZCTEOSA-N -1 0 423.784 2.368 20 5 HEBDRM CCO[C@H]1C[C@@](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)(C(=O)[O-])C1(C)C ZINC000439699896 939189249 /nfs/dbraw/zinc/18/92/49/939189249.db2.gz VXRXFXLKNIESTR-HNAYVOBHSA-N -1 0 402.407 2.169 20 5 HEBDRM CCO[C@@H]1C[C@@](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)(C(=O)[O-])C1(C)C ZINC000439701095 939189822 /nfs/dbraw/zinc/18/98/22/939189822.db2.gz VKPXFLKFYWWRBV-AUUYWEPGSA-N -1 0 403.391 2.237 20 5 HEBDRM COc1ccc([C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C(=O)[O-])c(OC)c1 ZINC000573673479 939720490 /nfs/dbraw/zinc/72/04/90/939720490.db2.gz KVICRWPBILMLPO-KRWDZBQOSA-N -1 0 419.390 2.116 20 5 HEBDRM C[C@](NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000610847822 939808278 /nfs/dbraw/zinc/80/82/78/939808278.db2.gz VGKAKRLWDCRZPS-GOSISDBHSA-N -1 0 405.794 2.094 20 5 HEBDRM C[C@@H](CCOc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000745950236 1078706078 /nfs/dbraw/zinc/70/60/78/1078706078.db2.gz JFXWIXVGMBVKHJ-LBPRGKRZSA-N -1 0 423.403 2.413 20 5 HEBDRM CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000770123337 1078739810 /nfs/dbraw/zinc/73/98/10/1078739810.db2.gz DJVVFVCRTDHUEU-ZIAGYGMSSA-N -1 0 412.512 2.392 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)c(C)s1 ZINC000746430340 1078928789 /nfs/dbraw/zinc/92/87/89/1078928789.db2.gz NMRVGBRDSYRIPQ-UHFFFAOYSA-N -1 0 421.460 2.281 20 5 HEBDRM CCOc1ccc(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cc1[N+](=O)[O-] ZINC000746449376 1078972431 /nfs/dbraw/zinc/97/24/31/1078972431.db2.gz GBRJIPDAVBWZJH-UHFFFAOYSA-N -1 0 424.822 2.413 20 5 HEBDRM COc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1OC(F)F ZINC000770774230 1078991090 /nfs/dbraw/zinc/99/10/90/1078991090.db2.gz XVHXKYPOEPJKFY-UHFFFAOYSA-N -1 0 420.321 2.463 20 5 HEBDRM CC(C)n1nccc1C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770749779 1079005538 /nfs/dbraw/zinc/00/55/38/1079005538.db2.gz XRKZVUFPYXLMAO-UHFFFAOYSA-N -1 0 417.241 2.253 20 5 HEBDRM Cc1nc(-c2ncccn2)sc1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770777641 1079009957 /nfs/dbraw/zinc/00/99/57/1079009957.db2.gz XLBXGONFDIFYHK-UHFFFAOYSA-N -1 0 423.407 2.075 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000770805722 1079027492 /nfs/dbraw/zinc/02/74/92/1079027492.db2.gz CVAXMHWZLTTZBQ-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000766836607 1079420313 /nfs/dbraw/zinc/42/03/13/1079420313.db2.gz AFGJADZKYCQAGF-IUODEOHRSA-N -1 0 400.453 2.394 20 5 HEBDRM CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000766853466 1079439677 /nfs/dbraw/zinc/43/96/77/1079439677.db2.gz CAYLLIVHQIDEFW-BXUZGUMPSA-N -1 0 415.424 2.293 20 5 HEBDRM O=C(Cn1c2ccccc2c(=O)c2ccccc21)[N-]S(=O)(=O)Cc1cccnc1 ZINC000766908034 1079501912 /nfs/dbraw/zinc/50/19/12/1079501912.db2.gz GNIHLCKPYGRCFF-UHFFFAOYSA-N -1 0 407.451 2.196 20 5 HEBDRM CC(C)(C)OC(=O)NC(C)(C)CC(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000740531245 1076187335 /nfs/dbraw/zinc/18/73/35/1076187335.db2.gz OBDPJNMVCCEDDV-UHFFFAOYSA-N -1 0 419.431 2.232 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)C[C@H]2C(=O)Nc3ccccc32)cc1[N+](=O)[O-] ZINC000741110195 1076363164 /nfs/dbraw/zinc/36/31/64/1076363164.db2.gz OTYPUIFSIATAFO-GFCCVEGCSA-N -1 0 423.834 2.488 20 5 HEBDRM Cc1noc(C(C)C)c1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000741747831 1076618138 /nfs/dbraw/zinc/61/81/38/1076618138.db2.gz GTVZPTBUSLCLKU-UHFFFAOYSA-N -1 0 402.816 2.369 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000741751150 1076619043 /nfs/dbraw/zinc/61/90/43/1076619043.db2.gz ZWAWNCNSWLJUSA-UHFFFAOYSA-N -1 0 413.839 2.242 20 5 HEBDRM O=C(CC[C@@H]1CCCO1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000741750933 1076619061 /nfs/dbraw/zinc/61/90/61/1076619061.db2.gz IOBCWVZKHVZKNY-JTQLQIEISA-N -1 0 407.242 2.121 20 5 HEBDRM COc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 ZINC000741752080 1076619597 /nfs/dbraw/zinc/61/95/97/1076619597.db2.gz RCXOSWFDQYFCKZ-UHFFFAOYSA-N -1 0 415.221 2.485 20 5 HEBDRM CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3[N+](=O)[O-])cc21 ZINC000742231339 1076802465 /nfs/dbraw/zinc/80/24/65/1076802465.db2.gz SKZIMWVYAUOOFH-UHFFFAOYSA-N -1 0 420.447 2.496 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000743262574 1077017457 /nfs/dbraw/zinc/01/74/57/1077017457.db2.gz QPZSXZUHOXXSDB-UHFFFAOYSA-N -1 0 410.799 2.033 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000743266122 1077019295 /nfs/dbraw/zinc/01/92/95/1077019295.db2.gz GZVAWIDOHGPXCT-UHFFFAOYSA-N -1 0 411.348 2.099 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1N1CCOC1=O ZINC000743266115 1077019338 /nfs/dbraw/zinc/01/93/38/1077019338.db2.gz GLWXDGRWKBIEDH-UHFFFAOYSA-N -1 0 411.367 2.500 20 5 HEBDRM CC(C)c1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000744009132 1077303276 /nfs/dbraw/zinc/30/32/76/1077303276.db2.gz NOGJJNZOLSGXFJ-UHFFFAOYSA-N -1 0 400.844 2.365 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000744009249 1077303391 /nfs/dbraw/zinc/30/33/91/1077303391.db2.gz NZHOOLPWJJFASQ-UHFFFAOYSA-N -1 0 408.432 2.270 20 5 HEBDRM CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000744013387 1077305475 /nfs/dbraw/zinc/30/54/75/1077305475.db2.gz XWDDZJQJFVPCBI-UHFFFAOYSA-N -1 0 405.860 2.058 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744041396 1077312015 /nfs/dbraw/zinc/31/20/15/1077312015.db2.gz TYHJFODAWODNOV-LSDHHAIUSA-N -1 0 418.427 2.283 20 5 HEBDRM CSc1nc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccn21 ZINC000744152780 1077332652 /nfs/dbraw/zinc/33/26/52/1077332652.db2.gz QNKRCFCTELCRNM-UHFFFAOYSA-N -1 0 406.445 2.392 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cc([N+](=O)[O-])c1 ZINC000744256471 1077350955 /nfs/dbraw/zinc/35/09/55/1077350955.db2.gz GVXFRQYJQPFYJY-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM COC(=O)C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c2ccccc21 ZINC000766320541 1077449000 /nfs/dbraw/zinc/44/90/00/1077449000.db2.gz JPQUFLNLMKMQKW-GFCCVEGCSA-N -1 0 406.416 2.464 20 5 HEBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(C)c1 ZINC000767250973 1079777736 /nfs/dbraw/zinc/77/77/36/1079777736.db2.gz SEFIYFVXEUXRTK-CQSZACIVSA-N -1 0 400.359 2.374 20 5 HEBDRM O=C(CCc1cc2ccccc2[nH]c1=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000767452199 1079878035 /nfs/dbraw/zinc/87/80/35/1079878035.db2.gz DBZSJYFSTKMIKW-UHFFFAOYSA-N -1 0 407.429 2.348 20 5 HEBDRM COCCOCCS(=O)(=O)[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000768231150 1080433392 /nfs/dbraw/zinc/43/33/92/1080433392.db2.gz RXWKZPJSIQVCPQ-UHFFFAOYSA-N -1 0 424.431 2.110 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)Cc2cccc(N3CCCC3=O)c2)ccc1[N+](=O)[O-] ZINC000786420211 1080593064 /nfs/dbraw/zinc/59/30/64/1080593064.db2.gz JWWQMDVFHZUUIH-UHFFFAOYSA-N -1 0 417.443 2.078 20 5 HEBDRM Cc1c(Cl)cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3ccnc3)nc2)cc1[N+](=O)[O-] ZINC000786446413 1080632684 /nfs/dbraw/zinc/63/26/84/1080632684.db2.gz XGGMDWSXAJADBL-UHFFFAOYSA-N -1 0 421.822 2.256 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc(C)c1F ZINC000786497655 1080657686 /nfs/dbraw/zinc/65/76/86/1080657686.db2.gz OGTHYFSVQVMEFD-UHFFFAOYSA-N -1 0 419.394 2.050 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1csc(-c2ccccn2)n1 ZINC000768807006 1080784772 /nfs/dbraw/zinc/78/47/72/1080784772.db2.gz JOXDBLCQHJEXOH-UHFFFAOYSA-N -1 0 408.392 2.371 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000768775526 1080791197 /nfs/dbraw/zinc/79/11/97/1080791197.db2.gz AQGNUVYNCHPSBD-SFHVURJKSA-N -1 0 421.450 2.345 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2cccs2)n1 ZINC000768780014 1080794225 /nfs/dbraw/zinc/79/42/25/1080794225.db2.gz JPYVKQJKVULMNY-UHFFFAOYSA-N -1 0 410.408 2.315 20 5 HEBDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768785427 1080796839 /nfs/dbraw/zinc/79/68/39/1080796839.db2.gz TXRKEFCTPVJLHE-SECBINFHSA-N -1 0 409.258 2.367 20 5 HEBDRM COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768883431 1080831142 /nfs/dbraw/zinc/83/11/42/1080831142.db2.gz ZPXDQZXDNKRFBS-XMMPIXPASA-N -1 0 404.491 2.352 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000787015488 1080932382 /nfs/dbraw/zinc/93/23/82/1080932382.db2.gz AXVWEPHXQPGMEL-WTKPLQERSA-N -1 0 424.406 2.277 20 5 HEBDRM O=C(CCC(=O)c1ccc(Cl)cn1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000769309345 1081038515 /nfs/dbraw/zinc/03/85/15/1081038515.db2.gz JZOPGVUOFVXIOI-UHFFFAOYSA-N -1 0 415.786 2.250 20 5 HEBDRM O=C([O-])c1nn(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(=O)c2ccccc21 ZINC000005017883 559228707 /nfs/dbraw/zinc/22/87/07/559228707.db2.gz YSOKNTSEPGVFHT-UHFFFAOYSA-N -1 0 402.750 2.295 20 5 HEBDRM COc1ccccc1OCCNC(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000749107781 939065267 /nfs/dbraw/zinc/06/52/67/939065267.db2.gz VDNHNUPGNUXHMD-IBGZPJMESA-N -1 0 403.391 2.281 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cc(F)ccc1F ZINC000766955848 939078252 /nfs/dbraw/zinc/07/82/52/939078252.db2.gz YNUBEPGKVATTFE-HNNXBMFYSA-N -1 0 403.301 2.009 20 5 HEBDRM C[C@@H]1CCCN(c2ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)cc2[N+](=O)[O-])C1 ZINC000432124521 939180990 /nfs/dbraw/zinc/18/09/90/939180990.db2.gz ZPKRFHXGGJOTDW-DDUZABMNSA-N -1 0 405.451 2.441 20 5 HEBDRM CCO[C@H]1C[C@](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)(C(=O)[O-])C1(C)C ZINC000439698151 939188190 /nfs/dbraw/zinc/18/81/90/939188190.db2.gz RJSZANZRZKJKNQ-KXBFYZLASA-N -1 0 402.407 2.169 20 5 HEBDRM CCO[C@H]1C[C@](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)(C(=O)[O-])C1(C)C ZINC000439698115 939188218 /nfs/dbraw/zinc/18/82/18/939188218.db2.gz XANKNGLOXXFECI-KXBFYZLASA-N -1 0 402.407 2.169 20 5 HEBDRM COc1ccc(OCCNC(=O)N[C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)cc1 ZINC000604534253 939807448 /nfs/dbraw/zinc/80/74/48/939807448.db2.gz JQDBQBMNUZBTCW-LJQANCHMSA-N -1 0 403.391 2.281 20 5 HEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000611464200 939809121 /nfs/dbraw/zinc/80/91/21/939809121.db2.gz CLCMVCNNUWNMAI-MEBBXXQBSA-N -1 0 405.794 2.309 20 5 HEBDRM O=C(Cc1ccn(-c2ccc(F)cc2)n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770728482 1078953945 /nfs/dbraw/zinc/95/39/45/1078953945.db2.gz QTOOLXVXEAORNT-UHFFFAOYSA-N -1 0 422.369 2.106 20 5 HEBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000746452033 1078976478 /nfs/dbraw/zinc/97/64/78/1078976478.db2.gz YPYZMUULBDNXPD-TWGQIWQCSA-N -1 0 406.807 2.414 20 5 HEBDRM O=C(Cc1coc(-c2cccs2)n1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000770766021 1078985460 /nfs/dbraw/zinc/98/54/60/1078985460.db2.gz JWSKIRACQYEBEZ-UHFFFAOYSA-N -1 0 411.392 2.498 20 5 HEBDRM Cc1ccnn1-c1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000770774254 1078991032 /nfs/dbraw/zinc/99/10/32/1078991032.db2.gz YFIATSWJULQLIM-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM CCCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000770746709 1079003215 /nfs/dbraw/zinc/00/32/15/1079003215.db2.gz MEYLGPNIJNQNEZ-SECBINFHSA-N -1 0 409.258 2.367 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c(C)n1C ZINC000770747560 1079003889 /nfs/dbraw/zinc/00/38/89/1079003889.db2.gz PNLFTIUKACIKTP-UHFFFAOYSA-N -1 0 416.253 2.431 20 5 HEBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])NS(=O)(=O)c1cccnc1Cl ZINC000770856822 1079041361 /nfs/dbraw/zinc/04/13/61/1079041361.db2.gz NHXNLSJBHCDTAY-SECBINFHSA-N -1 0 414.827 2.044 20 5 HEBDRM Cc1cn(-c2ccccc2)nc1C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000770841226 1079055565 /nfs/dbraw/zinc/05/55/65/1079055565.db2.gz LLUWZUBDGBIDKB-UHFFFAOYSA-N -1 0 404.379 2.347 20 5 HEBDRM O=C(/C=C/c1ccnc(Cl)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000771280028 1079265627 /nfs/dbraw/zinc/26/56/27/1079265627.db2.gz LLYIFEGZIKSELQ-DAFODLJHSA-N -1 0 412.767 2.070 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)Cc2csc(-c3ccoc3)n2)c([N+](=O)[O-])c1 ZINC000739140190 1076049785 /nfs/dbraw/zinc/04/97/85/1076049785.db2.gz PSNIMQIBWHJOOE-UHFFFAOYSA-N -1 0 423.428 2.368 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000740524759 1076205578 /nfs/dbraw/zinc/20/55/78/1076205578.db2.gz FAPBBCMQGUTYKR-UHFFFAOYSA-N -1 0 408.432 2.395 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000740528251 1076206325 /nfs/dbraw/zinc/20/63/25/1076206325.db2.gz FLGOEOWRAVMDMQ-UHFFFAOYSA-N -1 0 423.403 2.294 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)cc1[N+](=O)[O-] ZINC000742028541 1076723008 /nfs/dbraw/zinc/72/30/08/1076723008.db2.gz RODLZEMUYLDMPR-UHFFFAOYSA-N -1 0 402.425 2.388 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000742028598 1076723479 /nfs/dbraw/zinc/72/34/79/1076723479.db2.gz VXTYXKLTFZDUJV-UHFFFAOYSA-N -1 0 402.425 2.388 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2N2C(=O)CCC2=O)cc1[N+](=O)[O-] ZINC000742029880 1076725281 /nfs/dbraw/zinc/72/52/81/1076725281.db2.gz NTNMQEKRTGRKKM-UHFFFAOYSA-N -1 0 407.379 2.497 20 5 HEBDRM COc1ccc(Br)cc1C(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000744002042 1077288850 /nfs/dbraw/zinc/28/88/50/1077288850.db2.gz USAWUXXPVXYRQW-UHFFFAOYSA-N -1 0 415.221 2.485 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccnc(OCC(F)(F)F)c1 ZINC000744003555 1077299356 /nfs/dbraw/zinc/29/93/56/1077299356.db2.gz QYMVPHCQAUXEEU-UHFFFAOYSA-N -1 0 405.310 2.050 20 5 HEBDRM CC(C)C(=O)N(C)Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000744004188 1077300183 /nfs/dbraw/zinc/30/01/83/1077300183.db2.gz WZKKHMFOOSOKPO-UHFFFAOYSA-N -1 0 419.459 2.328 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000744150839 1077331725 /nfs/dbraw/zinc/33/17/25/1077331725.db2.gz FUTDVZQSXDIBMA-UHFFFAOYSA-N -1 0 408.432 2.437 20 5 HEBDRM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000744938040 1077680055 /nfs/dbraw/zinc/68/00/55/1077680055.db2.gz IEWJKNMZGPLYPH-MRVPVSSYSA-N -1 0 404.322 2.285 20 5 HEBDRM CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)Cc3cccnc3)cc2[N+](=O)[O-])CC1 ZINC000766905113 1079516065 /nfs/dbraw/zinc/51/60/65/1079516065.db2.gz XMMDZUJUVKUBRW-UHFFFAOYSA-N -1 0 418.475 2.486 20 5 HEBDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000767496378 1079890483 /nfs/dbraw/zinc/89/04/83/1079890483.db2.gz ORTYUCZVCQMUMA-UHFFFAOYSA-N -1 0 424.482 2.437 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000772649978 1080012080 /nfs/dbraw/zinc/01/20/80/1080012080.db2.gz JUTQIVFKXVGYHA-UHFFFAOYSA-N -1 0 404.379 2.253 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)=O)cc1 ZINC000785509796 1080058858 /nfs/dbraw/zinc/05/88/58/1080058858.db2.gz RMWJJMUILDTEAO-UHFFFAOYSA-N -1 0 408.388 2.150 20 5 HEBDRM O=C([O-])c1coc(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000785703540 1080213598 /nfs/dbraw/zinc/21/35/98/1080213598.db2.gz VUBRUIFAZFGRIO-UHFFFAOYSA-N -1 0 405.182 2.127 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(COC2CCOCC2)c1 ZINC000768165198 1080380559 /nfs/dbraw/zinc/38/05/59/1080380559.db2.gz PZNGVGLSWJDXKW-UHFFFAOYSA-N -1 0 420.443 2.409 20 5 HEBDRM COC(=O)CCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])c1 ZINC000786097167 1080393473 /nfs/dbraw/zinc/39/34/73/1080393473.db2.gz CLTSTHBPBQHIRQ-UHFFFAOYSA-N -1 0 422.415 2.288 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc([N+](=O)[O-])c1F ZINC000768263856 1080448443 /nfs/dbraw/zinc/44/84/43/1080448443.db2.gz XVJGFMGXENEVKW-UHFFFAOYSA-N -1 0 417.440 2.093 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc3ccc(Br)cn3n2)cs1 ZINC000786184157 1080463279 /nfs/dbraw/zinc/46/32/79/1080463279.db2.gz VBWHDYNXZZSMFR-UHFFFAOYSA-N -1 0 404.227 2.262 20 5 HEBDRM CC(C)(C)n1nccc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000786186957 1080463910 /nfs/dbraw/zinc/46/39/10/1080463910.db2.gz TVJLQCQKLQFMDV-UHFFFAOYSA-N -1 0 409.424 2.304 20 5 HEBDRM Cn1cc(C(=O)[N-]S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)c(-c2cccs2)n1 ZINC000768807885 1080786128 /nfs/dbraw/zinc/78/61/28/1080786128.db2.gz UQTVRSKIVMCELS-UHFFFAOYSA-N -1 0 420.472 2.359 20 5 HEBDRM Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)n1C ZINC000768785757 1080797720 /nfs/dbraw/zinc/79/77/20/1080797720.db2.gz KRVXNDYDDAPXDI-UHFFFAOYSA-N -1 0 402.226 2.123 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000786776059 1080817200 /nfs/dbraw/zinc/81/72/00/1080817200.db2.gz FTKOSOHAPUCPSV-CABZTGNLSA-N -1 0 405.329 2.168 20 5 HEBDRM Cc1cc(C(=O)N2CCOCC2)ccc1[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768888327 1080833322 /nfs/dbraw/zinc/83/33/22/1080833322.db2.gz MMZJXZSEMBPXLB-UHFFFAOYSA-N -1 0 411.461 2.238 20 5 HEBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cs1 ZINC000768889862 1080835065 /nfs/dbraw/zinc/83/50/65/1080835065.db2.gz SWQLMQCOSRPEBM-UHFFFAOYSA-N -1 0 421.453 2.037 20 5 HEBDRM CC(=O)N1CCc2c1cccc2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000768900153 1080839335 /nfs/dbraw/zinc/83/93/35/1080839335.db2.gz MPRJNPFHYZQQMM-UHFFFAOYSA-N -1 0 406.376 2.213 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000787011292 1080929516 /nfs/dbraw/zinc/92/95/16/1080929516.db2.gz REDCWYYGLFNOQZ-UHFFFAOYSA-N -1 0 416.358 2.017 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000786985962 1080941151 /nfs/dbraw/zinc/94/11/51/1080941151.db2.gz CTURBNMSKRBGDD-UHFFFAOYSA-N -1 0 403.416 2.297 20 5 HEBDRM COc1ccc(C(=O)NCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cc1[N+](=O)[O-] ZINC000769242290 1081014781 /nfs/dbraw/zinc/01/47/81/1081014781.db2.gz OCMCBAAFGBMZMH-UHFFFAOYSA-N -1 0 402.388 2.402 20 5 HEBDRM CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cn21 ZINC000769279383 1081029764 /nfs/dbraw/zinc/02/97/64/1081029764.db2.gz UMSBGDNBOYRBHU-UHFFFAOYSA-N -1 0 403.420 2.054 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc3nnc(C(C)(C)C)n3c2)ccc1[N+](=O)[O-] ZINC000769296809 1081032833 /nfs/dbraw/zinc/03/28/33/1081032833.db2.gz BYSJLZNVJGJUKT-UHFFFAOYSA-N -1 0 417.447 2.362 20 5 HEBDRM O=C([O-])[C@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000432131638 939182451 /nfs/dbraw/zinc/18/24/51/939182451.db2.gz VDGAFCAGLMJLCI-MEBBXXQBSA-N -1 0 419.356 2.412 20 5 HEBDRM O=C([O-])[C@@H](NC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000432131636 939182530 /nfs/dbraw/zinc/18/25/30/939182530.db2.gz VDGAFCAGLMJLCI-BMIGLBTASA-N -1 0 419.356 2.412 20 5 HEBDRM CCO[C@H]1C[C@](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)(C(=O)[O-])C1(C)C ZINC000439722675 939202412 /nfs/dbraw/zinc/20/24/12/939202412.db2.gz VTADAUSGQSLYDI-KXBFYZLASA-N -1 0 402.407 2.169 20 5 HEBDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770129846 1078741893 /nfs/dbraw/zinc/74/18/93/1078741893.db2.gz OQXOKCHOMYOCNV-MJBXVCDLSA-N -1 0 413.496 2.172 20 5 HEBDRM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000770129842 1078741912 /nfs/dbraw/zinc/74/19/12/1078741912.db2.gz OQXOKCHOMYOCNV-IHRRRGAJSA-N -1 0 413.496 2.172 20 5 HEBDRM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000770149256 1078748282 /nfs/dbraw/zinc/74/82/82/1078748282.db2.gz LKBJTIOKHHQUPK-ZIAGYGMSSA-N -1 0 412.512 2.394 20 5 HEBDRM CSc1nc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ccccn21 ZINC000770727672 1078954557 /nfs/dbraw/zinc/95/45/57/1078954557.db2.gz ICTGEWDUAARHSH-UHFFFAOYSA-N -1 0 410.408 2.222 20 5 HEBDRM Cc1cc(C(=O)[N-]S(=O)(=O)CCC(=O)OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000770736115 1078996058 /nfs/dbraw/zinc/99/60/58/1078996058.db2.gz PWTNTPUOYVXNQA-UHFFFAOYSA-N -1 0 406.416 2.096 20 5 HEBDRM CSc1ncc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000770776914 1079009224 /nfs/dbraw/zinc/00/92/24/1079009224.db2.gz WWNCIQFZHQFXRJ-UHFFFAOYSA-N -1 0 406.804 2.018 20 5 HEBDRM CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)[nH]n1 ZINC000770748719 1079004627 /nfs/dbraw/zinc/00/46/27/1079004627.db2.gz UDTWDYGFKLYLCG-UHFFFAOYSA-N -1 0 417.241 2.152 20 5 HEBDRM Cc1cc2c(cc1C)[C@@H](C(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)CO2 ZINC000770888976 1079064314 /nfs/dbraw/zinc/06/43/14/1079064314.db2.gz DEZGFLCHCFVWRZ-KRWDZBQOSA-N -1 0 404.444 2.376 20 5 HEBDRM CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc2)n[nH]1 ZINC000770907937 1079073847 /nfs/dbraw/zinc/07/38/47/1079073847.db2.gz BQJAHXVCZSETIQ-UHFFFAOYSA-N -1 0 419.394 2.200 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](CO)C1CC1 ZINC000771003685 1079100464 /nfs/dbraw/zinc/10/04/64/1079100464.db2.gz NFXQWQASYWAAFB-QGZVFWFLSA-N -1 0 419.459 2.205 20 5 HEBDRM CCc1cccnc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000766654316 1079221504 /nfs/dbraw/zinc/22/15/04/1079221504.db2.gz UGPWLBDNYXWKMI-UHFFFAOYSA-N -1 0 414.237 2.433 20 5 HEBDRM O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000766679612 1079252616 /nfs/dbraw/zinc/25/26/16/1079252616.db2.gz XMSAPIRPETVJFH-UHFFFAOYSA-N -1 0 406.342 2.183 20 5 HEBDRM O=C([N-]S(=O)(=O)CCCC(F)(F)F)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000766689792 1079280804 /nfs/dbraw/zinc/28/08/04/1079280804.db2.gz XDMSYLKBMHVXEO-UHFFFAOYSA-N -1 0 406.342 2.183 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2cnccn2)c1 ZINC000737317939 1075899037 /nfs/dbraw/zinc/89/90/37/1075899037.db2.gz HHXVNIACKNOJEW-UHFFFAOYSA-N -1 0 414.399 2.437 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1OC ZINC000737315217 1075906759 /nfs/dbraw/zinc/90/67/59/1075906759.db2.gz PQHMVYOIHUKSOO-UHFFFAOYSA-N -1 0 400.796 2.384 20 5 HEBDRM COCC[S@](=O)Cc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000766894680 1079499536 /nfs/dbraw/zinc/49/95/36/1079499536.db2.gz ZFVYMQOBSIREEY-NDEPHWFRSA-N -1 0 406.416 2.440 20 5 HEBDRM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)c1ccccc1F ZINC000771779880 1079501696 /nfs/dbraw/zinc/50/16/96/1079501696.db2.gz IIWFNENQRVHELW-OAHLLOKOSA-N -1 0 400.359 2.374 20 5 HEBDRM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)c1cccc(OCC(F)(F)F)n1 ZINC000740530828 1076187436 /nfs/dbraw/zinc/18/74/36/1076187436.db2.gz DERFMXKOHMHDQT-UHFFFAOYSA-N -1 0 419.337 2.358 20 5 HEBDRM COc1ccccc1-c1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000741118429 1076378753 /nfs/dbraw/zinc/37/87/53/1076378753.db2.gz INPPTJSGQIPNCV-UHFFFAOYSA-N -1 0 422.444 2.184 20 5 HEBDRM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(OC)c(OC)c1 ZINC000741657960 1076579932 /nfs/dbraw/zinc/57/99/32/1076579932.db2.gz JPNHGFQDSSZCTB-UHFFFAOYSA-N -1 0 414.367 2.339 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000742027829 1076722423 /nfs/dbraw/zinc/72/24/23/1076722423.db2.gz WIRQFJZTSPJVDR-UHFFFAOYSA-N -1 0 403.413 2.215 20 5 HEBDRM CNC(=O)Cn1ccc2ccc([N-]S(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc21 ZINC000742031064 1076726778 /nfs/dbraw/zinc/72/67/78/1076726778.db2.gz UGCFAPUCRKNVOG-UHFFFAOYSA-N -1 0 406.395 2.235 20 5 HEBDRM O=C1NCCCN1c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000743263925 1077017701 /nfs/dbraw/zinc/01/77/01/1077017701.db2.gz LXXHZXCODIFWOY-UHFFFAOYSA-N -1 0 421.391 2.224 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccnc(OCC(F)(F)F)c1 ZINC000744041404 1077312023 /nfs/dbraw/zinc/31/20/23/1077312023.db2.gz UJNQGPCJLJOUGY-UHFFFAOYSA-N -1 0 423.300 2.189 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000744041639 1077312076 /nfs/dbraw/zinc/31/20/76/1077312076.db2.gz WBXZTGGSJLOION-UHFFFAOYSA-N -1 0 412.395 2.268 20 5 HEBDRM CCO[C@H](C)c1ncc(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000744040922 1077312098 /nfs/dbraw/zinc/31/20/98/1077312098.db2.gz OHIIFEKLRDSNPH-MRVPVSSYSA-N -1 0 403.413 2.407 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1SCCc2ccccc21 ZINC000744086624 1077316089 /nfs/dbraw/zinc/31/60/89/1077316089.db2.gz QPYBXOBTZVJFKU-OAHLLOKOSA-N -1 0 423.428 2.339 20 5 HEBDRM O=C(Cc1ccc(NC(=O)C2CC2)cc1)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000744131411 1077326749 /nfs/dbraw/zinc/32/67/49/1077326749.db2.gz DWCRMZKYFMLSIW-UHFFFAOYSA-N -1 0 409.445 2.052 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1cccnc1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000766903488 1079514487 /nfs/dbraw/zinc/51/44/87/1079514487.db2.gz QCQUDCODQKHOCG-UHFFFAOYSA-N -1 0 404.429 2.373 20 5 HEBDRM COCCCCS(=O)(=O)[N-]C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000766968846 1079564655 /nfs/dbraw/zinc/56/46/55/1079564655.db2.gz IPBINTQZWRDETK-UHFFFAOYSA-N -1 0 402.472 2.027 20 5 HEBDRM O=C([O-])c1cc(Cl)cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1 ZINC000767179816 1079712765 /nfs/dbraw/zinc/71/27/65/1079712765.db2.gz FYYQIYBABKDJRH-UHFFFAOYSA-N -1 0 405.750 2.311 20 5 HEBDRM 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O=C1C[C@@H](Cc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2)C(=O)N1 ZINC000739674701 1076071285 /nfs/dbraw/zinc/07/12/85/1076071285.db2.gz SCXQZBLBLYDLEI-LLVKDONJSA-N -1 0 423.834 2.254 20 5 HEBDRM O=C(CCCc1nc(C2CC2)no1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000740538774 1076189270 /nfs/dbraw/zinc/18/92/70/1076189270.db2.gz LPGVCTLRTVCNMX-UHFFFAOYSA-N -1 0 414.827 2.336 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1[N+](=O)[O-] ZINC000742032093 1076726879 /nfs/dbraw/zinc/72/68/79/1076726879.db2.gz LGWRLBODIUEFLN-GFCCVEGCSA-N -1 0 421.406 2.048 20 5 HEBDRM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C(=O)OC ZINC000743267206 1077019589 /nfs/dbraw/zinc/01/95/89/1077019589.db2.gz LVJLWSLBBQOXON-UHFFFAOYSA-N -1 0 412.351 2.108 20 5 HEBDRM O=C([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC2CCOCC2)cc1 ZINC000744008771 1077302718 /nfs/dbraw/zinc/30/27/18/1077302718.db2.gz BUTOTCKJRBUBMS-UHFFFAOYSA-N -1 0 420.443 2.412 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2SCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000744011971 1077305109 /nfs/dbraw/zinc/30/51/09/1077305109.db2.gz JQQLAUZRWDEMLO-INIZCTEOSA-N -1 0 408.457 2.439 20 5 HEBDRM COCCCOc1cccc(C(=O)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cs2)c1 ZINC000744130912 1077326239 /nfs/dbraw/zinc/32/62/39/1077326239.db2.gz AEVVPSDKZZHVCA-UHFFFAOYSA-N -1 0 400.434 2.190 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000744258463 1077352855 /nfs/dbraw/zinc/35/28/55/1077352855.db2.gz GRKJAXNHTWXPRS-UHFFFAOYSA-N -1 0 420.378 2.047 20 5 HEBDRM Cc1nn(CCC(=O)[N-]S(=O)(=O)CCSc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000744301083 1077365024 /nfs/dbraw/zinc/36/50/24/1077365024.db2.gz UXCHXXAIIVPPOM-UHFFFAOYSA-N -1 0 412.493 2.037 20 5 HEBDRM COC(=O)C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)c2ccccc21 ZINC000766320547 1077449629 /nfs/dbraw/zinc/44/96/29/1077449629.db2.gz JPQUFLNLMKMQKW-LBPRGKRZSA-N -1 0 406.416 2.464 20 5 HEBDRM CC(=O)CCc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000745313920 1077806387 /nfs/dbraw/zinc/80/63/87/1077806387.db2.gz ZUMMSGRMVYIWBJ-UHFFFAOYSA-N -1 0 420.443 2.309 20 5 HEBDRM Cc1c([N+](=O)[O-])cc(S(=O)(=O)N2CCCC(C)(C)[C@@H]2C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000766327275 1077810769 /nfs/dbraw/zinc/81/07/69/1077810769.db2.gz AHWJZNGRJVOBPH-AWEZNQCLSA-N -1 0 415.424 2.384 20 5 HEBDRM Cc1cc(=O)c(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000767022546 1079595964 /nfs/dbraw/zinc/59/59/64/1079595964.db2.gz FUNUXJLKCKDNAS-IBGZPJMESA-N -1 0 422.397 2.347 20 5 HEBDRM Cc1oc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C(=O)[O-] ZINC000767092873 1079672601 /nfs/dbraw/zinc/67/26/01/1079672601.db2.gz BOGHIEAMCKMATM-UHFFFAOYSA-N -1 0 403.391 2.303 20 5 HEBDRM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccc(F)c(C)c1 ZINC000767250971 1079777900 /nfs/dbraw/zinc/77/79/00/1079777900.db2.gz SEFIYFVXEUXRTK-AWEZNQCLSA-N -1 0 400.359 2.374 20 5 HEBDRM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)c(O)c1 ZINC000785491332 1080016858 /nfs/dbraw/zinc/01/68/58/1080016858.db2.gz TVDMZCGQORAYSZ-UHFFFAOYSA-N -1 0 409.376 2.066 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC[C@@H](C)CO)cc2)cc1[N+](=O)[O-] ZINC000785545736 1080051972 /nfs/dbraw/zinc/05/19/72/1080051972.db2.gz VKZAFLLHUSNCJD-LBPRGKRZSA-N -1 0 408.432 2.489 20 5 HEBDRM CC[C@H](C)NC(=O)CCNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC000798164309 1080129592 /nfs/dbraw/zinc/12/95/92/1080129592.db2.gz DWEBUMKINWLVII-JTQLQIEISA-N -1 0 409.830 2.174 20 5 HEBDRM C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC[C@@H]1C(=O)[O-] ZINC000785702538 1080212728 /nfs/dbraw/zinc/21/27/28/1080212728.db2.gz PODYPFMXMNVXKU-SCZZXKLOSA-N -1 0 407.242 2.089 20 5 HEBDRM COC(=O)CCc1cccc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000786102001 1080397131 /nfs/dbraw/zinc/39/71/31/1080397131.db2.gz XQNULEHBGXDZMG-UHFFFAOYSA-N -1 0 422.415 2.272 20 5 HEBDRM Nc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2c2ccccc2)cc1[N+](=O)[O-] ZINC000786425480 1080595971 /nfs/dbraw/zinc/59/59/71/1080595971.db2.gz RWJRMQCOONGOQR-AWEZNQCLSA-N -1 0 424.866 2.304 20 5 HEBDRM O=C([N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1c1ccccc1 ZINC000786470130 1080612583 /nfs/dbraw/zinc/61/25/83/1080612583.db2.gz MROWPWNNJWNIFK-SFHVURJKSA-N -1 0 403.460 2.252 20 5 HEBDRM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786483530 1080625718 /nfs/dbraw/zinc/62/57/18/1080625718.db2.gz DVHMDSYQGSWMPK-INIZCTEOSA-N -1 0 420.443 2.412 20 5 HEBDRM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000786489032 1080629982 /nfs/dbraw/zinc/62/99/82/1080629982.db2.gz SGYQBSVXYVHMOK-MRXNPFEDSA-N -1 0 420.443 2.412 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768800731 1080778784 /nfs/dbraw/zinc/77/87/84/1080778784.db2.gz LWWHFBYVFPHRNG-GOSISDBHSA-N -1 0 403.460 2.373 20 5 HEBDRM COc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768808358 1080785736 /nfs/dbraw/zinc/78/57/36/1080785736.db2.gz XNGQASUOVLLSDD-KRWDZBQOSA-N -1 0 419.459 2.073 20 5 HEBDRM Cc1ncccc1C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000768786182 1080797435 /nfs/dbraw/zinc/79/74/35/1080797435.db2.gz NWVDGQYEJZWVFB-UHFFFAOYSA-N -1 0 400.210 2.179 20 5 HEBDRM COc1ccccc1[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nccn1C ZINC000768799321 1080803906 /nfs/dbraw/zinc/80/39/06/1080803906.db2.gz TVBDSDKTJLVNLV-OAHLLOKOSA-N -1 0 408.461 2.466 20 5 HEBDRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000786778627 1080819719 /nfs/dbraw/zinc/81/97/19/1080819719.db2.gz WKRKAQVIMIROPS-SKDRFNHKSA-N -1 0 405.329 2.168 20 5 HEBDRM CN(C1CC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768883618 1080830589 /nfs/dbraw/zinc/83/05/89/1080830589.db2.gz ZILOJCOHTSPEGM-UHFFFAOYSA-N -1 0 417.490 2.240 20 5 HEBDRM COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768883429 1080831246 /nfs/dbraw/zinc/83/12/46/1080831246.db2.gz ZPXDQZXDNKRFBS-DEOSSOPVSA-N -1 0 404.491 2.352 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cnn(CC(F)(F)F)c2)cc([N+](=O)[O-])c1C ZINC000786925258 1080896994 /nfs/dbraw/zinc/89/69/94/1080896994.db2.gz INROLLYLQWSDLQ-UHFFFAOYSA-N -1 0 406.342 2.089 20 5 HEBDRM C[C@@](NC(=O)CCn1cc([N+](=O)[O-])cn1)(C(=O)[O-])c1cccc(Br)c1 ZINC000776649545 939093736 /nfs/dbraw/zinc/09/37/36/939093736.db2.gz HDSFHSFJHJHNGX-HNNXBMFYSA-N -1 0 411.212 2.060 20 5 HEBDRM Cc1cc(=O)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000428018232 939145893 /nfs/dbraw/zinc/14/58/93/939145893.db2.gz SSJVFUGDBJOBRM-QGZVFWFLSA-N -1 0 408.370 2.005 20 5 HEBDRM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2)cc1[N+](=O)[O-] ZINC000537364992 939265331 /nfs/dbraw/zinc/26/53/31/939265331.db2.gz YJWCOPMMWWCHGU-UHFFFAOYSA-N -1 0 419.415 2.051 20 5 HEBDRM Cc1nn(Cc2ccc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)cc2)c(C)c1[N+](=O)[O-] ZINC000538506428 939278721 /nfs/dbraw/zinc/27/87/21/939278721.db2.gz WEKSBJLOQXDANX-SFHVURJKSA-N -1 0 404.448 2.147 20 5 HEBDRM C[C@](NC(=O)Nc1cccc([N+](=O)[O-])c1)(C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000562435324 939330261 /nfs/dbraw/zinc/33/02/61/939330261.db2.gz SRNNAOPWVZXFST-QGZVFWFLSA-N -1 0 407.404 2.120 20 5 HEBDRM C[C@](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)(C(=O)[O-])C1CC1 ZINC000564520138 939344632 /nfs/dbraw/zinc/34/46/32/939344632.db2.gz UNDIIOUNGPMTJG-CYBMUJFWSA-N -1 0 404.160 2.183 20 5 HEBDRM C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000611464181 939809239 /nfs/dbraw/zinc/80/92/39/939809239.db2.gz ULQAKPJPWSIQFY-RFAUZJTJSA-N -1 0 423.784 2.448 20 5 HEBDRM C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000745730817 1078619248 /nfs/dbraw/zinc/61/92/48/1078619248.db2.gz VQIJYGSXSPPMIV-LBPRGKRZSA-N -1 0 421.431 2.029 20 5 HEBDRM COc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000766334380 1078634840 /nfs/dbraw/zinc/63/48/40/1078634840.db2.gz OUWJRWGZHMWLIJ-UHFFFAOYSA-N -1 0 423.403 2.294 20 5 HEBDRM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc([N+](=O)[O-])n2C)c(Br)c1 ZINC000745968702 1078712218 /nfs/dbraw/zinc/71/22/18/1078712218.db2.gz BWGUTLLTKGQMKX-UHFFFAOYSA-N -1 0 402.226 2.123 20 5 HEBDRM CC1CCN(c2ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000770141261 1078745886 /nfs/dbraw/zinc/74/58/86/1078745886.db2.gz RESAUUCKKXTUEK-UHFFFAOYSA-N -1 0 409.386 2.453 20 5 HEBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000746315416 1078855940 /nfs/dbraw/zinc/85/59/40/1078855940.db2.gz QCBUOOSCGUBQBW-JTQLQIEISA-N -1 0 407.404 2.156 20 5 HEBDRM COc1nc(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])cc(=O)[n-]1 ZINC000770510565 1078871756 /nfs/dbraw/zinc/87/17/56/1078871756.db2.gz BNSSETPQNYOSEH-UHFFFAOYSA-N -1 0 401.278 2.066 20 5 HEBDRM O=C([O-])CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 ZINC000746387416 1078890539 /nfs/dbraw/zinc/89/05/39/1078890539.db2.gz WQQHBACUDLZZGG-UHFFFAOYSA-N -1 0 407.242 2.233 20 5 HEBDRM Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1Cl ZINC000746431821 1078932867 /nfs/dbraw/zinc/93/28/67/1078932867.db2.gz AKXDLHXHVYRLKL-UHFFFAOYSA-N -1 0 400.844 2.398 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccc(NC(=O)C2CC2)c1 ZINC000770728778 1078955038 /nfs/dbraw/zinc/95/50/38/1078955038.db2.gz SVAGESXYVHXSJE-UHFFFAOYSA-N -1 0 407.379 2.201 20 5 HEBDRM COc1cccc(CCC(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1OC ZINC000770768733 1078988329 /nfs/dbraw/zinc/98/83/29/1078988329.db2.gz WNXQOIWOBUNENC-UHFFFAOYSA-N -1 0 412.395 2.189 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccnc(OCC(F)(F)F)c1 ZINC000770770784 1078989376 /nfs/dbraw/zinc/98/93/76/1078989376.db2.gz BFMGEOUOVAPEJN-UHFFFAOYSA-N -1 0 423.300 2.189 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000770774292 1078990965 /nfs/dbraw/zinc/99/09/65/1078990965.db2.gz CNHUKFQZRQIMKI-HNNXBMFYSA-N -1 0 424.406 2.410 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)n1cccn1 ZINC000770773669 1078991932 /nfs/dbraw/zinc/99/19/32/1078991932.db2.gz VAOMZOWDRHEWCR-INIZCTEOSA-N -1 0 404.379 2.025 20 5 HEBDRM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000770775317 1078992678 /nfs/dbraw/zinc/99/26/78/1078992678.db2.gz KQGDBIFNPZAPGG-QMTHXVAHSA-N -1 0 421.406 2.447 20 5 HEBDRM Cc1cc(C(=O)N2CCC[C@@H]2C(=O)[N-]S(=O)(=O)c2ccsc2)ccc1[N+](=O)[O-] ZINC000766451273 1079008322 /nfs/dbraw/zinc/00/83/22/1079008322.db2.gz HPLCXIKUAKZOSB-OAHLLOKOSA-N -1 0 423.472 2.074 20 5 HEBDRM CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)O1 ZINC000770750055 1079005087 /nfs/dbraw/zinc/00/50/87/1079005087.db2.gz TVQMGRMNMSAHFV-UFBFGSQYSA-N -1 0 407.242 2.120 20 5 HEBDRM CCc1nc(-c2ccc(C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc2)n[nH]1 ZINC000770842955 1079056752 /nfs/dbraw/zinc/05/67/52/1079056752.db2.gz VCPNDVZCGRMNPN-UHFFFAOYSA-N -1 0 415.431 2.369 20 5 HEBDRM COC(=O)[C@H]([N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000766791719 1079383335 /nfs/dbraw/zinc/38/33/35/1079383335.db2.gz BQPJPNXSOVWVNW-MRXNPFEDSA-N -1 0 414.386 2.249 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000737318674 1075899207 /nfs/dbraw/zinc/89/92/07/1075899207.db2.gz NISXFNWELIMDEZ-UHFFFAOYSA-N -1 0 409.807 2.252 20 5 HEBDRM COCC[S@@](=O)Cc1cccc(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000766894678 1079499665 /nfs/dbraw/zinc/49/96/65/1079499665.db2.gz ZFVYMQOBSIREEY-MUUNZHRXSA-N -1 0 406.416 2.440 20 5 HEBDRM CC(C)(C)OC(=O)NC(C)(C)CCC(=O)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000739137819 1076049522 /nfs/dbraw/zinc/04/95/22/1076049522.db2.gz NKYQIIBEXPGBJV-UHFFFAOYSA-N -1 0 415.468 2.483 20 5 HEBDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000740524419 1076206012 /nfs/dbraw/zinc/20/60/12/1076206012.db2.gz ZNYPBLJJKUVTMZ-UHFFFAOYSA-N -1 0 405.432 2.336 20 5 HEBDRM CCCNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1 ZINC000741428305 1076521145 /nfs/dbraw/zinc/52/11/45/1076521145.db2.gz ALPQGGWDLCFWIU-UHFFFAOYSA-N -1 0 419.459 2.470 20 5 HEBDRM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(C(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000742028976 1076724945 /nfs/dbraw/zinc/72/49/45/1076724945.db2.gz RIPSAAHRZWEMKP-UHFFFAOYSA-N -1 0 423.422 2.316 20 5 HEBDRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000743789186 1077116307 /nfs/dbraw/zinc/11/63/07/1077116307.db2.gz JPVPDJRHQXELGM-UHFFFAOYSA-N -1 0 404.386 2.213 20 5 HEBDRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744001881 1077288656 /nfs/dbraw/zinc/28/86/56/1077288656.db2.gz PPLAULDHNCUYTL-SECBINFHSA-N -1 0 414.871 2.282 20 5 HEBDRM CCO[C@@H](C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000744013593 1077305545 /nfs/dbraw/zinc/30/55/45/1077305545.db2.gz ZXHYBHKVMUTCHS-VIFPVBQESA-N -1 0 415.449 2.276 20 5 HEBDRM O=C([N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000744039747 1077311024 /nfs/dbraw/zinc/31/10/24/1077311024.db2.gz FKBHYNNLMVUHGM-GJZGRUSLSA-N -1 0 422.390 2.114 20 5 HEBDRM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744075331 1077313073 /nfs/dbraw/zinc/31/30/73/1077313073.db2.gz QNMSYHLLPYDZDL-SECBINFHSA-N -1 0 414.871 2.282 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(N3CCCC3=O)ccc2F)ccc1[N+](=O)[O-] ZINC000744151302 1077332329 /nfs/dbraw/zinc/33/23/29/1077332329.db2.gz IPJUSPCFQWHTCF-UHFFFAOYSA-N -1 0 421.406 2.288 20 5 HEBDRM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000744936511 1077659347 /nfs/dbraw/zinc/65/93/47/1077659347.db2.gz RPNXKJYHNMOODK-UHFFFAOYSA-N -1 0 414.399 2.337 20 5 HEBDRM COCCN(CCC(=O)[O-])C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000766991025 1079552420 /nfs/dbraw/zinc/55/24/20/1079552420.db2.gz VUILAZAKSYFXAR-UHFFFAOYSA-N -1 0 404.423 2.020 20 5 HEBDRM CC(C)n1cnc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000767508351 1079912039 /nfs/dbraw/zinc/91/20/39/1079912039.db2.gz XAVZOTKWOSJQDF-UHFFFAOYSA-N -1 0 407.452 2.091 20 5 HEBDRM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000767531118 1079922512 /nfs/dbraw/zinc/92/25/12/1079922512.db2.gz VLGJSIDPXVEBET-UHFFFAOYSA-N -1 0 416.843 2.005 20 5 HEBDRM COc1ccc(S(=O)(=O)[N-]C(=O)CN(C)c2ccccc2[N+](=O)[O-])c(C)c1C ZINC000772665173 1080007357 /nfs/dbraw/zinc/00/73/57/1080007357.db2.gz AMVBADYAZSMLNL-UHFFFAOYSA-N -1 0 407.448 2.162 20 5 HEBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)OCCCCO)cc1 ZINC000785510221 1080027792 /nfs/dbraw/zinc/02/77/92/1080027792.db2.gz UZZUUYKGZNABBM-UHFFFAOYSA-N -1 0 424.431 2.334 20 5 HEBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)OC[C@H](C)CO)cc1 ZINC000785515905 1080029621 /nfs/dbraw/zinc/02/96/21/1080029621.db2.gz UEVNOBYSDFIXTR-GFCCVEGCSA-N -1 0 408.432 2.489 20 5 HEBDRM O=C([N-]S(=O)(=O)c1ccc(-n2cccc2)cc1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000768133055 1080365910 /nfs/dbraw/zinc/36/59/10/1080365910.db2.gz DZZHZTCLBONOEB-UHFFFAOYSA-N -1 0 415.383 2.233 20 5 HEBDRM CC(=O)N[C@H](CC1CCC1)C(=O)[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000786272267 1080521086 /nfs/dbraw/zinc/52/10/86/1080521086.db2.gz IEQHSYGYUNLGEB-CQSZACIVSA-N -1 0 417.871 2.056 20 5 HEBDRM COC(=O)c1[nH]c(C)c(C(=O)[N-]S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)c1C ZINC000768761641 1080752349 /nfs/dbraw/zinc/75/23/49/1080752349.db2.gz SXUMMKSDZZZZQN-UHFFFAOYSA-N -1 0 409.420 2.062 20 5 HEBDRM Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000768800732 1080778697 /nfs/dbraw/zinc/77/86/97/1080778697.db2.gz LWWHFBYVFPHRNG-SFHVURJKSA-N -1 0 403.460 2.373 20 5 HEBDRM O=C(c1cccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1)N1CCC[C@@H](O)C1 ZINC000768884007 1080831722 /nfs/dbraw/zinc/83/17/22/1080831722.db2.gz PKDVUCUHDLUSAF-CYBMUJFWSA-N -1 0 411.461 2.054 20 5 HEBDRM Cc1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CC1 ZINC000768890480 1080834964 /nfs/dbraw/zinc/83/49/64/1080834964.db2.gz WRIMCFYBLBRMMN-UHFFFAOYSA-N -1 0 417.490 2.206 20 5 HEBDRM CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768861926 1080843601 /nfs/dbraw/zinc/84/36/01/1080843601.db2.gz PGJNKFBTNNJUQU-UHFFFAOYSA-N -1 0 405.479 2.144 20 5 HEBDRM COCCOc1ccc(F)cc1S(=O)(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1C ZINC000787015848 1080974326 /nfs/dbraw/zinc/97/43/26/1080974326.db2.gz DIRTYCJOSQKATD-UHFFFAOYSA-N -1 0 412.395 2.186 20 5 HEBDRM CC(C)(C)c1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc([N+](=O)[O-])cs3)cn21 ZINC000769299357 1081035092 /nfs/dbraw/zinc/03/50/92/1081035092.db2.gz QALNVTBIWOHCID-UHFFFAOYSA-N -1 0 409.449 2.115 20 5 HEBDRM CN(CCCC(=O)[O-])C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000769451938 1081084668 /nfs/dbraw/zinc/08/46/68/1081084668.db2.gz UFBBBLAZBGLTRU-UHFFFAOYSA-N -1 0 422.415 2.299 20 5 HEBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1Br ZINC000769636482 1081156420 /nfs/dbraw/zinc/15/64/20/1081156420.db2.gz VXBNGGPOUPGDSC-SNVBAGLBSA-N -1 0 417.241 2.316 20 5 HEBDRM