smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@H]1CCN(C(=O)c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000376909860 790842212 /nfs/dbraw/zinc/84/22/12/790842212.db2.gz GXFXGZPHRSQRJW-LBPRGKRZSA-N 0 2 356.338 1.340 20 5 FDBDLN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000516069202 816621231 /nfs/dbraw/zinc/62/12/31/816621231.db2.gz WSHQKHUJDLOVDV-QMMMGPOBSA-N 0 2 367.312 1.645 20 5 FDBDLN O=C(c1ccccc1O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436883595 816776233 /nfs/dbraw/zinc/77/62/33/816776233.db2.gz GPIPTGUNMAUODF-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000450895927 830171131 /nfs/dbraw/zinc/17/11/31/830171131.db2.gz LIILPZSFCQZRJD-LLVKDONJSA-N 0 2 361.358 1.810 20 5 FDBDLN Cn1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000480031492 844714041 /nfs/dbraw/zinc/71/40/41/844714041.db2.gz PULWZBIBAQBCQI-UHFFFAOYSA-N 0 2 371.357 1.182 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(N)=O)c1 ZINC000913567498 867300169 /nfs/dbraw/zinc/30/01/69/867300169.db2.gz AATOMWYVOPSSTE-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN Cc1ccc(-c2noc(Cn3[nH]cc4c(=O)ncnc3-4)n2)cc1[N+](=O)[O-] ZINC000761634906 873683180 /nfs/dbraw/zinc/68/31/80/873683180.db2.gz BVOAZTBKTHHGCY-UHFFFAOYSA-N 0 2 353.298 1.386 20 5 FDBDLN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000750951332 906290810 /nfs/dbraw/zinc/29/08/10/906290810.db2.gz BDWJHZXAXLCLLB-UHFFFAOYSA-N 0 2 373.318 1.710 20 5 FDBDLN N=C1NC(=O)[C@@H](CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)S1 ZINC000742696388 926147558 /nfs/dbraw/zinc/14/75/58/926147558.db2.gz WGUQGNGLNIRIEZ-GFCCVEGCSA-N 0 2 350.400 1.590 20 5 FDBDLN COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000788279446 932636829 /nfs/dbraw/zinc/63/68/29/932636829.db2.gz GJYASZUKTYPKDT-OAHLLOKOSA-N 0 2 362.338 1.781 20 5 FDBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000790942058 933810470 /nfs/dbraw/zinc/81/04/70/933810470.db2.gz KNWRQAVATDBAET-ZETCQYMHSA-N 0 2 356.339 1.095 20 5 FDBDLN O=C(NC[C@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(F)(F)F ZINC000817489870 942793860 /nfs/dbraw/zinc/79/38/60/942793860.db2.gz HSCFYVVQXCYNKA-CKYFFXLPSA-N 0 2 357.288 1.288 20 5 FDBDLN O=C(NC[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000817489870 942793864 /nfs/dbraw/zinc/79/38/64/942793864.db2.gz HSCFYVVQXCYNKA-CKYFFXLPSA-N 0 2 357.288 1.288 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000844242401 947909843 /nfs/dbraw/zinc/90/98/43/947909843.db2.gz UNUCAGLHRALUHB-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000844242401 947909848 /nfs/dbraw/zinc/90/98/48/947909848.db2.gz UNUCAGLHRALUHB-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C(=O)[O-] ZINC001589347873 954061984 /nfs/dbraw/zinc/06/19/84/954061984.db2.gz IWDMPAFDMMMLFP-WCQYABFASA-N 0 2 358.354 1.963 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)cs1 ZINC000775159690 965978036 /nfs/dbraw/zinc/97/80/36/965978036.db2.gz SNUHDGGKUPFBPR-UHFFFAOYSA-N 0 2 357.295 1.611 20 5 FDBDLN CC(C)n1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC001195127809 970706998 /nfs/dbraw/zinc/70/69/98/970706998.db2.gz PYGOGNNOKJBGNZ-UHFFFAOYSA-N 0 2 364.746 1.756 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000794867283 974481893 /nfs/dbraw/zinc/48/18/93/974481893.db2.gz WCWOFGQWOPJJBZ-UHFFFAOYSA-N 0 2 368.327 1.895 20 5 FDBDLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)OCCC[N+](=O)[O-])cn1 ZINC000860916134 983556792 /nfs/dbraw/zinc/55/67/92/983556792.db2.gz ODZAJHHZLDFAFG-UHFFFAOYSA-N 0 2 374.400 1.106 20 5 FDBDLN CCOC(=O)[C@H](C)C1C[NH+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001596518076 984307889 /nfs/dbraw/zinc/30/78/89/984307889.db2.gz XHGQNYDQSIFMHU-LLVKDONJSA-N 0 2 366.370 1.689 20 5 FDBDLN CCCn1nc2c(cc1=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000363738964 989418320 /nfs/dbraw/zinc/41/83/20/989418320.db2.gz KGDUTKPNJYUSIK-UHFFFAOYSA-N 0 2 358.354 1.466 20 5 FDBDLN CC(C)(C)n1ncnc1C[NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001590605001 990269403 /nfs/dbraw/zinc/26/94/03/990269403.db2.gz IKQCMBVTUNWFSI-UHFFFAOYSA-N 0 2 363.374 1.695 20 5 FDBDLN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000372174019 990947014 /nfs/dbraw/zinc/94/70/14/990947014.db2.gz VIHUAIUBGFWSMT-CQSZACIVSA-N 0 2 356.338 1.621 20 5 FDBDLN O=C1OCCN1c1ccc(S(=O)(=O)Nc2nncs2)cc1[N+](=O)[O-] ZINC000777672401 1001339123 /nfs/dbraw/zinc/33/91/23/1001339123.db2.gz HFZGHOBCVMTDSG-UHFFFAOYSA-N 0 2 371.356 1.204 20 5 FDBDLN COc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000522002975 539529942 /nfs/dbraw/zinc/52/99/42/539529942.db2.gz DZOCRYPTFDXMHZ-UHFFFAOYSA-N 0 2 361.358 1.376 20 5 FDBDLN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000274142858 181033443 /nfs/dbraw/zinc/03/34/43/181033443.db2.gz COKYLNQVZAJOLQ-GDBMZVCRSA-N 0 2 361.398 1.789 20 5 FDBDLN O=C(c1ccsc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274619058 181133866 /nfs/dbraw/zinc/13/38/66/181133866.db2.gz KEDBBZVBWWNKSM-UHFFFAOYSA-N 0 2 361.379 1.960 20 5 FDBDLN CCO[C@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])cc2O)(C(=O)OC)C1(C)C ZINC000275555509 181350293 /nfs/dbraw/zinc/35/02/93/181350293.db2.gz IHOARQMPZYZLGG-SUMWQHHRSA-N 0 2 366.370 1.777 20 5 FDBDLN Cc1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000544742328 541820714 /nfs/dbraw/zinc/82/07/14/541820714.db2.gz HTRIRNGAPMSDPP-UHFFFAOYSA-N 0 2 373.394 1.848 20 5 FDBDLN CS(=O)(=O)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000295874629 184110794 /nfs/dbraw/zinc/11/07/94/184110794.db2.gz VEAKTZFRGOZDBT-UHFFFAOYSA-N 0 2 356.400 1.634 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000551385406 543278213 /nfs/dbraw/zinc/27/82/13/543278213.db2.gz KKOFWDPQUSZKGS-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552436876 543466871 /nfs/dbraw/zinc/46/68/71/543466871.db2.gz BQSSSVYEXUNKLU-QMMMGPOBSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(NCCn1cc(Br)cn1)c1cccc(O)c1[N+](=O)[O-] ZINC000557425589 544289759 /nfs/dbraw/zinc/28/97/59/544289759.db2.gz MEJLNLJVRKJOTA-UHFFFAOYSA-N 0 2 355.148 1.689 20 5 FDBDLN Cc1cc(N2CCC(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)nc[nH+]1 ZINC000375236599 261294797 /nfs/dbraw/zinc/29/47/97/261294797.db2.gz GZSVPNCDZXPBFK-UHFFFAOYSA-N 0 2 357.370 1.798 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375877171 261445569 /nfs/dbraw/zinc/44/55/69/261445569.db2.gz VXOLLCAPJLJVGW-XHDPSFHLSA-N 0 2 350.371 1.598 20 5 FDBDLN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000409641472 262130616 /nfs/dbraw/zinc/13/06/16/262130616.db2.gz YKPCHPRJTRBBCR-UHFFFAOYSA-N 0 2 369.337 1.780 20 5 FDBDLN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270870492 674280418 /nfs/dbraw/zinc/28/04/18/674280418.db2.gz TVLCRXBASDVZFB-XVKPBYJWSA-N 0 2 360.285 1.714 20 5 FDBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CCO)c2)cc1[N+](=O)[O-] ZINC000067659958 523535968 /nfs/dbraw/zinc/53/59/68/523535968.db2.gz ZSGOMKMLSFNZSO-UHFFFAOYSA-N 0 2 360.779 1.546 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000054040713 523557922 /nfs/dbraw/zinc/55/79/22/523557922.db2.gz OLLMZBZZBHPFST-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158616752 524500026 /nfs/dbraw/zinc/50/00/26/524500026.db2.gz DWMBSQGDFJXFNU-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000116710895 525196131 /nfs/dbraw/zinc/19/61/31/525196131.db2.gz KVXRCXAANNKDIV-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cncnc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000127212316 525396160 /nfs/dbraw/zinc/39/61/60/525396160.db2.gz UPHLMKPMLZSIJT-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Nc1c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000186650483 536240038 /nfs/dbraw/zinc/24/00/38/536240038.db2.gz ULUDUXCHACZWSH-UHFFFAOYSA-N 0 2 368.353 1.804 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189992917 537124839 /nfs/dbraw/zinc/12/48/39/537124839.db2.gz GQGGVGIKNHHWKX-UHFFFAOYSA-N 0 2 357.370 1.863 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000372807920 538037533 /nfs/dbraw/zinc/03/75/33/538037533.db2.gz SCBKKPOICFWIBZ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)c([N+](=O)[O-])n1 ZINC000446961741 538333856 /nfs/dbraw/zinc/33/38/56/538333856.db2.gz CIAGBSUIRVPPJF-UHFFFAOYSA-N 0 2 370.391 1.728 20 5 FDBDLN CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000461453068 538516800 /nfs/dbraw/zinc/51/68/00/538516800.db2.gz LRUKJUMGTKOIGA-UHFFFAOYSA-N 0 2 367.339 1.166 20 5 FDBDLN CS(=O)(=O)c1cc(C(=O)Nc2ccc3nn[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000471930297 538558949 /nfs/dbraw/zinc/55/89/49/538558949.db2.gz XGSFYJDKNCCNGS-UHFFFAOYSA-N 0 2 361.339 1.522 20 5 FDBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n1 ZINC000479142001 538788241 /nfs/dbraw/zinc/78/82/41/538788241.db2.gz PNRMWHNRDXMAEC-UHFFFAOYSA-N 0 2 366.403 1.842 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000563886869 546723703 /nfs/dbraw/zinc/72/37/03/546723703.db2.gz ONISNRLBTZBQHF-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000571451077 549650015 /nfs/dbraw/zinc/65/00/15/549650015.db2.gz YRRZIGLUDORYMJ-UHFFFAOYSA-N 0 2 363.370 1.050 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000571451077 549650018 /nfs/dbraw/zinc/65/00/18/549650018.db2.gz YRRZIGLUDORYMJ-UHFFFAOYSA-N 0 2 363.370 1.050 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000571967324 549812894 /nfs/dbraw/zinc/81/28/94/549812894.db2.gz ZUYWISZDPMVPLO-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000571967324 549812895 /nfs/dbraw/zinc/81/28/95/549812895.db2.gz ZUYWISZDPMVPLO-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN O=C([O-])c1cnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c([N+](=O)[O-])c1 ZINC000572044115 549831279 /nfs/dbraw/zinc/83/12/79/549831279.db2.gz ZFSAAVWXMZVIJP-UHFFFAOYSA-N 0 2 358.354 1.716 20 5 FDBDLN Cc1noc(C)c1C[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000572409976 549908488 /nfs/dbraw/zinc/90/84/88/549908488.db2.gz JYBCRLDDXDKHRS-UHFFFAOYSA-N 0 2 361.358 1.615 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000585817987 551611442 /nfs/dbraw/zinc/61/14/42/551611442.db2.gz YQVVDMRUXVMLAG-YUTCNCBUSA-N 0 2 350.371 1.693 20 5 FDBDLN Cn1cccc1C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586467255 551612557 /nfs/dbraw/zinc/61/25/57/551612557.db2.gz ZQOKLFXQHGLTQI-UHFFFAOYSA-N 0 2 358.354 1.237 20 5 FDBDLN O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000589487660 551733244 /nfs/dbraw/zinc/73/32/44/551733244.db2.gz QWTBYMKFJDXCNY-UHFFFAOYSA-N 0 2 351.340 1.217 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000591260805 551854411 /nfs/dbraw/zinc/85/44/11/551854411.db2.gz PASAGNIWUGZZDK-UHFFFAOYSA-N 0 2 372.428 1.922 20 5 FDBDLN C[C@H]1C[NH+](CCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000591584694 551881185 /nfs/dbraw/zinc/88/11/85/551881185.db2.gz FYWQNNALJJDXCY-RYUDHWBXSA-N 0 2 373.431 1.078 20 5 FDBDLN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487188 552324271 /nfs/dbraw/zinc/32/42/71/552324271.db2.gz LLWWWCXNRPBPTR-WCBMZHEXSA-N 0 2 369.321 1.768 20 5 FDBDLN Cc1noc(CS(=O)(=O)c2n[nH]c(Cc3cccs3)n2)c1[N+](=O)[O-] ZINC000596020402 552645219 /nfs/dbraw/zinc/64/52/19/552645219.db2.gz CZLWMLNMAKFVSO-UHFFFAOYSA-N 0 2 369.384 1.636 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(s2)CSCC3)n1 ZINC000600666902 553296516 /nfs/dbraw/zinc/29/65/16/553296516.db2.gz KFEZYOKLDBQOCR-UHFFFAOYSA-N 0 2 361.430 1.375 20 5 FDBDLN O=C(NCC[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600803210 553316271 /nfs/dbraw/zinc/31/62/71/553316271.db2.gz UGRNKWZXHAKQCB-OAHLLOKOSA-N 0 2 360.366 1.998 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C)s2)c([N+](=O)[O-])c1 ZINC000603492518 553795228 /nfs/dbraw/zinc/79/52/28/553795228.db2.gz LVLXLVFMDQJSMZ-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN COC(=O)c1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])oc1C ZINC000610260554 554483406 /nfs/dbraw/zinc/48/34/06/554483406.db2.gz BECQUURRFPZEPG-UHFFFAOYSA-N 0 2 355.328 1.156 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)c([N+](=O)[O-])n1 ZINC000610938654 554583718 /nfs/dbraw/zinc/58/37/18/554583718.db2.gz AKBYAWJHTSNXQD-UHFFFAOYSA-N 0 2 365.375 1.202 20 5 FDBDLN CCOc1cnc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000614679767 555095935 /nfs/dbraw/zinc/09/59/35/555095935.db2.gz LLAFLHFOEWJKEZ-UHFFFAOYSA-N 0 2 355.314 1.821 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000436564156 567885342 /nfs/dbraw/zinc/88/53/42/567885342.db2.gz JQCGKROIZSTYMW-UHFFFAOYSA-N 0 2 362.363 1.730 20 5 FDBDLN CCOC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCOC1 ZINC000436659542 568251653 /nfs/dbraw/zinc/25/16/53/568251653.db2.gz PJHWCCAFJKFOTN-YGRLFVJLSA-N 0 2 352.343 1.389 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737905567 599758691 /nfs/dbraw/zinc/75/86/91/599758691.db2.gz LQISLPKYHARBQA-INIZCTEOSA-N 0 2 359.338 1.957 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000737905568 599758705 /nfs/dbraw/zinc/75/87/05/599758705.db2.gz LQISLPKYHARBQA-MRXNPFEDSA-N 0 2 359.338 1.957 20 5 FDBDLN O=C([O-])C1CC[NH+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000738461689 599966959 /nfs/dbraw/zinc/96/69/59/599966959.db2.gz VPYLEEGRCYOUFY-UHFFFAOYSA-N 0 2 351.315 1.059 20 5 FDBDLN O=C([O-])CNC(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000739813497 600433727 /nfs/dbraw/zinc/43/37/27/600433727.db2.gz TUTDHHZNCQYMQF-UHFFFAOYSA-N 0 2 373.369 1.447 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000739688186 602671742 /nfs/dbraw/zinc/67/17/42/602671742.db2.gz VVZFBPSJFOSVRP-UHFFFAOYSA-N 0 2 359.386 1.875 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828508011 603596953 /nfs/dbraw/zinc/59/69/53/603596953.db2.gz VXJXJFNDVRNNIE-SNVBAGLBSA-N 0 2 371.781 1.664 20 5 FDBDLN C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828508011 603596954 /nfs/dbraw/zinc/59/69/54/603596954.db2.gz VXJXJFNDVRNNIE-SNVBAGLBSA-N 0 2 371.781 1.664 20 5 FDBDLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)[O-] ZINC000825926570 603721497 /nfs/dbraw/zinc/72/14/97/603721497.db2.gz WVQVYNQGHBQMQZ-FZMZJTMJSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)[O-] ZINC000825926570 603721498 /nfs/dbraw/zinc/72/14/98/603721498.db2.gz WVQVYNQGHBQMQZ-FZMZJTMJSA-N 0 2 350.375 1.901 20 5 FDBDLN COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441745 603847243 /nfs/dbraw/zinc/84/72/43/603847243.db2.gz IFYISGSJYAAPLS-GHMZBOCLSA-N 0 2 366.374 1.615 20 5 FDBDLN COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441745 603847246 /nfs/dbraw/zinc/84/72/46/603847246.db2.gz IFYISGSJYAAPLS-GHMZBOCLSA-N 0 2 366.374 1.615 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](CNC(=O)[O-])C1 ZINC000828506097 604404507 /nfs/dbraw/zinc/40/45/07/604404507.db2.gz DIRLVKHNBZTEHU-GFCCVEGCSA-N 0 2 362.342 1.365 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](CNC(=O)[O-])C1 ZINC000828506097 604404509 /nfs/dbraw/zinc/40/45/09/604404509.db2.gz DIRLVKHNBZTEHU-GFCCVEGCSA-N 0 2 362.342 1.365 20 5 FDBDLN C[N@H+](CC(=O)N1CCN(C(=O)[O-])CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000828096178 605476122 /nfs/dbraw/zinc/47/61/22/605476122.db2.gz YONHIMMZGNSAAT-UHFFFAOYSA-N 0 2 370.793 1.502 20 5 FDBDLN C[N@@H+](CC(=O)N1CCN(C(=O)[O-])CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000828096178 605476129 /nfs/dbraw/zinc/47/61/29/605476129.db2.gz YONHIMMZGNSAAT-UHFFFAOYSA-N 0 2 370.793 1.502 20 5 FDBDLN Cc1nn(Cc2nc3cc([N+](=O)[O-])ccc3o2)c(=O)c(-c2nn[nH]n2)c1C ZINC000822505943 606311299 /nfs/dbraw/zinc/31/12/99/606311299.db2.gz ZLBVTXDTQYPTPT-UHFFFAOYSA-N 0 2 368.313 1.138 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000826272522 608757728 /nfs/dbraw/zinc/75/77/28/608757728.db2.gz OFGSECALSCPCIQ-UHFFFAOYSA-N 0 2 361.343 1.279 20 5 FDBDLN O=C(Nc1ccnn1-c1ccc(Br)cn1)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000366190244 677420306 /nfs/dbraw/zinc/42/03/06/677420306.db2.gz KHWRSIRLKDQCJS-DTWKUNHWSA-N 0 2 352.148 1.634 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375877169 678189558 /nfs/dbraw/zinc/18/95/58/678189558.db2.gz VXOLLCAPJLJVGW-IAQYHMDHSA-N 0 2 350.371 1.598 20 5 FDBDLN COC(=O)Cc1csc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436886810 681741261 /nfs/dbraw/zinc/74/12/61/681741261.db2.gz UEDHGIZMHXHQLR-UHFFFAOYSA-N 0 2 351.340 1.749 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000451105991 682819171 /nfs/dbraw/zinc/81/91/71/682819171.db2.gz KMQFPGPWZKZZHW-UHFFFAOYSA-N 0 2 353.360 1.332 20 5 FDBDLN CCN1CC[NH+](CC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000456902589 683692513 /nfs/dbraw/zinc/69/25/13/683692513.db2.gz PZMLLLUQDOIEMP-UHFFFAOYSA-N 0 2 350.419 1.446 20 5 FDBDLN COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000462687477 684657576 /nfs/dbraw/zinc/65/75/76/684657576.db2.gz YMSCFRASJKFEEX-VIFPVBQESA-N 0 2 370.305 1.508 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000463430375 684690652 /nfs/dbraw/zinc/69/06/52/684690652.db2.gz NARWLXUMLLETRO-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1NC(C)=O ZINC000484002278 686550336 /nfs/dbraw/zinc/55/03/36/686550336.db2.gz GIWYVPFROWPMOL-UHFFFAOYSA-N 0 2 366.355 1.758 20 5 FDBDLN Cc1noc(Cn2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2=O)n1 ZINC000471292614 771807154 /nfs/dbraw/zinc/80/71/54/771807154.db2.gz OFRIKUVIFHWFPZ-UHFFFAOYSA-N 0 2 371.309 1.454 20 5 FDBDLN COCCn1cc2c(n1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000376923323 790856359 /nfs/dbraw/zinc/85/63/59/790856359.db2.gz QSIPYKGWEIYYMZ-AWEZNQCLSA-N 0 2 360.370 1.951 20 5 FDBDLN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377067890 791023602 /nfs/dbraw/zinc/02/36/02/791023602.db2.gz OYPGCVLYKZVEHC-AWEZNQCLSA-N 0 2 356.338 1.621 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000365090282 785283392 /nfs/dbraw/zinc/28/33/92/785283392.db2.gz BBDKYNUHQFLWDJ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376001370 785508964 /nfs/dbraw/zinc/50/89/64/785508964.db2.gz XIULKTMKZXBLRI-QWRGUYRKSA-N 0 2 361.333 1.437 20 5 FDBDLN COc1ccnc(NC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000376139714 785990732 /nfs/dbraw/zinc/99/07/32/785990732.db2.gz CTDZMTBVXSUQPD-UHFFFAOYSA-N 0 2 373.369 1.816 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[C@H](OC)C1 ZINC000514677897 815924078 /nfs/dbraw/zinc/92/40/78/815924078.db2.gz MGFQDOLAOYXTHH-ITDIGPHOSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436967031 816812228 /nfs/dbraw/zinc/81/22/28/816812228.db2.gz WSHVVFWNCXSHER-MRXNPFEDSA-N 0 2 369.377 1.920 20 5 FDBDLN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC)cc1 ZINC000436986619 816833815 /nfs/dbraw/zinc/83/38/15/816833815.db2.gz GUANZOLUPNOJDZ-HNNXBMFYSA-N 0 2 360.322 1.953 20 5 FDBDLN CC(=O)Nc1ccc(NC(=[NH2+])SCCS(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC001168093164 829044906 /nfs/dbraw/zinc/04/49/06/829044906.db2.gz LAOMXPUXUVFOHI-UHFFFAOYSA-N 0 2 362.389 1.521 20 5 FDBDLN NC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000490396789 861228785 /nfs/dbraw/zinc/22/87/85/861228785.db2.gz HVUJSVHOABEZAM-UHFFFAOYSA-N 0 2 353.298 1.126 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132628410 878879280 /nfs/dbraw/zinc/87/92/80/878879280.db2.gz VKADXBJFMGHQFT-UHFFFAOYSA-N 0 2 360.301 1.835 20 5 FDBDLN O=C(NCCCN1C(=O)COc2ccccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000498873848 885938809 /nfs/dbraw/zinc/93/88/09/885938809.db2.gz GUAHEDQFERQGIH-UHFFFAOYSA-N 0 2 371.349 1.846 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)s1 ZINC000921863485 892191772 /nfs/dbraw/zinc/19/17/72/892191772.db2.gz WBVLGUWXDXYLJY-MUWHJKNJSA-N 0 2 360.335 1.902 20 5 FDBDLN CN(C)[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000921632468 909026163 /nfs/dbraw/zinc/02/61/63/909026163.db2.gz HJLHXQGBFFDZIW-SNVBAGLBSA-N 0 2 373.328 1.895 20 5 FDBDLN O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000772406632 931239832 /nfs/dbraw/zinc/23/98/32/931239832.db2.gz BYJZCMJXHSCGRA-UHFFFAOYSA-N 0 2 364.379 1.645 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n(C)n1 ZINC000790638544 933638390 /nfs/dbraw/zinc/63/83/90/933638390.db2.gz DLTVNTYUADCJOK-UHFFFAOYSA-N 0 2 369.359 1.963 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)oc1C ZINC000808554842 940555177 /nfs/dbraw/zinc/55/51/77/940555177.db2.gz IVCULNPQPSDENS-UHFFFAOYSA-N 0 2 361.357 1.930 20 5 FDBDLN O=C([O-])C1(CNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC001601474466 971004565 /nfs/dbraw/zinc/00/45/65/971004565.db2.gz KUZQAMNRCUHICO-UHFFFAOYSA-N 0 2 374.353 1.392 20 5 FDBDLN O=C([O-])C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCOC1 ZINC000823348810 945678710 /nfs/dbraw/zinc/67/87/10/945678710.db2.gz DFKRBHSGZHUPCY-KRWDZBQOSA-N 0 2 374.353 1.534 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000773087907 955439660 /nfs/dbraw/zinc/43/96/60/955439660.db2.gz PDYBXSCSYKBBEG-UHFFFAOYSA-N 0 2 363.399 1.839 20 5 FDBDLN Cc1cc(F)cc(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)c1[N+](=O)[O-] ZINC000133579776 982774039 /nfs/dbraw/zinc/77/40/39/982774039.db2.gz RQGXKBGIHRLYDL-UHFFFAOYSA-N 0 2 373.344 1.925 20 5 FDBDLN C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C(C)(C)C1 ZINC001598619618 993977550 /nfs/dbraw/zinc/97/75/50/993977550.db2.gz JGIDCCCVRZOMTB-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C(C)(C)C1 ZINC001598619618 993977557 /nfs/dbraw/zinc/97/75/57/993977557.db2.gz JGIDCCCVRZOMTB-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(CC(F)(F)F)n1 ZINC000194995307 178232756 /nfs/dbraw/zinc/23/27/56/178232756.db2.gz XJAHXHLPUWJFGY-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264931375 179243807 /nfs/dbraw/zinc/24/38/07/179243807.db2.gz NWNKQTCSQBRQNL-SNVBAGLBSA-N 0 2 363.399 1.737 20 5 FDBDLN O=C(COc1ccccc1[N+](=O)[O-])N=c1nc(-c2cccnc2)[nH]s1 ZINC000535175385 540456154 /nfs/dbraw/zinc/45/61/54/540456154.db2.gz WREOBHCFKYIYII-UHFFFAOYSA-N 0 2 357.351 1.948 20 5 FDBDLN CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccccc1 ZINC000535516111 540479572 /nfs/dbraw/zinc/47/95/72/540479572.db2.gz NHVNLAOAOYWPKY-UHFFFAOYSA-N 0 2 365.367 1.560 20 5 FDBDLN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000536701440 540641801 /nfs/dbraw/zinc/64/18/01/540641801.db2.gz LJWSSNONHDOQND-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN Cc1ccc(C(=O)NCCNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1F ZINC000536871441 540655508 /nfs/dbraw/zinc/65/55/08/540655508.db2.gz QBHDTPGRPFBEOU-UHFFFAOYSA-N 0 2 361.329 1.908 20 5 FDBDLN COc1ccc(CNC(=O)CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000537244101 540705647 /nfs/dbraw/zinc/70/56/47/540705647.db2.gz XFFLSCLIZQXPMW-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN O=C(CCNS(=O)(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000538870661 540902587 /nfs/dbraw/zinc/90/25/87/540902587.db2.gz RAXRLOJNOUTCKD-UHFFFAOYSA-N 0 2 365.367 1.608 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1C ZINC000539855033 541000712 /nfs/dbraw/zinc/00/07/12/541000712.db2.gz SLYQAJFQDGAJCA-UHFFFAOYSA-N 0 2 369.355 1.529 20 5 FDBDLN O=C([O-])c1csc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000540672642 541086980 /nfs/dbraw/zinc/08/69/80/541086980.db2.gz QMVYQENYKMUTRX-UHFFFAOYSA-N 0 2 373.350 1.865 20 5 FDBDLN COc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cccc1C(N)=O ZINC000541124368 541154671 /nfs/dbraw/zinc/15/46/71/541154671.db2.gz KWOQSMOXMKVOLG-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000543719986 541645353 /nfs/dbraw/zinc/64/53/53/541645353.db2.gz NTANJNYCMWKFAD-GFCCVEGCSA-N 0 2 352.343 1.485 20 5 FDBDLN C[C@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000283009230 182089351 /nfs/dbraw/zinc/08/93/51/182089351.db2.gz RSFTVEQBSUISIM-JTQLQIEISA-N 0 2 358.358 1.577 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000283651333 182241815 /nfs/dbraw/zinc/24/18/15/182241815.db2.gz OGUIVANJXBMKAF-IUODEOHRSA-N 0 2 350.371 1.598 20 5 FDBDLN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000286277531 183030283 /nfs/dbraw/zinc/03/02/83/183030283.db2.gz NZZTVQGVOAJJEX-LBPRGKRZSA-N 0 2 362.386 1.710 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000296070335 184127412 /nfs/dbraw/zinc/12/74/12/184127412.db2.gz NZJASMFHTMDMOH-NWDGAFQWSA-N 0 2 355.350 1.722 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297068368 184231595 /nfs/dbraw/zinc/23/15/95/184231595.db2.gz WRBBYVMMZBNHEL-UHFFFAOYSA-N 0 2 373.325 1.566 20 5 FDBDLN O=C(NCc1nc(COc2ccccc2)n[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552168913 543429324 /nfs/dbraw/zinc/42/93/24/543429324.db2.gz VPHFAJPBDVBKQS-UHFFFAOYSA-N 0 2 369.337 1.928 20 5 FDBDLN Cn1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2(CO)CCC2)cn1 ZINC000552180402 543433029 /nfs/dbraw/zinc/43/30/29/543433029.db2.gz RNFOJHGCTYQTDK-OAHLLOKOSA-N 0 2 360.370 1.668 20 5 FDBDLN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552136846 543423737 /nfs/dbraw/zinc/42/37/37/543423737.db2.gz QZDJIYDACHMUPJ-LLVKDONJSA-N 0 2 368.349 1.829 20 5 FDBDLN CS(=O)(=O)c1cccc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000557686435 544330413 /nfs/dbraw/zinc/33/04/13/544330413.db2.gz PWSLDIVUERUPOE-VIFPVBQESA-N 0 2 367.387 1.206 20 5 FDBDLN CC(C)(C)n1ncnc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000281854805 258684066 /nfs/dbraw/zinc/68/40/66/258684066.db2.gz BLQPMFWAOYFPDX-UHFFFAOYSA-N 0 2 357.367 1.559 20 5 FDBDLN O=C(CNS(=O)(=O)c1cccs1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000558334883 544411412 /nfs/dbraw/zinc/41/14/12/544411412.db2.gz XKGADZDYGAHZBF-UHFFFAOYSA-N 0 2 357.369 1.279 20 5 FDBDLN COc1ccc(-n2cc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)nn2)cc1 ZINC000364006660 259700639 /nfs/dbraw/zinc/70/06/39/259700639.db2.gz DPUICGTXMXNUMQ-UHFFFAOYSA-N 0 2 369.337 1.820 20 5 FDBDLN O=C(c1ccc[nH]1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000368899367 260257126 /nfs/dbraw/zinc/25/71/26/260257126.db2.gz JACFOVGAQRIUJC-UHFFFAOYSA-N 0 2 358.354 1.617 20 5 FDBDLN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000371750685 260761149 /nfs/dbraw/zinc/76/11/49/260761149.db2.gz KDOCLTVOUZTFFM-ZFWWWQNUSA-N 0 2 365.411 1.025 20 5 FDBDLN O=C(c1ccccn1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000373475459 261013541 /nfs/dbraw/zinc/01/35/41/261013541.db2.gz LMBVZNOZSJWFRG-UHFFFAOYSA-N 0 2 370.365 1.684 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)c1ccoc1 ZINC000375686939 261399095 /nfs/dbraw/zinc/39/90/95/261399095.db2.gz GTWZISIKNGWBTP-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000408071234 262078281 /nfs/dbraw/zinc/07/82/81/262078281.db2.gz AZRVZJILOWLECJ-UHFFFAOYSA-N 0 2 368.411 1.874 20 5 FDBDLN O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000517532040 490911016 /nfs/dbraw/zinc/91/10/16/490911016.db2.gz JFLKNSCYXQXMON-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FDBDLN COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000023779718 518965765 /nfs/dbraw/zinc/96/57/65/518965765.db2.gz LKIBTCOPAMUMOC-ZDUSSCGKSA-N 0 2 367.383 1.283 20 5 FDBDLN O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031328601 519429141 /nfs/dbraw/zinc/42/91/41/519429141.db2.gz IGJHAAOTOSVMPG-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(F)c1 ZINC000111631609 524313937 /nfs/dbraw/zinc/31/39/37/524313937.db2.gz CGNAPDGYGCFFLP-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000158724241 524516502 /nfs/dbraw/zinc/51/65/02/524516502.db2.gz HJNHBIVQPGEESX-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1ccn2ncc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2n1 ZINC000114538984 524828654 /nfs/dbraw/zinc/82/86/54/524828654.db2.gz VCJOEKNMYZNYTC-UHFFFAOYSA-N 0 2 364.325 1.983 20 5 FDBDLN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000124727181 525059642 /nfs/dbraw/zinc/05/96/42/525059642.db2.gz DIWVCSQFLZDFIU-OAHLLOKOSA-N 0 2 360.370 1.620 20 5 FDBDLN CNS(=O)(=O)c1ccc2c(c1)nc(-c1ccc(O)c([N+](=O)[O-])c1)n2C ZINC000154887004 525674090 /nfs/dbraw/zinc/67/40/90/525674090.db2.gz KVEVIUNOIHBXTK-UHFFFAOYSA-N 0 2 362.367 1.762 20 5 FDBDLN CN(C)C(=O)c1cccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184814252 536185511 /nfs/dbraw/zinc/18/55/11/536185511.db2.gz FLCKONMKIQSVJG-UHFFFAOYSA-N 0 2 357.366 1.975 20 5 FDBDLN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185137244 536199893 /nfs/dbraw/zinc/19/98/93/536199893.db2.gz GJVBKXXQUQPVRE-NHYWBVRUSA-N 0 2 360.370 1.620 20 5 FDBDLN CN(C)c1noc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000188051623 536281226 /nfs/dbraw/zinc/28/12/26/536281226.db2.gz MMKCUPXFVPICPO-UHFFFAOYSA-N 0 2 361.767 1.176 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000272361487 537271454 /nfs/dbraw/zinc/27/14/54/537271454.db2.gz FKBLRVJZNCYLRY-DOMZBBRYSA-N 0 2 362.338 1.858 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c(F)c1 ZINC000194997175 537359952 /nfs/dbraw/zinc/35/99/52/537359952.db2.gz PHBOPEKWHRMREG-UHFFFAOYSA-N 0 2 369.256 1.689 20 5 FDBDLN O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1O ZINC000375992953 537816419 /nfs/dbraw/zinc/81/64/19/537816419.db2.gz OKHDCIZWOPPRNH-ZDUSSCGKSA-N 0 2 370.321 1.814 20 5 FDBDLN CCCn1nccc1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416416121 537831847 /nfs/dbraw/zinc/83/18/47/537831847.db2.gz KBGNEYVOSZAILV-UHFFFAOYSA-N 0 2 368.371 1.789 20 5 FDBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)o1 ZINC000416419176 537837323 /nfs/dbraw/zinc/83/73/23/537837323.db2.gz UCYGQPLMIMWLLM-UHFFFAOYSA-N 0 2 370.343 1.518 20 5 FDBDLN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000446957882 538334302 /nfs/dbraw/zinc/33/43/02/538334302.db2.gz BJUGOPLWHYCPKM-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1C ZINC000469021329 538773347 /nfs/dbraw/zinc/77/33/47/538773347.db2.gz SKPKGQVPJQUVGG-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN O=C(N=c1ccn(CCc2ccncc2)[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469627410 538805848 /nfs/dbraw/zinc/80/58/48/538805848.db2.gz LMFJWRKCMIJONT-UHFFFAOYSA-N 0 2 353.338 2.387 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000569931900 549100004 /nfs/dbraw/zinc/10/00/04/549100004.db2.gz PPGXUEGNPGIBGG-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000578626578 550784314 /nfs/dbraw/zinc/78/43/14/550784314.db2.gz WHWHZYRCHFNAJN-UHFFFAOYSA-N 0 2 351.388 1.886 20 5 FDBDLN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000584306099 551478165 /nfs/dbraw/zinc/47/81/65/551478165.db2.gz RRMOSAYPKJTAFS-ZETCQYMHSA-N 0 2 369.321 1.832 20 5 FDBDLN Cc1cc(NC(=O)c2nc(-c3ccc([N+](=O)[O-])c4c3CCCN4)no2)no1 ZINC000590778775 551815715 /nfs/dbraw/zinc/81/57/15/551815715.db2.gz ULGOMTFONMKTCH-UHFFFAOYSA-N 0 2 370.325 2.552 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000592775374 552027252 /nfs/dbraw/zinc/02/72/52/552027252.db2.gz CELGTHUEIIBMNS-LLVKDONJSA-N 0 2 355.778 1.501 20 5 FDBDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000594381605 552299448 /nfs/dbraw/zinc/29/94/48/552299448.db2.gz MZZWQCQOGHNDHP-JTQLQIEISA-N 0 2 352.265 1.312 20 5 FDBDLN CCOc1ccc(N2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)nn1 ZINC000598506558 552903617 /nfs/dbraw/zinc/90/36/17/552903617.db2.gz URRRRRIKJOOZAR-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)n1 ZINC000600668735 553297229 /nfs/dbraw/zinc/29/72/29/553297229.db2.gz PVNXFLFMNPYAIL-UHFFFAOYSA-N 0 2 357.417 1.809 20 5 FDBDLN C[C@](NC(=O)Cc1cn2c([nH+]1)CCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872626 553323013 /nfs/dbraw/zinc/32/30/13/553323013.db2.gz DKIBOEUCSKIGIN-GOSISDBHSA-N 0 2 372.381 1.786 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000603971176 553833894 /nfs/dbraw/zinc/83/38/94/553833894.db2.gz GWIVBIUEFHTBPL-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2O)cc1[N+](=O)[O-] ZINC000609160634 554344981 /nfs/dbraw/zinc/34/49/81/554344981.db2.gz WEOXPNWVHDGDDN-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC000609761302 554419467 /nfs/dbraw/zinc/41/94/67/554419467.db2.gz JGJROTLIWWYVBQ-UHFFFAOYSA-N 0 2 361.379 1.990 20 5 FDBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000616342450 555293365 /nfs/dbraw/zinc/29/33/65/555293365.db2.gz HEOPUADRMZKPRE-UHFFFAOYSA-N 0 2 351.340 1.506 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000619507435 555792577 /nfs/dbraw/zinc/79/25/77/555792577.db2.gz SFOWDGQRXSGDLR-UHFFFAOYSA-N 0 2 370.343 1.211 20 5 FDBDLN CCOCC[NH+]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737177392 600269239 /nfs/dbraw/zinc/26/92/39/600269239.db2.gz XLYJFPTZLYXCEU-UHFFFAOYSA-N 0 2 351.359 1.087 20 5 FDBDLN C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000736815325 601109285 /nfs/dbraw/zinc/10/92/85/601109285.db2.gz ZMPLVDDNMOZEGQ-ABAIWWIYSA-N 0 2 363.370 1.086 20 5 FDBDLN C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000739158636 602719432 /nfs/dbraw/zinc/71/94/32/602719432.db2.gz VCGRPDLSGBKHMO-LLVKDONJSA-N 0 2 359.342 1.605 20 5 FDBDLN O=C([O-])N1CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000740500034 603325276 /nfs/dbraw/zinc/32/52/76/603325276.db2.gz OJXJPPHFKDKGMK-LLVKDONJSA-N 0 2 368.415 1.414 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828500848 604409009 /nfs/dbraw/zinc/40/90/09/604409009.db2.gz PXMHZOCHQIYICB-GFCCVEGCSA-N 0 2 370.793 1.201 20 5 FDBDLN C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828500848 604409010 /nfs/dbraw/zinc/40/90/10/604409010.db2.gz PXMHZOCHQIYICB-GFCCVEGCSA-N 0 2 370.793 1.201 20 5 FDBDLN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000824755271 608015037 /nfs/dbraw/zinc/01/50/37/608015037.db2.gz KTBYWCTVYIDRGC-VIFPVBQESA-N 0 2 370.325 1.887 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cs1 ZINC000120181537 671685543 /nfs/dbraw/zinc/68/55/43/671685543.db2.gz KJYOTUYWSIKFMU-UHFFFAOYSA-N 0 2 352.357 1.433 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)nn(C)c1C ZINC000328004041 676597118 /nfs/dbraw/zinc/59/71/18/676597118.db2.gz VEFBQUYDSWIOLE-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CCOC(=O)CC1(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000436477405 681696569 /nfs/dbraw/zinc/69/65/69/681696569.db2.gz LNRNCDMDVXRIOR-UHFFFAOYSA-N 0 2 358.372 1.831 20 5 FDBDLN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436716971 681718543 /nfs/dbraw/zinc/71/85/43/681718543.db2.gz UVJHFOVGPUBGBA-CYBMUJFWSA-N 0 2 363.757 1.780 20 5 FDBDLN CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436971839 681749672 /nfs/dbraw/zinc/74/96/72/681749672.db2.gz LGOGRVWHAGCWFH-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000437303330 681777526 /nfs/dbraw/zinc/77/75/26/681777526.db2.gz GZWQOXMANMPLFF-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000442339398 682145769 /nfs/dbraw/zinc/14/57/69/682145769.db2.gz BRBGVWPSCWOPJV-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000451109940 682820677 /nfs/dbraw/zinc/82/06/77/682820677.db2.gz XEFYEZWKBBGWIJ-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN COC(=O)CCc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000486586949 686915356 /nfs/dbraw/zinc/91/53/56/686915356.db2.gz NCEQYBZJJLIIKV-UHFFFAOYSA-N 0 2 371.396 1.958 20 5 FDBDLN COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)n[nH]2)cc1OC ZINC000502683139 688288818 /nfs/dbraw/zinc/28/88/18/688288818.db2.gz MIISHZZSYUVDJW-UHFFFAOYSA-N 0 2 351.319 1.307 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000521183628 690391385 /nfs/dbraw/zinc/39/13/85/690391385.db2.gz QIBZUNZZCYIJLC-SNVBAGLBSA-N 0 2 370.343 1.639 20 5 FDBDLN O=C(c1ccccc1O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000436757414 816698205 /nfs/dbraw/zinc/69/82/05/816698205.db2.gz UZNYHARSDOPFRE-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN O=C(NCc1nc(COc2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000436938779 816803423 /nfs/dbraw/zinc/80/34/23/816803423.db2.gz MUKLYQNCFTYYPW-UHFFFAOYSA-N 0 2 369.337 1.928 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1C(=O)c1cnn(C)c1 ZINC000456944283 867180792 /nfs/dbraw/zinc/18/07/92/867180792.db2.gz HTOFXKRHNWLSHH-NSHDSACASA-N 0 2 373.369 1.021 20 5 FDBDLN Cn1cnc([N+](=O)[O-])c1-c1noc(-c2nc[nH]c2C(=O)c2ccccc2)n1 ZINC000350245258 881160899 /nfs/dbraw/zinc/16/08/99/881160899.db2.gz LBIBZFRUISNNJH-UHFFFAOYSA-N 0 2 365.309 1.999 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c(F)c1 ZINC000921864146 892212401 /nfs/dbraw/zinc/21/24/01/892212401.db2.gz ZSSDASFVWVYVDB-CPCISQLKSA-N 0 2 372.296 1.980 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)NCC3(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CCC3)c2c1 ZINC001063589709 901014384 /nfs/dbraw/zinc/01/43/84/901014384.db2.gz GDVUAVZWLMYJLC-TZMCWYRMSA-N 0 2 371.397 1.305 20 5 FDBDLN C[C@H](CONC(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000807178669 940273617 /nfs/dbraw/zinc/27/36/17/940273617.db2.gz QXWBXNCNIRBPQH-SECBINFHSA-N 0 2 355.347 1.875 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000773089610 955544833 /nfs/dbraw/zinc/54/48/33/955544833.db2.gz ROYCVDMUCDVTCT-UHFFFAOYSA-N 0 2 361.339 1.493 20 5 FDBDLN CC[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595131539 979554415 /nfs/dbraw/zinc/55/44/15/979554415.db2.gz WVGWZHYDXAZOIB-CYBMUJFWSA-N 0 2 351.359 1.134 20 5 FDBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001597272487 987321602 /nfs/dbraw/zinc/32/16/02/987321602.db2.gz FJTZODSLYZXXGF-LBPRGKRZSA-N 0 2 364.383 1.856 20 5 FDBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001597272487 987321607 /nfs/dbraw/zinc/32/16/07/987321607.db2.gz FJTZODSLYZXXGF-LBPRGKRZSA-N 0 2 364.383 1.856 20 5 FDBDLN NC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCO3)s1 ZINC000363022980 988838351 /nfs/dbraw/zinc/83/83/51/988838351.db2.gz XNBLZKRISNQRSR-GHMZBOCLSA-N 0 2 373.390 1.905 20 5 FDBDLN O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000363279947 989058206 /nfs/dbraw/zinc/05/82/06/989058206.db2.gz GTPPHFNUXMVWOS-NOLJZWGESA-N 0 2 359.382 1.458 20 5 FDBDLN O=C(c1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])N1CCOCC1 ZINC000369958858 989341809 /nfs/dbraw/zinc/34/18/09/989341809.db2.gz HXJKHSFVMZVZDC-ZBFHGGJFSA-N 0 2 359.382 1.103 20 5 FDBDLN COc1cccc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599686449 990994624 /nfs/dbraw/zinc/99/46/24/990994624.db2.gz IXCPQKYJWXVCBH-INIZCTEOSA-N 0 2 359.338 1.957 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599591434 993689508 /nfs/dbraw/zinc/68/95/08/993689508.db2.gz ZFDMWHIZSQVOLD-AWEZNQCLSA-N 0 2 353.375 1.973 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC001599591434 993689511 /nfs/dbraw/zinc/68/95/11/993689511.db2.gz ZFDMWHIZSQVOLD-AWEZNQCLSA-N 0 2 353.375 1.973 20 5 FDBDLN O=C(NC1(c2nn[nH]n2)CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778285900 1005819552 /nfs/dbraw/zinc/81/95/52/1005819552.db2.gz QEZOEFKXBPQENW-UHFFFAOYSA-N 0 2 352.301 1.785 20 5 FDBDLN COC(=O)Cc1csc(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000523869521 539625171 /nfs/dbraw/zinc/62/51/71/539625171.db2.gz IYKHYLSHKIRGIQ-UHFFFAOYSA-N 0 2 351.340 1.749 20 5 FDBDLN CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274651739 181138901 /nfs/dbraw/zinc/13/89/01/181138901.db2.gz DQRXSLUROJODDQ-ZWNOBZJWSA-N 0 2 367.427 1.976 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(O)(Cc2ccncc2)CC1 ZINC000535834890 540518527 /nfs/dbraw/zinc/51/85/27/540518527.db2.gz ZDVUDAIFXFROQN-UHFFFAOYSA-N 0 2 357.366 1.905 20 5 FDBDLN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538832574 540897952 /nfs/dbraw/zinc/89/79/52/540897952.db2.gz WCDYIDSJQYXTJI-UHFFFAOYSA-N 0 2 357.330 1.315 20 5 FDBDLN O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539925742 541008095 /nfs/dbraw/zinc/00/80/95/541008095.db2.gz UCTJOHBROWLGSR-UHFFFAOYSA-N 0 2 356.342 1.920 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000541779733 541263310 /nfs/dbraw/zinc/26/33/10/541263310.db2.gz GKDWEISGMQHSNX-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)cc1[N+](=O)[O-] ZINC000276908575 181682536 /nfs/dbraw/zinc/68/25/36/181682536.db2.gz MVHAPVSBTLZXSR-UHFFFAOYSA-N 0 2 367.387 1.084 20 5 FDBDLN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000283214370 182130364 /nfs/dbraw/zinc/13/03/64/182130364.db2.gz XROYWYXNGBUJKF-SECBINFHSA-N 0 2 363.399 1.737 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000545557084 541998824 /nfs/dbraw/zinc/99/88/24/541998824.db2.gz WYOJEMRFVFIUMS-UHFFFAOYSA-N 0 2 363.351 1.748 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000545556247 541999112 /nfs/dbraw/zinc/99/91/12/541999112.db2.gz AHOLGEVIDYMAID-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000545556247 541999117 /nfs/dbraw/zinc/99/91/17/541999117.db2.gz AHOLGEVIDYMAID-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@]1(C[C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])NC(=O)NC1=O ZINC000286351228 183046220 /nfs/dbraw/zinc/04/62/20/183046220.db2.gz LMPDULQNSNXXKG-ZUZCIYMTSA-N 0 2 363.330 1.460 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000546599309 542178805 /nfs/dbraw/zinc/17/88/05/542178805.db2.gz TWUAYENZSLMVAR-UHFFFAOYSA-N 0 2 374.762 1.949 20 5 FDBDLN CC(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCSCC1 ZINC000549214716 542853230 /nfs/dbraw/zinc/85/32/30/542853230.db2.gz LZTUFIQRZZHLMK-UHFFFAOYSA-N 0 2 367.427 1.774 20 5 FDBDLN Cn1cc(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000551478071 543290310 /nfs/dbraw/zinc/29/03/10/543290310.db2.gz XJPWKMPFCHSOKI-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000553283344 543603414 /nfs/dbraw/zinc/60/34/14/543603414.db2.gz VCJZRWVFGGZIJL-ZDUSSCGKSA-N 0 2 351.359 1.010 20 5 FDBDLN CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000281798325 258680567 /nfs/dbraw/zinc/68/05/67/258680567.db2.gz WCSIKPGBEVJMCB-QGZVFWFLSA-N 0 2 366.370 1.732 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000365306753 259830981 /nfs/dbraw/zinc/83/09/81/259830981.db2.gz NTXWZKGCCUOENH-UHFFFAOYSA-N 0 2 371.396 1.933 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)c([N+](=O)[O-])c1 ZINC000365320679 259832252 /nfs/dbraw/zinc/83/22/52/259832252.db2.gz PLRUICXZUOUWKP-UHFFFAOYSA-N 0 2 371.396 1.933 20 5 FDBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000367219433 260011703 /nfs/dbraw/zinc/01/17/03/260011703.db2.gz WVISPUNYWJQBGO-UHFFFAOYSA-N 0 2 361.379 1.677 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367539263 260057214 /nfs/dbraw/zinc/05/72/14/260057214.db2.gz YAINOFWBBITJQS-OAHLLOKOSA-N 0 2 373.340 1.970 20 5 FDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000368375510 260174293 /nfs/dbraw/zinc/17/42/93/260174293.db2.gz VXLDELGGYRCAPW-LLVKDONJSA-N 0 2 356.338 1.683 20 5 FDBDLN Cc1c([C@@H]2[C@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC(=O)N2C)cnn1C ZINC000373895800 261050443 /nfs/dbraw/zinc/05/04/43/261050443.db2.gz PPGIVOVWFZBGCU-BZNIZROVSA-N 0 2 373.369 1.500 20 5 FDBDLN O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031937958 519470555 /nfs/dbraw/zinc/47/05/55/519470555.db2.gz HOMPUGMHSGIHEK-INIZCTEOSA-N 0 2 367.427 1.238 20 5 FDBDLN CCCCn1c2nc(-c3ccc(O)c([N+](=O)[O-])c3)n(C)c2c(=O)[nH]c1=O ZINC000042979603 521803849 /nfs/dbraw/zinc/80/38/49/521803849.db2.gz IZOMOLTZGJQAFZ-UHFFFAOYSA-N 0 2 359.342 1.504 20 5 FDBDLN Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055596636 523831179 /nfs/dbraw/zinc/83/11/79/523831179.db2.gz MKSMSKOQBUDNMO-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n(C)n1 ZINC000129651105 525677935 /nfs/dbraw/zinc/67/79/35/525677935.db2.gz AORFFTZYVMTXNO-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n(C)n1 ZINC000129658700 525679842 /nfs/dbraw/zinc/67/98/42/525679842.db2.gz ASLUSMVEYAOMRP-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000129726016 525685084 /nfs/dbraw/zinc/68/50/84/525685084.db2.gz OZBUDYRFRPDVMJ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170748225 525700135 /nfs/dbraw/zinc/70/01/35/525700135.db2.gz LMWZJQMKUZOPGR-UHFFFAOYSA-N 0 2 356.294 1.956 20 5 FDBDLN O=C(c1cccs1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181804735 525937105 /nfs/dbraw/zinc/93/71/05/525937105.db2.gz AXEKTIIVXMFTAR-UHFFFAOYSA-N 0 2 361.379 1.960 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000133858782 526101534 /nfs/dbraw/zinc/10/15/34/526101534.db2.gz CTNJAZTVYXDQRD-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000298838779 537340669 /nfs/dbraw/zinc/34/06/69/537340669.db2.gz DXRQDKCPVZFIPB-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294461002 537699741 /nfs/dbraw/zinc/69/97/41/537699741.db2.gz HLLZTHCEFYNUIX-LBPRGKRZSA-N 0 2 353.400 1.684 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)C2)o1 ZINC000285552744 537729500 /nfs/dbraw/zinc/72/95/00/537729500.db2.gz ISJPDXBRVWUMHI-SSDOTTSWSA-N 0 2 370.163 1.813 20 5 FDBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC1(c2nnc[nH]2)CCC1 ZINC000285677101 537745113 /nfs/dbraw/zinc/74/51/13/537745113.db2.gz QGTIIVOHFNPJBY-UHFFFAOYSA-N 0 2 357.779 1.724 20 5 FDBDLN COCCn1cc2c(n1)[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000376075502 537830112 /nfs/dbraw/zinc/83/01/12/537830112.db2.gz LJQPGRDVQWZLMC-AWEZNQCLSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000409615562 537866508 /nfs/dbraw/zinc/86/65/08/537866508.db2.gz KNGHARUHVOAPPK-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000369966399 538084134 /nfs/dbraw/zinc/08/41/34/538084134.db2.gz ZAFAEVLLZVGCSD-ZDUSSCGKSA-N 0 2 351.359 1.512 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000446963189 538335404 /nfs/dbraw/zinc/33/54/04/538335404.db2.gz VJCPTSSOFJITRK-UHFFFAOYSA-N 0 2 362.751 1.969 20 5 FDBDLN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)nc1 ZINC000456988823 538465522 /nfs/dbraw/zinc/46/55/22/538465522.db2.gz UZERPVHRHQBTNN-UHFFFAOYSA-N 0 2 358.354 1.666 20 5 FDBDLN COC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000479142975 538787914 /nfs/dbraw/zinc/78/79/14/538787914.db2.gz RVEJSCGAIJVBID-SNVBAGLBSA-N 0 2 360.285 1.980 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000573869523 550224694 /nfs/dbraw/zinc/22/46/94/550224694.db2.gz NNEDRGDBMRJGOO-LBPRGKRZSA-N 0 2 360.370 1.085 20 5 FDBDLN Cc1nc([C@@](C)(NS(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)no1 ZINC000575818216 550479339 /nfs/dbraw/zinc/47/93/39/550479339.db2.gz UIMSHCJHQKMMRX-ZDUSSCGKSA-N 0 2 353.360 1.285 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c[nH]1 ZINC000585731013 551589333 /nfs/dbraw/zinc/58/93/33/551589333.db2.gz XUGYVTZTQVTUKE-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588852212 551693185 /nfs/dbraw/zinc/69/31/85/551693185.db2.gz FKRUITSTRDOMAB-UHFFFAOYSA-N 0 2 357.282 1.545 20 5 FDBDLN COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591652644 551891949 /nfs/dbraw/zinc/89/19/49/551891949.db2.gz MZTUXZITUFPAAR-QGZVFWFLSA-N 0 2 374.353 1.486 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c[nH]1 ZINC000592385204 551987047 /nfs/dbraw/zinc/98/70/47/551987047.db2.gz RXXWNWGGMZIKST-UHFFFAOYSA-N 0 2 368.371 1.858 20 5 FDBDLN CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000593738258 552187832 /nfs/dbraw/zinc/18/78/32/552187832.db2.gz YSQXDVJOVKUQSR-CYBMUJFWSA-N 0 2 356.400 1.692 20 5 FDBDLN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000593738258 552187833 /nfs/dbraw/zinc/18/78/33/552187833.db2.gz YSQXDVJOVKUQSR-CYBMUJFWSA-N 0 2 356.400 1.692 20 5 FDBDLN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000593856632 552210481 /nfs/dbraw/zinc/21/04/81/552210481.db2.gz FEGKFMDIEBZHJK-CYBMUJFWSA-N 0 2 366.370 1.921 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594706100 552359737 /nfs/dbraw/zinc/35/97/37/552359737.db2.gz OAVZTZSYEAAFKQ-NHYWBVRUSA-N 0 2 374.415 1.787 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594705842 552359836 /nfs/dbraw/zinc/35/98/36/552359836.db2.gz OAVZTZSYEAAFKQ-ABAIWWIYSA-N 0 2 374.415 1.787 20 5 FDBDLN Cc1cnn(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594729750 552365733 /nfs/dbraw/zinc/36/57/33/552365733.db2.gz WXKVKNQTXTVLSE-UHFFFAOYSA-N 0 2 354.344 1.209 20 5 FDBDLN CCn1nc(C)cc1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000600669769 553297515 /nfs/dbraw/zinc/29/75/15/553297515.db2.gz DIPARYXIRXMINJ-UHFFFAOYSA-N 0 2 368.371 1.707 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)ccc1[O-] ZINC000603632765 553807783 /nfs/dbraw/zinc/80/77/83/553807783.db2.gz WWCRPYBJWQXDLK-UHFFFAOYSA-N 0 2 366.399 1.354 20 5 FDBDLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000609849029 554428783 /nfs/dbraw/zinc/42/87/83/554428783.db2.gz VJXSGJDPGLOODT-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610139911 554466845 /nfs/dbraw/zinc/46/68/45/554466845.db2.gz UCVMUUDDORRJAH-UHFFFAOYSA-N 0 2 364.379 1.976 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619506883 555791823 /nfs/dbraw/zinc/79/18/23/555791823.db2.gz BMORRXMPKJWTJV-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000481842883 568146661 /nfs/dbraw/zinc/14/66/61/568146661.db2.gz HTWQHDPZCGPHBF-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633745 568168811 /nfs/dbraw/zinc/16/88/11/568168811.db2.gz HYFNOEMNZZGNPC-UHFFFAOYSA-N 0 2 367.339 1.209 20 5 FDBDLN CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436634520 568203636 /nfs/dbraw/zinc/20/36/36/568203636.db2.gz LUTVMFXTROGNAU-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN COCc1nc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)sc1C(=O)OC ZINC000436664563 568264221 /nfs/dbraw/zinc/26/42/21/568264221.db2.gz JTWOMCLLCWUQEM-UHFFFAOYSA-N 0 2 367.339 1.942 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000832958442 601258419 /nfs/dbraw/zinc/25/84/19/601258419.db2.gz FOOPMVIYMIXGKA-GFCCVEGCSA-N 0 2 371.415 1.073 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178806 602777491 /nfs/dbraw/zinc/77/74/91/602777491.db2.gz SCTMIELUZPBZMD-GRYCIOLGSA-N 0 2 350.375 1.900 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178806 602777493 /nfs/dbraw/zinc/77/74/93/602777493.db2.gz SCTMIELUZPBZMD-GRYCIOLGSA-N 0 2 350.375 1.900 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CNC(=O)[O-])C1 ZINC000828506062 605740369 /nfs/dbraw/zinc/74/03/69/605740369.db2.gz COCRTAAASWVDIB-SNVBAGLBSA-N 0 2 371.781 1.664 20 5 FDBDLN C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CNC(=O)[O-])C1 ZINC000828506062 605740376 /nfs/dbraw/zinc/74/03/76/605740376.db2.gz COCRTAAASWVDIB-SNVBAGLBSA-N 0 2 371.781 1.664 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000279051226 675236308 /nfs/dbraw/zinc/23/63/08/675236308.db2.gz ONQKZSCGOPBWGC-LBPRGKRZSA-N 0 2 361.320 1.957 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000298834882 676499137 /nfs/dbraw/zinc/49/91/37/676499137.db2.gz BTDKDSLPAKPVFJ-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2nc(C3CC3)ns2)cc1 ZINC000426519944 680959531 /nfs/dbraw/zinc/95/95/31/680959531.db2.gz BRYIXCBCDDKYFV-UHFFFAOYSA-N 0 2 369.428 1.136 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)cnc1Nc1ccn(CCN2CCOCC2)n1 ZINC000434949467 681545418 /nfs/dbraw/zinc/54/54/18/681545418.db2.gz CTTBYZUSBWPEAY-UHFFFAOYSA-N 0 2 352.782 1.916 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437918636 681821228 /nfs/dbraw/zinc/82/12/28/681821228.db2.gz JYKFHLKBJPLXMS-UHFFFAOYSA-N 0 2 352.372 1.685 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000438785074 681879329 /nfs/dbraw/zinc/87/93/29/681879329.db2.gz KKZNAAGHCWPFRW-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000483438015 686507607 /nfs/dbraw/zinc/50/76/07/686507607.db2.gz AAACEDIYTZSGNJ-UHFFFAOYSA-N 0 2 355.328 1.396 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1 ZINC000494460137 687547206 /nfs/dbraw/zinc/54/72/06/687547206.db2.gz XOAFUIRFLIVREF-UHFFFAOYSA-N 0 2 364.383 1.767 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000507099007 688613837 /nfs/dbraw/zinc/61/38/37/688613837.db2.gz XKPOOSCJXLBNQY-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(OCCO)cc2)c([N+](=O)[O-])c1 ZINC000518917435 690168817 /nfs/dbraw/zinc/16/88/17/690168817.db2.gz XGHNEENFHGUVOE-UHFFFAOYSA-N 0 2 368.367 1.775 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376069470 785769691 /nfs/dbraw/zinc/76/96/91/785769691.db2.gz RMSGGPFBNXASMV-LLVKDONJSA-N 0 2 356.338 1.340 20 5 FDBDLN COc1ccc(N2CC(=O)C(C(=O)NCCn3cc([N+](=O)[O-])cn3)=N2)cc1 ZINC000500282106 795776218 /nfs/dbraw/zinc/77/62/18/795776218.db2.gz ZWLCEVYIEIVYRC-UHFFFAOYSA-N 0 2 372.341 1.121 20 5 FDBDLN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436862799 816764903 /nfs/dbraw/zinc/76/49/03/816764903.db2.gz PVOHWHBNNNEXNB-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN CCOc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000516772618 817002356 /nfs/dbraw/zinc/00/23/56/817002356.db2.gz DERGNBZDHWMXMV-UHFFFAOYSA-N 0 2 361.358 1.837 20 5 FDBDLN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490581208 861613239 /nfs/dbraw/zinc/61/32/39/861613239.db2.gz CENYEFJAHMZHIC-RYUDHWBXSA-N 0 2 361.354 1.804 20 5 FDBDLN Cc1c(Cc2noc(Cn3[nH]cc4c(=O)ncnc3-4)n2)cccc1[N+](=O)[O-] ZINC000762319912 875746996 /nfs/dbraw/zinc/74/69/96/875746996.db2.gz MQZKOXOORGJSAU-UHFFFAOYSA-N 0 2 367.325 1.310 20 5 FDBDLN COc1ccnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000273201813 911211254 /nfs/dbraw/zinc/21/12/54/911211254.db2.gz KBGQIQLYVJDZFK-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000735645684 924475277 /nfs/dbraw/zinc/47/52/77/924475277.db2.gz MIIUKRWPJRAXNR-UHFFFAOYSA-N 0 2 363.717 1.547 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCCn1cc([N+](=O)[O-])cn1 ZINC000786767032 932023769 /nfs/dbraw/zinc/02/37/69/932023769.db2.gz ZHSCXASAIAMOFJ-VIFPVBQESA-N 0 2 352.269 1.038 20 5 FDBDLN CCn1nc(C)c(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000819890448 943777012 /nfs/dbraw/zinc/77/70/12/943777012.db2.gz ADTKNGXELDMXOV-UHFFFAOYSA-N 0 2 359.795 1.647 20 5 FDBDLN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773649347 963788416 /nfs/dbraw/zinc/78/84/16/963788416.db2.gz JMWUAOPDTGECHW-JTQLQIEISA-N 0 2 360.374 1.504 20 5 FDBDLN Cc1c(Br)cc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000774985321 964336351 /nfs/dbraw/zinc/33/63/51/964336351.db2.gz KFIHQJRPBCAESF-UHFFFAOYSA-N 0 2 357.120 1.846 20 5 FDBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)[O-] ZINC001595213029 980003501 /nfs/dbraw/zinc/00/35/01/980003501.db2.gz RYZKAYKGACUQFQ-UKRRQHHQSA-N 0 2 360.370 1.630 20 5 FDBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)[O-] ZINC001595213027 980003548 /nfs/dbraw/zinc/00/35/48/980003548.db2.gz RYZKAYKGACUQFQ-HIFRSBDPSA-N 0 2 360.370 1.630 20 5 FDBDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001599958722 985737269 /nfs/dbraw/zinc/73/72/69/985737269.db2.gz GKBMCTDCJKBOIM-LLVKDONJSA-N 0 2 373.369 1.694 20 5 FDBDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001599958722 985737276 /nfs/dbraw/zinc/73/72/76/985737276.db2.gz GKBMCTDCJKBOIM-LLVKDONJSA-N 0 2 373.369 1.694 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438951 986768775 /nfs/dbraw/zinc/76/87/75/986768775.db2.gz QVOGHDZEKCNIGQ-CLAHSXSESA-N 0 2 357.750 1.097 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438951 986768780 /nfs/dbraw/zinc/76/87/80/986768780.db2.gz QVOGHDZEKCNIGQ-CLAHSXSESA-N 0 2 357.750 1.097 20 5 FDBDLN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000363279946 989058548 /nfs/dbraw/zinc/05/85/48/989058548.db2.gz GTPPHFNUXMVWOS-INWMFGNUSA-N 0 2 359.382 1.458 20 5 FDBDLN O=C(c1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])N1CCOCC1 ZINC000369958855 989341911 /nfs/dbraw/zinc/34/19/11/989341911.db2.gz HXJKHSFVMZVZDC-HOCLYGCPSA-N 0 2 359.382 1.103 20 5 FDBDLN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001599879057 989459401 /nfs/dbraw/zinc/45/94/01/989459401.db2.gz ZLSNXMNJKJOTEJ-VXGBXAGGSA-N 0 2 356.400 1.554 20 5 FDBDLN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001599879057 989459404 /nfs/dbraw/zinc/45/94/04/989459404.db2.gz ZLSNXMNJKJOTEJ-VXGBXAGGSA-N 0 2 356.400 1.554 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000194996135 178232880 /nfs/dbraw/zinc/23/28/80/178232880.db2.gz DAZQTOOPICPRMI-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN CCNC(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000530748570 540035003 /nfs/dbraw/zinc/03/50/03/540035003.db2.gz XQISWNHTERWMGJ-UHFFFAOYSA-N 0 2 373.365 1.745 20 5 FDBDLN CCc1nn(C)cc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000275040799 181223618 /nfs/dbraw/zinc/22/36/18/181223618.db2.gz VUQIAVXQGWMREC-UHFFFAOYSA-N 0 2 358.351 1.839 20 5 FDBDLN O=C(COc1cccc([N+](=O)[O-])c1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535929671 540529507 /nfs/dbraw/zinc/52/95/07/540529507.db2.gz NBPPICVZTAOMQU-UHFFFAOYSA-N 0 2 357.351 1.948 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1COCC(=O)N1Cc1ccccc1 ZINC000537770506 540772838 /nfs/dbraw/zinc/77/28/38/540772838.db2.gz YPIHAHHHJQQXLM-OAHLLOKOSA-N 0 2 371.349 1.667 20 5 FDBDLN NS(=O)(=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000537770301 540773131 /nfs/dbraw/zinc/77/31/31/540773131.db2.gz OJTNQUMOXCPOIO-UHFFFAOYSA-N 0 2 357.369 1.191 20 5 FDBDLN Cc1ccnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000541834566 541276431 /nfs/dbraw/zinc/27/64/31/541276431.db2.gz MIKSHHNLKYEDSA-UHFFFAOYSA-N 0 2 352.328 1.265 20 5 FDBDLN CN(C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)S(C)(=O)=O ZINC000286224777 183018578 /nfs/dbraw/zinc/01/85/78/183018578.db2.gz JLDVTDADEBLLDC-LLVKDONJSA-N 0 2 371.415 1.044 20 5 FDBDLN COCCOCCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000269919412 674135246 /nfs/dbraw/zinc/13/52/46/674135246.db2.gz AAYDJPOJJQXUFU-UHFFFAOYSA-N 0 2 370.387 1.390 20 5 FDBDLN COCCOCCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000269919412 674135242 /nfs/dbraw/zinc/13/52/42/674135242.db2.gz AAYDJPOJJQXUFU-UHFFFAOYSA-N 0 2 370.387 1.390 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000131508982 173205562 /nfs/dbraw/zinc/20/55/62/173205562.db2.gz JFTLFQQDBHDLQU-LBPRGKRZSA-N 0 2 352.372 1.862 20 5 FDBDLN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280855457 258626243 /nfs/dbraw/zinc/62/62/43/258626243.db2.gz CXGQKIYPHGSDTN-KOLCDFICSA-N 0 2 353.400 1.730 20 5 FDBDLN CCCc1n[nH]c(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000555538572 543968093 /nfs/dbraw/zinc/96/80/93/543968093.db2.gz XALOUNIQRIJNRA-MRVPVSSYSA-N 0 2 350.335 1.379 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000555538572 543968096 /nfs/dbraw/zinc/96/80/96/543968096.db2.gz XALOUNIQRIJNRA-MRVPVSSYSA-N 0 2 350.335 1.379 20 5 FDBDLN CCCc1n[nH]c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000555538572 543968097 /nfs/dbraw/zinc/96/80/97/543968097.db2.gz XALOUNIQRIJNRA-MRVPVSSYSA-N 0 2 350.335 1.379 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000556305341 544130084 /nfs/dbraw/zinc/13/00/84/544130084.db2.gz YDSWAEGIZLQZRP-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN Cc1noc(C)c1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330604335 259153205 /nfs/dbraw/zinc/15/32/05/259153205.db2.gz YAYPDJOWUUGRQP-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c[nH+]2)CCO1 ZINC000060690895 522411295 /nfs/dbraw/zinc/41/12/95/522411295.db2.gz VRXQFBQWSBMMDJ-GFCCVEGCSA-N 0 2 372.381 1.851 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000055546095 523824172 /nfs/dbraw/zinc/82/41/72/523824172.db2.gz XLVGNGKHBLKLTQ-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)oc1C ZINC000185109128 536198930 /nfs/dbraw/zinc/19/89/30/536198930.db2.gz SRFRIOGKOKMXEQ-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185845026 536218996 /nfs/dbraw/zinc/21/89/96/536218996.db2.gz RZYJCRUCBMYPMP-NSHDSACASA-N 0 2 368.349 1.829 20 5 FDBDLN O=C(CCn1cc([N+](=O)[O-])cn1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186674734 536240919 /nfs/dbraw/zinc/24/09/19/536240919.db2.gz UBWDNRZGCKEIHS-UHFFFAOYSA-N 0 2 371.357 1.195 20 5 FDBDLN COCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298905205 537364148 /nfs/dbraw/zinc/36/41/48/537364148.db2.gz CLZOLHFHWGYFDP-UHFFFAOYSA-N 0 2 365.386 1.305 20 5 FDBDLN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000285969501 537389737 /nfs/dbraw/zinc/38/97/37/537389737.db2.gz BAGUDOZKYVTVQC-ZDUSSCGKSA-N 0 2 362.260 1.868 20 5 FDBDLN CCc1n[nH]c(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)c1C ZINC000416419415 537837761 /nfs/dbraw/zinc/83/77/61/537837761.db2.gz VAHZLBFAKAZHPJ-UHFFFAOYSA-N 0 2 368.371 1.776 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000416419735 537837969 /nfs/dbraw/zinc/83/79/69/537837969.db2.gz VXUVSVFJDNEEMS-UHFFFAOYSA-N 0 2 368.327 1.443 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000409617304 537866832 /nfs/dbraw/zinc/86/68/32/537866832.db2.gz SNXCCSGFZQADPX-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN O=C(N=c1nc2n([nH]1)CCCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457161231 538478316 /nfs/dbraw/zinc/47/83/16/538478316.db2.gz VMWXVBSZWBBLRX-UHFFFAOYSA-N 0 2 353.342 1.961 20 5 FDBDLN Cc1ccsc1-c1nc(=NC(=O)c2nn(C)cc2[N+](=O)[O-])s[nH]1 ZINC000472248917 538610348 /nfs/dbraw/zinc/61/03/48/538610348.db2.gz GHCNLUOLJVRHQM-UHFFFAOYSA-N 0 2 350.385 1.891 20 5 FDBDLN O=C(Cn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483449526 538703002 /nfs/dbraw/zinc/70/30/02/538703002.db2.gz ZCBBFEORWFRFFO-UHFFFAOYSA-N 0 2 356.294 1.355 20 5 FDBDLN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)co1 ZINC000560760915 545596954 /nfs/dbraw/zinc/59/69/54/545596954.db2.gz ODDPLYFQCWUOFZ-UHFFFAOYSA-N 0 2 355.328 1.396 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000565142758 547218312 /nfs/dbraw/zinc/21/83/12/547218312.db2.gz VZHVFFXBGGGKHG-IFUGULHKSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000569227104 548842452 /nfs/dbraw/zinc/84/24/52/548842452.db2.gz XHOHIVPHATUSDA-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000569227104 548842454 /nfs/dbraw/zinc/84/24/54/548842454.db2.gz XHOHIVPHATUSDA-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])n[nH]1 ZINC000569781105 549044634 /nfs/dbraw/zinc/04/46/34/549044634.db2.gz WTSGIVPPVJFXTN-IUCAKERBSA-N 0 2 354.392 1.661 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnccc2-n2ccnn2)c1 ZINC000588948355 551700493 /nfs/dbraw/zinc/70/04/93/551700493.db2.gz CUTSZXNYKNYVLF-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cn1cc([C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000593722492 552182896 /nfs/dbraw/zinc/18/28/96/552182896.db2.gz RSQLBRPPGWMTMM-OAHLLOKOSA-N 0 2 360.370 1.668 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+](CC(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000594526575 552327926 /nfs/dbraw/zinc/32/79/26/552327926.db2.gz CBXXPOVFQLXQNI-UHFFFAOYSA-N 0 2 351.359 1.871 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC000594526575 552327929 /nfs/dbraw/zinc/32/79/29/552327929.db2.gz CBXXPOVFQLXQNI-UHFFFAOYSA-N 0 2 351.359 1.871 20 5 FDBDLN CC(C)Oc1cncc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000594579243 552336946 /nfs/dbraw/zinc/33/69/46/552336946.db2.gz LECLKMKIZWZYPW-UHFFFAOYSA-N 0 2 366.399 2.156 20 5 FDBDLN Cc1noc(CS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] ZINC000596018613 552644665 /nfs/dbraw/zinc/64/46/65/552644665.db2.gz AILWSHCLLODESQ-UHFFFAOYSA-N 0 2 360.369 1.269 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597837995 552838949 /nfs/dbraw/zinc/83/89/49/552838949.db2.gz ZXINLVPYHUGSOC-LBPRGKRZSA-N 0 2 352.343 1.483 20 5 FDBDLN CS(=O)(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCC1 ZINC000598203925 552875442 /nfs/dbraw/zinc/87/54/42/552875442.db2.gz FPKLAAZMBSWZPN-UHFFFAOYSA-N 0 2 356.400 1.778 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000609218753 554350478 /nfs/dbraw/zinc/35/04/78/554350478.db2.gz NFSQUARYDNZDFF-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000619623397 555811873 /nfs/dbraw/zinc/81/18/73/555811873.db2.gz QGXIFJYKRJQAFJ-UHFFFAOYSA-N 0 2 352.328 1.113 20 5 FDBDLN NS(=O)(=O)Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436635836 568177951 /nfs/dbraw/zinc/17/79/51/568177951.db2.gz RXDITGVFMCZVBC-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN CN(C)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC000830631602 601473363 /nfs/dbraw/zinc/47/33/63/601473363.db2.gz RTSYUFLOQAMDNH-UHFFFAOYSA-N 0 2 366.355 1.555 20 5 FDBDLN CN(C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739656564 602484181 /nfs/dbraw/zinc/48/41/81/602484181.db2.gz NGUZVGDSYJKUHK-LBPRGKRZSA-N 0 2 373.369 1.852 20 5 FDBDLN Cc1cc(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000740053001 602492635 /nfs/dbraw/zinc/49/26/35/602492635.db2.gz QGXMDFBRMYQROB-UHFFFAOYSA-N 0 2 350.375 1.271 20 5 FDBDLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1ncccn1 ZINC000038039649 670882092 /nfs/dbraw/zinc/88/20/92/670882092.db2.gz XGIGBHDZPKLTSH-UHFFFAOYSA-N 0 2 359.161 1.948 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2ncccn2)n1 ZINC000120042773 671682990 /nfs/dbraw/zinc/68/29/90/671682990.db2.gz OTESKJICZCKHEZ-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN COCCN(C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289794620 676179499 /nfs/dbraw/zinc/17/94/99/676179499.db2.gz IXNZEISXWFFFQT-UHFFFAOYSA-N 0 2 369.802 1.244 20 5 FDBDLN O=C(Nc1ccnn1-c1ccc(Br)cn1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000366190246 677420223 /nfs/dbraw/zinc/42/02/23/677420223.db2.gz KHWRSIRLKDQCJS-IUCAKERBSA-N 0 2 352.148 1.634 20 5 FDBDLN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436877882 681740604 /nfs/dbraw/zinc/74/06/04/681740604.db2.gz CJFHYHWZISFUDH-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436922272 681744320 /nfs/dbraw/zinc/74/43/20/681744320.db2.gz MJCLYCFWLVPQBY-UHFFFAOYSA-N 0 2 365.367 1.220 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cc1[N+](=O)[O-] ZINC000475793199 685642940 /nfs/dbraw/zinc/64/29/40/685642940.db2.gz FVEKMIPNLDJJQE-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000507102675 688613880 /nfs/dbraw/zinc/61/38/80/688613880.db2.gz JSZDJHAQOQDFEY-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000508110507 688709641 /nfs/dbraw/zinc/70/96/41/688709641.db2.gz QBBJSKTZCLZXAZ-UHFFFAOYSA-N 0 2 360.373 1.272 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccnn2C)cc([N+](=O)[O-])c1C ZINC000523903031 694547030 /nfs/dbraw/zinc/54/70/30/694547030.db2.gz ZXNOKNSJBAKFOM-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN NC(=O)CCNC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000511150584 782981482 /nfs/dbraw/zinc/98/14/82/782981482.db2.gz AGUJQVGBYJGDNG-UHFFFAOYSA-N 0 2 372.337 1.158 20 5 FDBDLN CCn1nccc1N1CCC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000376013212 785528573 /nfs/dbraw/zinc/52/85/73/785528573.db2.gz NAEBEWSXGFTKQC-ZDUSSCGKSA-N 0 2 373.369 1.442 20 5 FDBDLN O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000513377048 811444810 /nfs/dbraw/zinc/44/48/10/811444810.db2.gz RRDYZTDJHGAAQS-UHFFFAOYSA-N 0 2 371.275 1.951 20 5 FDBDLN O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436920199 816794906 /nfs/dbraw/zinc/79/49/06/816794906.db2.gz OILGDCFGIYKHQM-UHFFFAOYSA-N 0 2 374.284 1.748 20 5 FDBDLN COc1ccc(-n2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)nn2)cc1 ZINC000436996942 816840518 /nfs/dbraw/zinc/84/05/18/816840518.db2.gz DQEXBMBJCNUYPZ-UHFFFAOYSA-N 0 2 369.337 1.820 20 5 FDBDLN O=c1[nH]nc(CCCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])[nH]1 ZINC000447806517 828903988 /nfs/dbraw/zinc/90/39/88/828903988.db2.gz NETUKQPIWFEPMY-UHFFFAOYSA-N 0 2 362.390 1.295 20 5 FDBDLN O=c1ncnc2n(Cc3nc(Cc4ccccc4[N+](=O)[O-])no3)[nH]cc1-2 ZINC000761342356 865061561 /nfs/dbraw/zinc/06/15/61/865061561.db2.gz FURADSHYACPXLM-UHFFFAOYSA-N 0 2 353.298 1.002 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(F)nc1)OCCO2 ZINC000764541294 904966144 /nfs/dbraw/zinc/96/61/44/904966144.db2.gz DKZPZTXFGSRCPO-UHFFFAOYSA-N 0 2 355.303 1.701 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000816497188 942225040 /nfs/dbraw/zinc/22/50/40/942225040.db2.gz PVFUZIZRBVJGGZ-UHFFFAOYSA-N 0 2 367.358 1.012 20 5 FDBDLN Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000845435064 949202029 /nfs/dbraw/zinc/20/20/29/949202029.db2.gz JXXZBJGGLRAYHJ-LLVKDONJSA-N 0 2 366.399 1.864 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000773104262 956132794 /nfs/dbraw/zinc/13/27/94/956132794.db2.gz QXCARUCTWPNJDE-UHFFFAOYSA-N 0 2 360.355 1.425 20 5 FDBDLN C[NH+]1CCN(CCCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001345427256 962269275 /nfs/dbraw/zinc/26/92/75/962269275.db2.gz LGOZPVCGTJEFJX-UHFFFAOYSA-N 0 2 350.419 1.661 20 5 FDBDLN C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nn(C)cc1O ZINC001179919734 965045792 /nfs/dbraw/zinc/04/57/92/965045792.db2.gz AXPJWHOFPCJCEA-JTQLQIEISA-N 0 2 361.358 1.031 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)c([N+](=O)[O-])n1 ZINC000775099534 965074497 /nfs/dbraw/zinc/07/44/97/965074497.db2.gz GSNQQYUGAUOAJZ-UHFFFAOYSA-N 0 2 370.269 1.100 20 5 FDBDLN COC(=O)[C@](C)(NC(=O)C(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300956 972777318 /nfs/dbraw/zinc/77/73/18/972777318.db2.gz KWWZSBSSBMFRDA-BXKDBHETSA-N 0 2 352.240 2.000 20 5 FDBDLN COC(=O)[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300956 972777325 /nfs/dbraw/zinc/77/73/25/972777325.db2.gz KWWZSBSSBMFRDA-BXKDBHETSA-N 0 2 352.240 2.000 20 5 FDBDLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cc([N+](=O)[O-])n[nH]1 ZINC000794625735 973489665 /nfs/dbraw/zinc/48/96/65/973489665.db2.gz RTHMBNHGBPQFBC-UHFFFAOYSA-N 0 2 360.355 1.352 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000776203589 975118316 /nfs/dbraw/zinc/11/83/16/975118316.db2.gz CFUXDYCTBIGPEL-UHFFFAOYSA-N 0 2 367.358 1.875 20 5 FDBDLN CCOC(=O)N1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001596651946 984686202 /nfs/dbraw/zinc/68/62/02/984686202.db2.gz SKKVWOTYIGFJDB-UHFFFAOYSA-N 0 2 351.359 1.957 20 5 FDBDLN CCOC(=O)N1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001596651946 984686204 /nfs/dbraw/zinc/68/62/04/984686204.db2.gz SKKVWOTYIGFJDB-UHFFFAOYSA-N 0 2 351.359 1.957 20 5 FDBDLN C[C@@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589386699 986488804 /nfs/dbraw/zinc/48/88/04/986488804.db2.gz BDTQEIBKRDTAJV-RNCFNFMXSA-N 0 2 350.306 1.304 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000269167600 180231526 /nfs/dbraw/zinc/23/15/26/180231526.db2.gz QLINBTLQEJFVEG-IUODEOHRSA-N 0 2 362.338 1.858 20 5 FDBDLN CCCCNC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274710793 181151579 /nfs/dbraw/zinc/15/15/79/181151579.db2.gz XWWBZKCETDCMLS-LBPRGKRZSA-N 0 2 353.400 1.732 20 5 FDBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000532648118 540181010 /nfs/dbraw/zinc/18/10/10/540181010.db2.gz LWGCBCFPDUOMIM-UHFFFAOYSA-N 0 2 351.340 1.967 20 5 FDBDLN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536198169 540564743 /nfs/dbraw/zinc/56/47/43/540564743.db2.gz OVDLMEVXMSOARJ-ZDUSSCGKSA-N 0 2 371.415 1.833 20 5 FDBDLN O=C(CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)Nc1nnc(C2CC2)o1 ZINC000538870832 540902685 /nfs/dbraw/zinc/90/26/85/540902685.db2.gz ASCAVGQKWFJNBD-UHFFFAOYSA-N 0 2 361.314 1.918 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000543445350 541592956 /nfs/dbraw/zinc/59/29/56/541592956.db2.gz IEVPMAUKDGDCPT-UHFFFAOYSA-N 0 2 363.330 1.537 20 5 FDBDLN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000544403379 541764760 /nfs/dbraw/zinc/76/47/60/541764760.db2.gz NZVBUOJNXHPPPZ-UHFFFAOYSA-N 0 2 356.294 1.355 20 5 FDBDLN Cn1cc(-n2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2=O)cn1 ZINC000544882041 541850533 /nfs/dbraw/zinc/85/05/33/541850533.db2.gz QBGYLYZGASVUHE-UHFFFAOYSA-N 0 2 355.310 1.437 20 5 FDBDLN C[C@@H]1CN(C(=O)Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)C[C@@H](C)O1 ZINC000278107494 181910086 /nfs/dbraw/zinc/91/00/86/181910086.db2.gz IMIKIQNMGBHWSB-NXEZZACHSA-N 0 2 362.342 1.529 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C ZINC000545446708 541973010 /nfs/dbraw/zinc/97/30/10/541973010.db2.gz QKFFJJKCRVXEJF-UHFFFAOYSA-N 0 2 369.355 1.616 20 5 FDBDLN C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545556245 541998846 /nfs/dbraw/zinc/99/88/46/541998846.db2.gz AHOLGEVIDYMAID-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545556245 541998850 /nfs/dbraw/zinc/99/88/50/541998850.db2.gz AHOLGEVIDYMAID-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548711014 542760322 /nfs/dbraw/zinc/76/03/22/542760322.db2.gz RIBKDWVNRLTBCC-UHFFFAOYSA-N 0 2 360.355 1.555 20 5 FDBDLN CN(C)c1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc(=O)[nH]1 ZINC000549302923 542864775 /nfs/dbraw/zinc/86/47/75/542864775.db2.gz LDHQHAVEZPNYAG-UHFFFAOYSA-N 0 2 370.329 1.194 20 5 FDBDLN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000551930378 543379775 /nfs/dbraw/zinc/37/97/75/543379775.db2.gz CFOXFICFVNGXML-JTQLQIEISA-N 0 2 365.773 1.930 20 5 FDBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1F ZINC000131581906 173207901 /nfs/dbraw/zinc/20/79/01/173207901.db2.gz CXJPVFYAKIGVRW-SNVBAGLBSA-N 0 2 356.335 1.693 20 5 FDBDLN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000180181027 258363448 /nfs/dbraw/zinc/36/34/48/258363448.db2.gz MPJJQYCSHHPCEU-ZDUSSCGKSA-N 0 2 358.354 1.912 20 5 FDBDLN CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCS1(=O)=O ZINC000331244571 259183048 /nfs/dbraw/zinc/18/30/48/259183048.db2.gz SQONVTCUCLYPGB-UHFFFAOYSA-N 0 2 356.400 1.730 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 ZINC000365575963 259858035 /nfs/dbraw/zinc/85/80/35/259858035.db2.gz PHURCZAIZQWPNY-ZDUSSCGKSA-N 0 2 352.372 1.771 20 5 FDBDLN O=C(Cc1csc(N2CCOCC2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000367388921 260033648 /nfs/dbraw/zinc/03/36/48/260033648.db2.gz SCSNGPPUHKHDCS-UHFFFAOYSA-N 0 2 364.383 1.775 20 5 FDBDLN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368284467 260161459 /nfs/dbraw/zinc/16/14/59/260161459.db2.gz LVKQYWKBRZUHNE-CYBMUJFWSA-N 0 2 356.338 1.621 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccc(-c2cnn(C)c2)n1 ZINC000373372604 261004625 /nfs/dbraw/zinc/00/46/25/261004625.db2.gz HYXHAWRJERDMTE-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC000025146730 519040941 /nfs/dbraw/zinc/04/09/41/519040941.db2.gz MGALAAXRRGCZGK-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)sc1SCC(N)=O ZINC000030708986 519390977 /nfs/dbraw/zinc/39/09/77/519390977.db2.gz ZYGZSJQOTPKQOT-UHFFFAOYSA-N 0 2 368.396 1.895 20 5 FDBDLN COC(=O)COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000055594675 523831441 /nfs/dbraw/zinc/83/14/41/523831441.db2.gz DHKAPEGFKOHJGI-UHFFFAOYSA-N 0 2 366.351 1.947 20 5 FDBDLN CCc1nsc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000158070446 524394908 /nfs/dbraw/zinc/39/49/08/524394908.db2.gz CCLIDBHXTNPLEG-UHFFFAOYSA-N 0 2 363.399 1.677 20 5 FDBDLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000129382002 525649214 /nfs/dbraw/zinc/64/92/14/525649214.db2.gz YKJKXADCIBEFSF-UHFFFAOYSA-N 0 2 360.355 1.586 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000129696212 525683612 /nfs/dbraw/zinc/68/36/12/525683612.db2.gz MGDGYXYZVBADPR-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cn1cnn(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)c1=O ZINC000119700144 525831166 /nfs/dbraw/zinc/83/11/66/525831166.db2.gz RHOLIOBCMRWQHE-UHFFFAOYSA-N 0 2 355.310 1.437 20 5 FDBDLN O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(F)c1 ZINC000182002609 526015417 /nfs/dbraw/zinc/01/54/17/526015417.db2.gz IZTSMVGERHRGHX-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN O=C(NCCNC(=O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000182010879 526018792 /nfs/dbraw/zinc/01/87/92/526018792.db2.gz KRIPMUWCOLPALB-UHFFFAOYSA-N 0 2 365.292 1.738 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000182040797 526032713 /nfs/dbraw/zinc/03/27/13/526032713.db2.gz YOKUTVKYRSVWMS-UHFFFAOYSA-N 0 2 357.248 1.567 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nnnn1-c1ccccc1 ZINC000186553022 536237130 /nfs/dbraw/zinc/23/71/30/536237130.db2.gz CFCHMCQZMJBNEH-JTQLQIEISA-N 0 2 354.326 1.767 20 5 FDBDLN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273118744 537397388 /nfs/dbraw/zinc/39/73/88/537397388.db2.gz QAPXCWKOYNCFRX-OAHLLOKOSA-N 0 2 370.365 1.616 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000443457490 538398912 /nfs/dbraw/zinc/39/89/12/538398912.db2.gz WXIBVUICRDHJGK-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000466958795 538585160 /nfs/dbraw/zinc/58/51/60/538585160.db2.gz DBDCNZJFUAWXKE-UHFFFAOYSA-N 0 2 360.373 1.135 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)oc1C ZINC000561766213 545947771 /nfs/dbraw/zinc/94/77/71/545947771.db2.gz VNHWIIFTTMGEDT-UHFFFAOYSA-N 0 2 361.357 1.930 20 5 FDBDLN C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567956103 548336096 /nfs/dbraw/zinc/33/60/96/548336096.db2.gz FJMIQWKEVAZIFE-ZYHUDNBSSA-N 0 2 369.805 1.889 20 5 FDBDLN CN(CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000571448144 549648968 /nfs/dbraw/zinc/64/89/68/549648968.db2.gz TZGPLIDYBUJICZ-NSHDSACASA-N 0 2 360.374 1.261 20 5 FDBDLN O=C([O-])c1cccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000573095910 550063065 /nfs/dbraw/zinc/06/30/65/550063065.db2.gz MHJCKKQJJXNJHU-UHFFFAOYSA-N 0 2 369.399 1.152 20 5 FDBDLN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000582675614 551254906 /nfs/dbraw/zinc/25/49/06/551254906.db2.gz NYXJLLXOSZRJNO-SNVBAGLBSA-N 0 2 365.773 1.930 20 5 FDBDLN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000582675613 551255011 /nfs/dbraw/zinc/25/50/11/551255011.db2.gz NYXJLLXOSZRJNO-JTQLQIEISA-N 0 2 365.773 1.930 20 5 FDBDLN CS(=O)(=O)c1cccc(N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000582998032 551289423 /nfs/dbraw/zinc/28/94/23/551289423.db2.gz OLFJCAQKHZWOTA-SECBINFHSA-N 0 2 368.371 1.471 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(C(=O)N2CCCCC2)CC1 ZINC000585916376 551611614 /nfs/dbraw/zinc/61/16/14/551611614.db2.gz AOJKKOVBTWYROQ-UHFFFAOYSA-N 0 2 362.386 1.664 20 5 FDBDLN CC(C)n1cnc(=NC(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]1 ZINC000593593103 552146541 /nfs/dbraw/zinc/14/65/41/552146541.db2.gz QSNHDJHTHXQLFZ-UHFFFAOYSA-N 0 2 372.385 1.897 20 5 FDBDLN CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000594337974 552291412 /nfs/dbraw/zinc/29/14/12/552291412.db2.gz WEAKQMQPTZDPGX-UHFFFAOYSA-N 0 2 357.388 1.301 20 5 FDBDLN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487187 552324418 /nfs/dbraw/zinc/32/44/18/552324418.db2.gz LLWWWCXNRPBPTR-SCZZXKLOSA-N 0 2 369.321 1.768 20 5 FDBDLN CO[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(=O)[O-])C1 ZINC000595279930 552511019 /nfs/dbraw/zinc/51/10/19/552511019.db2.gz HGBWEHJVTBYTMB-STQMWFEESA-N 0 2 362.342 1.709 20 5 FDBDLN CO[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(=O)[O-])C1 ZINC000595279930 552511021 /nfs/dbraw/zinc/51/10/21/552511021.db2.gz HGBWEHJVTBYTMB-STQMWFEESA-N 0 2 362.342 1.709 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnc(C)n2C)c(C)c([N+](=O)[O-])c1 ZINC000600655875 553292525 /nfs/dbraw/zinc/29/25/25/553292525.db2.gz UKSZEBMQURMWGO-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600669466 553297524 /nfs/dbraw/zinc/29/75/24/553297524.db2.gz NRWIOHRQXFDNBK-UHFFFAOYSA-N 0 2 365.415 1.956 20 5 FDBDLN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000616173428 555278167 /nfs/dbraw/zinc/27/81/67/555278167.db2.gz XUMCFCNFYVGICV-AWEZNQCLSA-N 0 2 359.338 1.600 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(OC)n1 ZINC000619467043 555781881 /nfs/dbraw/zinc/78/18/81/555781881.db2.gz KRPNNBLYZCLWTG-UHFFFAOYSA-N 0 2 369.355 1.816 20 5 FDBDLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000739451982 599776610 /nfs/dbraw/zinc/77/66/10/599776610.db2.gz NFXYRYUNJFWILG-ZDUSSCGKSA-N 0 2 373.369 1.344 20 5 FDBDLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000739451982 599776613 /nfs/dbraw/zinc/77/66/13/599776613.db2.gz NFXYRYUNJFWILG-ZDUSSCGKSA-N 0 2 373.369 1.344 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739922394 601962011 /nfs/dbraw/zinc/96/20/11/601962011.db2.gz XRCLSXOYZHHAPR-SNVBAGLBSA-N 0 2 352.347 1.131 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739922394 601962013 /nfs/dbraw/zinc/96/20/13/601962013.db2.gz XRCLSXOYZHHAPR-SNVBAGLBSA-N 0 2 352.347 1.131 20 5 FDBDLN C[C@@H](NC(=O)[O-])C1CC[NH+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000739015305 602425530 /nfs/dbraw/zinc/42/55/30/602425530.db2.gz NQIFQEVLKAAOIH-SNVBAGLBSA-N 0 2 364.358 1.828 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740095560 602778100 /nfs/dbraw/zinc/77/81/00/602778100.db2.gz CNPCRTRYHPFKJL-SMDDNHRTSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740095560 602778106 /nfs/dbraw/zinc/77/81/06/602778106.db2.gz CNPCRTRYHPFKJL-SMDDNHRTSA-N 0 2 350.375 1.820 20 5 FDBDLN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273209146 674517315 /nfs/dbraw/zinc/51/73/15/674517315.db2.gz LGTMMJDJCKNJRG-UHFFFAOYSA-N 0 2 351.359 1.993 20 5 FDBDLN C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828115389 603537930 /nfs/dbraw/zinc/53/79/30/603537930.db2.gz SGPMTCMDQPVXRM-SNVBAGLBSA-N 0 2 356.766 1.871 20 5 FDBDLN C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828115389 603537931 /nfs/dbraw/zinc/53/79/31/603537931.db2.gz SGPMTCMDQPVXRM-SNVBAGLBSA-N 0 2 356.766 1.871 20 5 FDBDLN O=C([O-])c1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000833777722 605156441 /nfs/dbraw/zinc/15/64/41/605156441.db2.gz CFVCKWFHPDDNJS-ZDUSSCGKSA-N 0 2 356.338 1.697 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000826451401 608166769 /nfs/dbraw/zinc/16/67/69/608166769.db2.gz FKKOWEKGYXLFAE-UHFFFAOYSA-N 0 2 361.705 1.781 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)ccc1[N+](=O)[O-] ZINC000278126545 675096856 /nfs/dbraw/zinc/09/68/56/675096856.db2.gz BQUHFFPORBUTDU-SNVBAGLBSA-N 0 2 370.343 1.639 20 5 FDBDLN COc1cc([N+](=O)[O-])c(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1SC ZINC000467466816 684862838 /nfs/dbraw/zinc/86/28/38/684862838.db2.gz KFMZWBQPUPBMJP-UHFFFAOYSA-N 0 2 367.387 1.512 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cccnc2)c(C)c([N+](=O)[O-])c1 ZINC000486013625 686819950 /nfs/dbraw/zinc/81/99/50/686819950.db2.gz DTZCONIVEBWWSK-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CN(C)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n(C)c1 ZINC000489151430 687081287 /nfs/dbraw/zinc/08/12/87/687081287.db2.gz GGCZNXNHYBOIKD-UHFFFAOYSA-N 0 2 368.371 1.142 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000507099020 688613949 /nfs/dbraw/zinc/61/39/49/688613949.db2.gz XRAIBVPZMDWNNU-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000520959901 690370387 /nfs/dbraw/zinc/37/03/87/690370387.db2.gz MUMLUUBFOABWGX-UHFFFAOYSA-N 0 2 362.371 1.469 20 5 FDBDLN CNS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000535502471 694906313 /nfs/dbraw/zinc/90/63/13/694906313.db2.gz ABVQZCRUHSGAMY-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN COc1cncc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000364885396 785220808 /nfs/dbraw/zinc/22/08/08/785220808.db2.gz YITZXBFCVOEDRT-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN O=C(NCC1CCN(c2ncccn2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376023794 785562446 /nfs/dbraw/zinc/56/24/46/785562446.db2.gz LFRBDXCQNNRHAS-UHFFFAOYSA-N 0 2 357.370 1.737 20 5 FDBDLN O=C(NCCCc1nnc2n1CCCCC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000512320371 809061856 /nfs/dbraw/zinc/06/18/56/809061856.db2.gz QMFPKAVHEZARJG-UHFFFAOYSA-N 0 2 359.386 1.981 20 5 FDBDLN CNC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000436923785 816796654 /nfs/dbraw/zinc/79/66/54/816796654.db2.gz AMLZVOBGBJORQI-UHFFFAOYSA-N 0 2 359.338 1.986 20 5 FDBDLN Cc1noc(C)c1C[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000516572459 816916923 /nfs/dbraw/zinc/91/69/23/816916923.db2.gz HZLVOAVDNCHRDE-UHFFFAOYSA-N 0 2 361.358 1.615 20 5 FDBDLN C[N@@H+](Cc1nccn1C(F)F)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964560 831933127 /nfs/dbraw/zinc/93/31/27/831933127.db2.gz OOPKMOGYTLSRFX-CHWSQXEVSA-N 0 2 371.388 1.614 20 5 FDBDLN Cc1cc(Cc2noc(Cn3[nH]cc4c(=O)ncnc3-4)n2)ccc1[N+](=O)[O-] ZINC000762302710 875697144 /nfs/dbraw/zinc/69/71/44/875697144.db2.gz IARZJXLMBACJDU-UHFFFAOYSA-N 0 2 367.325 1.310 20 5 FDBDLN O=C(COCc1cccnc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496130574 877943564 /nfs/dbraw/zinc/94/35/64/877943564.db2.gz RIZLYOUJBOKYFE-UHFFFAOYSA-N 0 2 354.326 1.930 20 5 FDBDLN CC(C)COC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000772659114 931412527 /nfs/dbraw/zinc/41/25/27/931412527.db2.gz JXOKNEIGTQCYOT-UHFFFAOYSA-N 0 2 351.359 1.851 20 5 FDBDLN CCOC(=O)N(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000772734632 933012705 /nfs/dbraw/zinc/01/27/05/933012705.db2.gz JXXROMAQPUOBAP-UHFFFAOYSA-N 0 2 351.359 1.993 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2c(N)cccc2[N+](=O)[O-])ccc1O ZINC000808044302 940516389 /nfs/dbraw/zinc/51/63/89/940516389.db2.gz YPFMAIMENDKAKH-UHFFFAOYSA-N 0 2 366.355 1.043 20 5 FDBDLN COCCN(C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795939304 1013417625 /nfs/dbraw/zinc/41/76/25/1013417625.db2.gz AKQGJKPTTHTWJD-UHFFFAOYSA-N 0 2 369.802 1.244 20 5 FDBDLN CCO/C=C/[C@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000848180241 976437023 /nfs/dbraw/zinc/43/70/23/976437023.db2.gz WRHPDBJPJFJHOL-GFUIURDCSA-N 0 2 364.276 1.874 20 5 FDBDLN C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC001589378157 986439779 /nfs/dbraw/zinc/43/97/79/986439779.db2.gz CTFKLBKGBIKLAP-BDJLRTHQSA-N 0 2 367.427 1.448 20 5 FDBDLN CCn1cc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)cn1 ZINC000777603084 996278208 /nfs/dbraw/zinc/27/82/08/996278208.db2.gz FKQNRNRMHQRBCR-UHFFFAOYSA-N 0 2 369.359 1.790 20 5 FDBDLN O=C1OCCN1c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000777676212 1001434730 /nfs/dbraw/zinc/43/47/30/1001434730.db2.gz KAOIUZIRLDQCQB-UHFFFAOYSA-N 0 2 353.316 1.075 20 5 FDBDLN CCCS(=O)(=O)NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000508412470 538932038 /nfs/dbraw/zinc/93/20/38/538932038.db2.gz QROISZDZRKEELH-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN O=C(NCc1cccc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000274828463 181172531 /nfs/dbraw/zinc/17/25/31/181172531.db2.gz DHAYJAFMEKSAKP-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000538872584 540903043 /nfs/dbraw/zinc/90/30/43/540903043.db2.gz ITJFYZYNJQSLIZ-UHFFFAOYSA-N 0 2 355.328 1.396 20 5 FDBDLN NC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000539236075 540938062 /nfs/dbraw/zinc/93/80/62/540938062.db2.gz CETFWXQGLHXLBY-UHFFFAOYSA-N 0 2 367.368 1.432 20 5 FDBDLN O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000539921636 541007435 /nfs/dbraw/zinc/00/74/35/541007435.db2.gz DBWMPSCIECLVJU-LBPRGKRZSA-N 0 2 370.321 1.303 20 5 FDBDLN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000540529626 541071106 /nfs/dbraw/zinc/07/11/06/541071106.db2.gz OEAXNPMQOQPCFB-NSHDSACASA-N 0 2 369.333 1.758 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])n1 ZINC000541072189 541146387 /nfs/dbraw/zinc/14/63/87/541146387.db2.gz IIQAOWYKDYBPPL-UHFFFAOYSA-N 0 2 363.359 1.193 20 5 FDBDLN Cc1cc(NC(=O)CSCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)no1 ZINC000544405819 541765451 /nfs/dbraw/zinc/76/54/51/541765451.db2.gz NYLOKFRJPCVUGI-UHFFFAOYSA-N 0 2 366.355 1.907 20 5 FDBDLN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288246555 183437581 /nfs/dbraw/zinc/43/75/81/183437581.db2.gz DXOYLUUXIATWDT-ZDUSSCGKSA-N 0 2 362.386 1.710 20 5 FDBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000129598091 173145364 /nfs/dbraw/zinc/14/53/64/173145364.db2.gz YWPKJRVIEYBEKW-UHFFFAOYSA-N 0 2 357.366 1.964 20 5 FDBDLN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179444650 258351107 /nfs/dbraw/zinc/35/11/07/258351107.db2.gz NDBAGMDMTFAFHX-AWEZNQCLSA-N 0 2 359.338 1.814 20 5 FDBDLN CC(C)n1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000560313512 544948087 /nfs/dbraw/zinc/94/80/87/544948087.db2.gz IBYYAWOBHWEWBH-UHFFFAOYSA-N 0 2 368.371 1.944 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)ccc1[N+](=O)[O-] ZINC000367523994 260054781 /nfs/dbraw/zinc/05/47/81/260054781.db2.gz IJJWXFJDGISNLD-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000369494570 260376997 /nfs/dbraw/zinc/37/69/97/260376997.db2.gz RPAYZHICCBGDQY-LSDHHAIUSA-N 0 2 350.371 1.693 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000373337224 261002261 /nfs/dbraw/zinc/00/22/61/261002261.db2.gz AJKKADSPCGGNTA-UHFFFAOYSA-N 0 2 371.275 1.653 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000373378176 261005141 /nfs/dbraw/zinc/00/51/41/261005141.db2.gz OYKSYCSWMBDCGR-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N[C@H]1CCOc2ccccc21 ZINC000374435124 261131498 /nfs/dbraw/zinc/13/14/98/261131498.db2.gz PFCKXOCLDYUNPB-ZDUSSCGKSA-N 0 2 371.349 1.670 20 5 FDBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccccc2F)c1 ZINC000029433734 519292285 /nfs/dbraw/zinc/29/22/85/519292285.db2.gz BBDOBGWXJAPIQO-UHFFFAOYSA-N 0 2 355.347 1.939 20 5 FDBDLN CCOC(=O)COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000033470811 519586700 /nfs/dbraw/zinc/58/67/00/519586700.db2.gz VNVOWFIOCNDAED-YVMONPNESA-N 0 2 361.310 1.496 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1S(N)(=O)=O ZINC000055650716 523843402 /nfs/dbraw/zinc/84/34/02/523843402.db2.gz PPAFWGWZFHDKPZ-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000121716387 524340431 /nfs/dbraw/zinc/34/04/31/524340431.db2.gz ITJQYJZVEFSHIQ-LBPRGKRZSA-N 0 2 370.362 1.910 20 5 FDBDLN Cn1cnc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000092265707 524861069 /nfs/dbraw/zinc/86/10/69/524861069.db2.gz VKPASFKHQJXRHU-UHFFFAOYSA-N 0 2 366.186 1.509 20 5 FDBDLN NC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000152595862 524939020 /nfs/dbraw/zinc/93/90/20/524939020.db2.gz LWSZTRQXHOKRPL-GFCCVEGCSA-N 0 2 371.321 1.378 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c2=O ZINC000119117114 525643958 /nfs/dbraw/zinc/64/39/58/525643958.db2.gz FZIQDDXUWYPERQ-UHFFFAOYSA-N 0 2 356.342 1.424 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CCc3ccc([N+](=O)[O-])cc3C1)c2=O ZINC000119338532 525713058 /nfs/dbraw/zinc/71/30/58/525713058.db2.gz LWILAGUUFAHDCM-UHFFFAOYSA-N 0 2 353.338 1.781 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000182048449 526033770 /nfs/dbraw/zinc/03/37/70/526033770.db2.gz VPOJKXVTPQTFNZ-UHFFFAOYSA-N 0 2 373.340 1.924 20 5 FDBDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000185323566 536205448 /nfs/dbraw/zinc/20/54/48/536205448.db2.gz MIWUNLSUIVDKLK-SNVBAGLBSA-N 0 2 361.276 1.584 20 5 FDBDLN O=C(NCCN1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000191306172 537202786 /nfs/dbraw/zinc/20/27/86/537202786.db2.gz UAMGQFKFTQCIDG-UHFFFAOYSA-N 0 2 355.350 1.729 20 5 FDBDLN CC1=C(C(=O)N(C)C)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1C ZINC000298733856 537294185 /nfs/dbraw/zinc/29/41/85/537294185.db2.gz OVFRSNMMEXQUBW-ZDUSSCGKSA-N 0 2 350.400 1.524 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Br)C2)o1 ZINC000285552746 537729451 /nfs/dbraw/zinc/72/94/51/537729451.db2.gz ISJPDXBRVWUMHI-ZETCQYMHSA-N 0 2 370.163 1.813 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414452583 537809423 /nfs/dbraw/zinc/80/94/23/537809423.db2.gz ALZHGEZFLYUZRB-UHFFFAOYSA-N 0 2 372.428 1.922 20 5 FDBDLN Cc1nn(Cc2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000480497330 538856463 /nfs/dbraw/zinc/85/64/63/538856463.db2.gz FPDSOVBOWGDHHU-UHFFFAOYSA-N 0 2 371.357 1.210 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000561221624 545754566 /nfs/dbraw/zinc/75/45/66/545754566.db2.gz YETNPDNFBWIVKS-MFKMUULPSA-N 0 2 371.415 1.138 20 5 FDBDLN NC(=O)CCNC(=O)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000570700289 549380638 /nfs/dbraw/zinc/38/06/38/549380638.db2.gz CFLQOJYOZNPEIW-UHFFFAOYSA-N 0 2 372.337 1.158 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cc(C)nc3ncnn32)ccc1[N+](=O)[O-] ZINC000575915017 550490407 /nfs/dbraw/zinc/49/04/07/550490407.db2.gz CXERDGRRCKSTOK-UHFFFAOYSA-N 0 2 364.343 1.150 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000580694192 551008707 /nfs/dbraw/zinc/00/87/07/551008707.db2.gz ZEMDGPCFDNKGGV-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN O=C([O-])c1ccnc(NCc2ccc[nH+]c2N2CCOCC2)c1[N+](=O)[O-] ZINC000583755549 551397553 /nfs/dbraw/zinc/39/75/53/551397553.db2.gz VGFJIVIQSYCHAG-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)[nH]n1 ZINC000584781572 551547885 /nfs/dbraw/zinc/54/78/85/551547885.db2.gz IPVBVZWUPYICLI-UHFFFAOYSA-N 0 2 368.371 1.858 20 5 FDBDLN NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCc1ccc2cn[nH]c2c1 ZINC000588048720 551643087 /nfs/dbraw/zinc/64/30/87/551643087.db2.gz TYOCQHKWQIGXMI-UHFFFAOYSA-N 0 2 361.383 1.773 20 5 FDBDLN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593851759 552209492 /nfs/dbraw/zinc/20/94/92/552209492.db2.gz STUFYIZDDMLBIQ-GFCCVEGCSA-N 0 2 366.370 1.921 20 5 FDBDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000594380837 552299328 /nfs/dbraw/zinc/29/93/28/552299328.db2.gz AXGOOXRWVDEPSI-NSHDSACASA-N 0 2 352.265 1.312 20 5 FDBDLN CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000595279945 552511275 /nfs/dbraw/zinc/51/12/75/552511275.db2.gz KDFXTVZBSNQMNE-CYBMUJFWSA-N 0 2 371.415 1.149 20 5 FDBDLN CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000595279945 552511278 /nfs/dbraw/zinc/51/12/78/552511278.db2.gz KDFXTVZBSNQMNE-CYBMUJFWSA-N 0 2 371.415 1.149 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598711076 552927532 /nfs/dbraw/zinc/92/75/32/552927532.db2.gz FGKNIGIYWLPZPZ-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)n1 ZINC000600666655 553296536 /nfs/dbraw/zinc/29/65/36/553296536.db2.gz ACOIRZBMFAIOBE-UHFFFAOYSA-N 0 2 366.403 1.434 20 5 FDBDLN NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000609680653 554411254 /nfs/dbraw/zinc/41/12/54/554411254.db2.gz QFMFLYWSEHAHRO-UHFFFAOYSA-N 0 2 369.377 1.960 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000610796751 554563141 /nfs/dbraw/zinc/56/31/41/554563141.db2.gz IRQOXQSCKWJQQH-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000619670562 555819875 /nfs/dbraw/zinc/81/98/75/555819875.db2.gz LXUMEGXCFCQTHX-UHFFFAOYSA-N 0 2 372.428 1.975 20 5 FDBDLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000739508916 599783623 /nfs/dbraw/zinc/78/36/23/599783623.db2.gz QDYZNFIPJVGYBZ-KRWDZBQOSA-N 0 2 355.350 1.899 20 5 FDBDLN COc1ccc([C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000737965482 599863925 /nfs/dbraw/zinc/86/39/25/599863925.db2.gz XIBNNYQABQBNBH-KRWDZBQOSA-N 0 2 373.365 1.982 20 5 FDBDLN CN(CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000739659402 602387682 /nfs/dbraw/zinc/38/76/82/602387682.db2.gz CIAOUVWBDIKWED-UHFFFAOYSA-N 0 2 350.375 1.855 20 5 FDBDLN O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273155093 674512318 /nfs/dbraw/zinc/51/23/18/674512318.db2.gz ALMFSEJVKRWCCD-GFCCVEGCSA-N 0 2 351.384 1.342 20 5 FDBDLN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000273264851 674522277 /nfs/dbraw/zinc/52/22/77/674522277.db2.gz UIBMQJYEFHSMPX-HUUCEWRRSA-N 0 2 350.371 1.693 20 5 FDBDLN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273296073 674525615 /nfs/dbraw/zinc/52/56/15/674525615.db2.gz YVWHZYIBMFHCKF-BXKDBHETSA-N 0 2 353.400 1.730 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830531065 603581880 /nfs/dbraw/zinc/58/18/80/603581880.db2.gz BQLPVOYWOXVYNE-LBPRGKRZSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830531065 603581881 /nfs/dbraw/zinc/58/18/81/603581881.db2.gz BQLPVOYWOXVYNE-LBPRGKRZSA-N 0 2 350.375 1.916 20 5 FDBDLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)[O-] ZINC000825926572 603721409 /nfs/dbraw/zinc/72/14/09/603721409.db2.gz WVQVYNQGHBQMQZ-SMDDNHRTSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)[O-] ZINC000825926572 603721410 /nfs/dbraw/zinc/72/14/10/603721410.db2.gz WVQVYNQGHBQMQZ-SMDDNHRTSA-N 0 2 350.375 1.901 20 5 FDBDLN CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830706906 604270477 /nfs/dbraw/zinc/27/04/77/604270477.db2.gz WPRZZQISANTDEG-SNVBAGLBSA-N 0 2 373.793 1.076 20 5 FDBDLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000833404868 604647977 /nfs/dbraw/zinc/64/79/77/604647977.db2.gz VDCBYDQHXVWLAH-LBPRGKRZSA-N 0 2 361.398 1.665 20 5 FDBDLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000833404868 604647979 /nfs/dbraw/zinc/64/79/79/604647979.db2.gz VDCBYDQHXVWLAH-LBPRGKRZSA-N 0 2 361.398 1.665 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833413790 604975588 /nfs/dbraw/zinc/97/55/88/604975588.db2.gz ZYACIAFWSZVBIZ-YGRLFVJLSA-N 0 2 351.359 1.079 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000830432522 605741602 /nfs/dbraw/zinc/74/16/02/605741602.db2.gz GOFIOUWHNCZOOA-LBPRGKRZSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000830432522 605741604 /nfs/dbraw/zinc/74/16/04/605741604.db2.gz GOFIOUWHNCZOOA-LBPRGKRZSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000822270905 607026819 /nfs/dbraw/zinc/02/68/19/607026819.db2.gz CFBNATUWDWCHGO-UHFFFAOYSA-N 0 2 367.372 1.341 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)cn1 ZINC000277028311 674837559 /nfs/dbraw/zinc/83/75/59/674837559.db2.gz KBXODRQDLVJTML-UHFFFAOYSA-N 0 2 368.371 1.707 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 ZINC000045499909 670975819 /nfs/dbraw/zinc/97/58/19/670975819.db2.gz HYXIHGXGHUFHMJ-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN Cc1[nH+]ccn1CCCC[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266263390 673096185 /nfs/dbraw/zinc/09/61/85/673096185.db2.gz ZYIVBUUATNHFPM-UHFFFAOYSA-N 0 2 356.379 1.998 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000327876573 676596067 /nfs/dbraw/zinc/59/60/67/676596067.db2.gz YLLMLXPUFYLUJB-SECBINFHSA-N 0 2 365.346 1.816 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000363170700 676939470 /nfs/dbraw/zinc/93/94/70/676939470.db2.gz MKWLQTNEPGBVBY-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CNC(=O)Cn1nc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1C ZINC000502804560 688300902 /nfs/dbraw/zinc/30/09/02/688300902.db2.gz FDIHFGKPQYFPHM-UHFFFAOYSA-N 0 2 369.179 1.747 20 5 FDBDLN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377067891 791023347 /nfs/dbraw/zinc/02/33/47/791023347.db2.gz OYPGCVLYKZVEHC-CQSZACIVSA-N 0 2 356.338 1.621 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000376088120 785845614 /nfs/dbraw/zinc/84/56/14/785845614.db2.gz YUJYEXXUJXTMEQ-UHFFFAOYSA-N 0 2 371.275 1.653 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)c1ccccn1 ZINC000376634088 789585767 /nfs/dbraw/zinc/58/57/67/789585767.db2.gz YITUWCDGDXNYOI-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN NC(=O)c1ccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000512717992 810090230 /nfs/dbraw/zinc/09/02/30/810090230.db2.gz HBPUKSJFKLINEX-UHFFFAOYSA-N 0 2 370.365 1.362 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)N1CCc2ccccc2C1 ZINC000436981120 810281339 /nfs/dbraw/zinc/28/13/39/810281339.db2.gz SUAMCTSPNFHBIA-UHFFFAOYSA-N 0 2 355.350 1.615 20 5 FDBDLN O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505868822 816671118 /nfs/dbraw/zinc/67/11/18/816671118.db2.gz RQMCSIXOKCKYLZ-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COc1ccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436870084 816768067 /nfs/dbraw/zinc/76/80/67/816768067.db2.gz ODCIEWUOHPZSTD-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN O=c1nc(C2CCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)[nH][nH]1 ZINC000281020136 825853520 /nfs/dbraw/zinc/85/35/20/825853520.db2.gz OGYCLIDTKQNNNB-UHFFFAOYSA-N 0 2 371.357 1.436 20 5 FDBDLN CNC(=O)COc1cccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000483438281 849580217 /nfs/dbraw/zinc/58/02/17/849580217.db2.gz LWQHWBADUJKIBO-UHFFFAOYSA-N 0 2 359.338 1.606 20 5 FDBDLN CNC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000490368007 861182000 /nfs/dbraw/zinc/18/20/00/861182000.db2.gz MZYCNXWMOCVMEF-UHFFFAOYSA-N 0 2 367.325 1.387 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)[nH]n1 ZINC000763380248 881861240 /nfs/dbraw/zinc/86/12/40/881861240.db2.gz BPZIPIZLCNFXRJ-UHFFFAOYSA-N 0 2 372.334 1.743 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)NC3(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CCC3)c2c1 ZINC001062990424 890104414 /nfs/dbraw/zinc/10/44/14/890104414.db2.gz JGBLFGOJAQDKBO-TZMCWYRMSA-N 0 2 371.397 1.305 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)CCO1 ZINC000273174454 911178931 /nfs/dbraw/zinc/17/89/31/911178931.db2.gz FUMYKOSITMIMMU-GFCCVEGCSA-N 0 2 372.381 1.851 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 ZINC000742028257 925911552 /nfs/dbraw/zinc/91/15/52/925911552.db2.gz VMLNMBYEESZFJO-UHFFFAOYSA-N 0 2 372.334 1.213 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000772053862 931031748 /nfs/dbraw/zinc/03/17/48/931031748.db2.gz MAGQTEWKZFMJHR-UHFFFAOYSA-N 0 2 371.309 1.251 20 5 FDBDLN Cn1ncc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000805102907 938661941 /nfs/dbraw/zinc/66/19/41/938661941.db2.gz UKFNAKCUCATDNJ-UHFFFAOYSA-N 0 2 366.186 1.509 20 5 FDBDLN C[C@H](COC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[N+](=O)[O-] ZINC000813109458 941334788 /nfs/dbraw/zinc/33/47/88/941334788.db2.gz TUELPMZNTIDVHS-MRVPVSSYSA-N 0 2 374.400 1.104 20 5 FDBDLN O=C([O-])c1cc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000844300094 947960736 /nfs/dbraw/zinc/96/07/36/947960736.db2.gz HHPWOIROYKMQPU-UHFFFAOYSA-N 0 2 369.399 1.009 20 5 FDBDLN Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000845472017 949329179 /nfs/dbraw/zinc/32/91/79/949329179.db2.gz IZBWZRPFQMTMBT-NSHDSACASA-N 0 2 352.372 1.556 20 5 FDBDLN O=C(Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851451469 978932574 /nfs/dbraw/zinc/93/25/74/978932574.db2.gz IGBXPEQFKIHEHP-UXXRCYHCSA-N 0 2 374.353 1.059 20 5 FDBDLN O=C(Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC1[N+](=O)[O-] ZINC000851451469 978932576 /nfs/dbraw/zinc/93/25/76/978932576.db2.gz IGBXPEQFKIHEHP-UXXRCYHCSA-N 0 2 374.353 1.059 20 5 FDBDLN CC(C)(C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589574760 987349364 /nfs/dbraw/zinc/34/93/64/987349364.db2.gz KECHNULJADDATD-ZDUSSCGKSA-N 0 2 364.333 1.547 20 5 FDBDLN CC(C)(C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589574760 987349378 /nfs/dbraw/zinc/34/93/78/987349378.db2.gz KECHNULJADDATD-ZDUSSCGKSA-N 0 2 364.333 1.547 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000362314873 988631382 /nfs/dbraw/zinc/63/13/82/988631382.db2.gz BGVZNJUGSZQZMX-LLVKDONJSA-N 0 2 356.338 1.683 20 5 FDBDLN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000271444349 999702430 /nfs/dbraw/zinc/70/24/30/999702430.db2.gz HCGHEUCODWSTKQ-CYBMUJFWSA-N 0 2 367.358 1.875 20 5 FDBDLN Cc1ncc(C(=O)N2Cc3ccc(CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])cc3C2)[nH]1 ZINC000965869630 1016447878 /nfs/dbraw/zinc/44/78/78/1016447878.db2.gz WGRYCTUBDOJEMF-GDBMZVCRSA-N 0 2 369.381 1.156 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cnn(C)c3)o2)ccc1[N+](=O)[O-] ZINC000194752394 178223915 /nfs/dbraw/zinc/22/39/15/178223915.db2.gz BOINGVQCQRQPOH-UHFFFAOYSA-N 0 2 364.343 1.488 20 5 FDBDLN NC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000512780545 538980522 /nfs/dbraw/zinc/98/05/22/538980522.db2.gz CDRSLXKAGNQZGQ-UHFFFAOYSA-N 0 2 362.367 1.837 20 5 FDBDLN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000516933791 539331972 /nfs/dbraw/zinc/33/19/72/539331972.db2.gz ZTFBKOOFIHVGDP-UHFFFAOYSA-N 0 2 371.353 1.835 20 5 FDBDLN CCc1ncc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000269466091 180309459 /nfs/dbraw/zinc/30/94/59/180309459.db2.gz JEKAKRDFYNTCCT-UHFFFAOYSA-N 0 2 366.355 1.519 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000274766930 181162289 /nfs/dbraw/zinc/16/22/89/181162289.db2.gz YQGLLYHJRZNPCV-GXTWGEPZSA-N 0 2 356.400 1.728 20 5 FDBDLN O=C(CSCC(=O)N1CCCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000536192411 540564375 /nfs/dbraw/zinc/56/43/75/540564375.db2.gz MWAKTAHKHFHJGS-UHFFFAOYSA-N 0 2 353.400 1.985 20 5 FDBDLN O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000536209020 540565953 /nfs/dbraw/zinc/56/59/53/540565953.db2.gz ITDCWSRXQPLYRG-UHFFFAOYSA-N 0 2 369.337 1.935 20 5 FDBDLN NC(=O)c1cn(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc12 ZINC000537766566 540772410 /nfs/dbraw/zinc/77/24/10/540772410.db2.gz DZCIUTGMWUYGLM-UHFFFAOYSA-N 0 2 354.322 1.993 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000538756303 540888248 /nfs/dbraw/zinc/88/82/48/540888248.db2.gz TWTGJUJNSZERGA-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN O=C(c1cccnc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000540963042 541124431 /nfs/dbraw/zinc/12/44/31/541124431.db2.gz BTUWCYBXKBHHDA-UHFFFAOYSA-N 0 2 356.338 1.294 20 5 FDBDLN COc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cccc1C(N)=O ZINC000541125136 541154661 /nfs/dbraw/zinc/15/46/61/541154661.db2.gz PULFTPCGFVKRGY-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CN(C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)S(C)(=O)=O ZINC000286545789 183092943 /nfs/dbraw/zinc/09/29/43/183092943.db2.gz ZHKDVWMUROIKRJ-LLVKDONJSA-N 0 2 371.415 1.044 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000287420931 183289315 /nfs/dbraw/zinc/28/93/15/183289315.db2.gz UDPPRSPMVROWKL-RYUDHWBXSA-N 0 2 371.415 1.138 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000549450186 542886657 /nfs/dbraw/zinc/88/66/57/542886657.db2.gz YQAXQMGDJLPBAS-MRVPVSSYSA-N 0 2 371.350 1.126 20 5 FDBDLN Cc1nsc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000179524011 258353222 /nfs/dbraw/zinc/35/32/22/258353222.db2.gz OHCOCWKBHYCDOF-UHFFFAOYSA-N 0 2 363.399 1.813 20 5 FDBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278905608 258519676 /nfs/dbraw/zinc/51/96/76/258519676.db2.gz RKBWOHLCVXWUAE-ZDUSSCGKSA-N 0 2 352.372 1.981 20 5 FDBDLN CNC(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000556499549 544150039 /nfs/dbraw/zinc/15/00/39/544150039.db2.gz HWRMJJQOXQALRR-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN COCCNC(=O)c1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000557485107 544297262 /nfs/dbraw/zinc/29/72/62/544297262.db2.gz IOLLRZSBZVTRLF-UHFFFAOYSA-N 0 2 359.338 1.929 20 5 FDBDLN COCC(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000560426684 545004545 /nfs/dbraw/zinc/00/45/45/545004545.db2.gz RFKQGSMIGMXEJE-UHFFFAOYSA-N 0 2 359.338 1.815 20 5 FDBDLN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330603603 259152894 /nfs/dbraw/zinc/15/28/94/259152894.db2.gz HVOXHPDNGSTVKS-UHFFFAOYSA-N 0 2 373.413 1.609 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000367499990 260051714 /nfs/dbraw/zinc/05/17/14/260051714.db2.gz IXZKUHOWRKYXBE-LBPRGKRZSA-N 0 2 363.370 1.011 20 5 FDBDLN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000373827482 261044858 /nfs/dbraw/zinc/04/48/58/261044858.db2.gz WIZQXPDCNNEFDF-GFCCVEGCSA-N 0 2 359.313 1.975 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000374956525 261234895 /nfs/dbraw/zinc/23/48/95/261234895.db2.gz ZPPCGCWWLYNRCC-LBPRGKRZSA-N 0 2 350.371 1.958 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000410407070 262166837 /nfs/dbraw/zinc/16/68/37/262166837.db2.gz MNILDLPKNLZTKX-UHFFFAOYSA-N 0 2 369.355 1.909 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SC(N(C)C)=NC1=O ZINC000028757220 519248764 /nfs/dbraw/zinc/24/87/64/519248764.db2.gz KXEUYBZMKHOHOK-NSHDSACASA-N 0 2 352.372 1.492 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1SC(N(C)C)=NC1=O ZINC000028757220 519248765 /nfs/dbraw/zinc/24/87/65/519248765.db2.gz KXEUYBZMKHOHOK-NSHDSACASA-N 0 2 352.372 1.492 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000031281284 519425556 /nfs/dbraw/zinc/42/55/56/519425556.db2.gz FWKAQEXFQJDCCD-UHFFFAOYSA-N 0 2 363.370 1.011 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065773717 522882731 /nfs/dbraw/zinc/88/27/31/522882731.db2.gz HDMWGBFFMFMNRG-UHFFFAOYSA-N 0 2 362.371 1.138 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000067899397 523627856 /nfs/dbraw/zinc/62/78/56/523627856.db2.gz XGCFSNUKTPGFMP-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN C[C@](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000101576080 525234742 /nfs/dbraw/zinc/23/47/42/525234742.db2.gz OHZPXQCCKWJWPJ-OAHLLOKOSA-N 0 2 367.358 1.413 20 5 FDBDLN Cc1c(Br)cc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000127148749 525388269 /nfs/dbraw/zinc/38/82/69/525388269.db2.gz RTGCGJFLHCVQHR-UHFFFAOYSA-N 0 2 356.136 1.007 20 5 FDBDLN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000179494717 525592327 /nfs/dbraw/zinc/59/23/27/525592327.db2.gz RASNNUOXNHFHDH-CYBMUJFWSA-N 0 2 359.313 1.975 20 5 FDBDLN CN(C)c1noc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000189544983 537063215 /nfs/dbraw/zinc/06/32/15/537063215.db2.gz ZFLCCRIIOLBAGU-UHFFFAOYSA-N 0 2 361.358 1.769 20 5 FDBDLN COCCn1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000282259333 537290613 /nfs/dbraw/zinc/29/06/13/537290613.db2.gz JKFIGWNSLJICPN-UHFFFAOYSA-N 0 2 358.351 1.055 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000325046414 537624538 /nfs/dbraw/zinc/62/45/38/537624538.db2.gz OIWRQBCMOTUCBG-UHFFFAOYSA-N 0 2 371.396 1.876 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000377484118 537965773 /nfs/dbraw/zinc/96/57/73/537965773.db2.gz IMYYSCQJGLRIQV-BXUZGUMPSA-N 0 2 372.385 1.403 20 5 FDBDLN O=C(CNC(=O)NCc1ccc([N+](=O)[O-])cc1)Nc1ccc2nn[nH]c2c1 ZINC000471900619 538553662 /nfs/dbraw/zinc/55/36/62/538553662.db2.gz GDHMASRIBVIYLM-UHFFFAOYSA-N 0 2 369.341 1.304 20 5 FDBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C)nc1 ZINC000468367164 538730085 /nfs/dbraw/zinc/73/00/85/538730085.db2.gz LEOMUWAIFOXTFL-UHFFFAOYSA-N 0 2 352.328 1.281 20 5 FDBDLN O=C(CCC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000565026430 547163334 /nfs/dbraw/zinc/16/33/34/547163334.db2.gz PBZPHDMDRWTZGE-UHFFFAOYSA-N 0 2 373.369 1.788 20 5 FDBDLN CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000565306567 547301086 /nfs/dbraw/zinc/30/10/86/547301086.db2.gz CCRHHVKEVNMCHI-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000566238931 547676637 /nfs/dbraw/zinc/67/66/37/547676637.db2.gz VRIWDYBABWEJLL-UHFFFAOYSA-N 0 2 350.310 1.969 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(O)c3)CC2)n1 ZINC000569728186 549028952 /nfs/dbraw/zinc/02/89/52/549028952.db2.gz QGGRIXGRHWFUKC-UHFFFAOYSA-N 0 2 358.354 1.716 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000572367147 549898927 /nfs/dbraw/zinc/89/89/27/549898927.db2.gz NARGWEYJKFWHQD-UHFFFAOYSA-N 0 2 357.370 1.714 20 5 FDBDLN O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)NCC(F)(F)F)CCO2 ZINC000576552900 550561739 /nfs/dbraw/zinc/56/17/39/550561739.db2.gz JXWJQFVMWPVRRN-UHFFFAOYSA-N 0 2 355.294 1.186 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC000577186706 550629973 /nfs/dbraw/zinc/62/99/73/550629973.db2.gz HBINPHZOESXJAW-JTNHKYCSSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C([O-])c1ccc(N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)[nH+]c1 ZINC000579014664 550826434 /nfs/dbraw/zinc/82/64/34/550826434.db2.gz VETUWZZNBWSSLW-UHFFFAOYSA-N 0 2 374.382 1.724 20 5 FDBDLN Cn1cc([C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000584129156 551451997 /nfs/dbraw/zinc/45/19/97/551451997.db2.gz JERGNDPYGCCLTJ-OAHLLOKOSA-N 0 2 360.370 1.668 20 5 FDBDLN C[C@@H](C(=O)N=c1ccc(-c2cnn(C)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000584152923 551455190 /nfs/dbraw/zinc/45/51/90/551455190.db2.gz ASUKTOLMKGHIEG-LLVKDONJSA-N 0 2 352.354 2.528 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589923931 551751974 /nfs/dbraw/zinc/75/19/74/551751974.db2.gz XAQRCDUBYFXLIA-HQJQHLMTSA-N 0 2 372.296 1.858 20 5 FDBDLN O=C(c1c(O)cc(F)cc1F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590890316 551825259 /nfs/dbraw/zinc/82/52/59/551825259.db2.gz GCHXVZJQHWDSPC-UHFFFAOYSA-N 0 2 364.308 1.936 20 5 FDBDLN C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000592980663 552051241 /nfs/dbraw/zinc/05/12/41/552051241.db2.gz USASBNPFABQNEX-ZFWWWQNUSA-N 0 2 363.414 1.974 20 5 FDBDLN CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000593736559 552187045 /nfs/dbraw/zinc/18/70/45/552187045.db2.gz CCLMXVRKCTVCSW-LLVKDONJSA-N 0 2 358.416 1.938 20 5 FDBDLN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000593736559 552187046 /nfs/dbraw/zinc/18/70/46/552187046.db2.gz CCLMXVRKCTVCSW-LLVKDONJSA-N 0 2 358.416 1.938 20 5 FDBDLN O=C([O-])CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593750887 552190423 /nfs/dbraw/zinc/19/04/23/552190423.db2.gz BLRNMFUZJLHOEZ-CYBMUJFWSA-N 0 2 370.427 1.945 20 5 FDBDLN O=C([O-])CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593750887 552190425 /nfs/dbraw/zinc/19/04/25/552190425.db2.gz BLRNMFUZJLHOEZ-CYBMUJFWSA-N 0 2 370.427 1.945 20 5 FDBDLN Cc1nc(C2(NS(=O)(=O)c3ncccc3[N+](=O)[O-])CCCCC2)no1 ZINC000594744827 552368580 /nfs/dbraw/zinc/36/85/80/552368580.db2.gz APBUYUJKXQKTBN-UHFFFAOYSA-N 0 2 367.387 1.819 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnc(OCCO)c2)cc1C ZINC000596050824 552650154 /nfs/dbraw/zinc/65/01/54/552650154.db2.gz KSJZXLAGGQKZHP-UHFFFAOYSA-N 0 2 367.383 1.779 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000599249696 553002428 /nfs/dbraw/zinc/00/24/28/553002428.db2.gz DZYSHGZYECXRCD-DTWKUNHWSA-N 0 2 370.353 1.975 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2cnccc2C(F)(F)F)n1 ZINC000599358325 553035956 /nfs/dbraw/zinc/03/59/56/553035956.db2.gz AVKZQXGBIQBLFY-UHFFFAOYSA-N 0 2 365.293 1.221 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cnn(CCF)c1)OCCO2 ZINC000600660660 553294362 /nfs/dbraw/zinc/29/43/62/553294362.db2.gz NSWLUPOBIXQHJS-UHFFFAOYSA-N 0 2 372.334 1.333 20 5 FDBDLN CCCCCc1nnc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000600668437 553297221 /nfs/dbraw/zinc/29/72/21/553297221.db2.gz QFVJCGGPUISZQR-UHFFFAOYSA-N 0 2 360.421 1.713 20 5 FDBDLN O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600679823 553298778 /nfs/dbraw/zinc/29/87/78/553298778.db2.gz BBICTESZVXCION-HNNXBMFYSA-N 0 2 372.381 1.326 20 5 FDBDLN O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600679823 553298780 /nfs/dbraw/zinc/29/87/80/553298780.db2.gz BBICTESZVXCION-HNNXBMFYSA-N 0 2 372.381 1.326 20 5 FDBDLN CNS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000603501099 553795646 /nfs/dbraw/zinc/79/56/46/553795646.db2.gz YGFZYKGTOWHNMN-UHFFFAOYSA-N 0 2 371.396 1.200 20 5 FDBDLN COc1ccc(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1[N+](=O)[O-] ZINC000604192015 553851980 /nfs/dbraw/zinc/85/19/80/553851980.db2.gz KAKSXYZWDMEDSP-UHFFFAOYSA-N 0 2 371.309 1.283 20 5 FDBDLN COC(=O)c1ccc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[n-]n1 ZINC000619605757 555808341 /nfs/dbraw/zinc/80/83/41/555808341.db2.gz NQKUEHYEBQWCMO-UHFFFAOYSA-N 0 2 368.309 1.609 20 5 FDBDLN O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1cccc([N+](=O)[O-])c1[O-] ZINC000619873061 555847377 /nfs/dbraw/zinc/84/73/77/555847377.db2.gz XUQSLGLQWZQWQN-UHFFFAOYSA-N 0 2 361.358 1.599 20 5 FDBDLN C[C@@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000736815326 601109255 /nfs/dbraw/zinc/10/92/55/601109255.db2.gz ZMPLVDDNMOZEGQ-IAQYHMDHSA-N 0 2 363.370 1.086 20 5 FDBDLN COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262175498 601290930 /nfs/dbraw/zinc/29/09/30/601290930.db2.gz WVCJWLQIUVLNIC-INIZCTEOSA-N 0 2 362.342 1.390 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739871841 602795456 /nfs/dbraw/zinc/79/54/56/602795456.db2.gz OEUSDVWZCRMMBA-JQWIXIFHSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739871841 602795457 /nfs/dbraw/zinc/79/54/57/602795457.db2.gz OEUSDVWZCRMMBA-JQWIXIFHSA-N 0 2 366.374 1.520 20 5 FDBDLN C[C@@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739193374 603393803 /nfs/dbraw/zinc/39/38/03/603393803.db2.gz SZQDSIPQGZFNEH-MWLCHTKSSA-N 0 2 350.331 1.438 20 5 FDBDLN C[C@@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739193374 603393808 /nfs/dbraw/zinc/39/38/08/603393808.db2.gz SZQDSIPQGZFNEH-MWLCHTKSSA-N 0 2 350.331 1.438 20 5 FDBDLN Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877977 603844964 /nfs/dbraw/zinc/84/49/64/603844964.db2.gz XKUYSUOEAGPHPH-RYUDHWBXSA-N 0 2 350.375 1.914 20 5 FDBDLN Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877977 603844966 /nfs/dbraw/zinc/84/49/66/603844966.db2.gz XKUYSUOEAGPHPH-RYUDHWBXSA-N 0 2 350.375 1.914 20 5 FDBDLN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000833630202 605402550 /nfs/dbraw/zinc/40/25/50/605402550.db2.gz FUCDLEODWVPWHD-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C[N@H+]1C ZINC000833630202 605402553 /nfs/dbraw/zinc/40/25/53/605402553.db2.gz FUCDLEODWVPWHD-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000273618012 674555113 /nfs/dbraw/zinc/55/51/13/674555113.db2.gz UIRRFNAJKHSABP-UHFFFAOYSA-N 0 2 368.327 1.443 20 5 FDBDLN COc1ccc(CNC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000277011943 674832682 /nfs/dbraw/zinc/83/26/82/674832682.db2.gz LOOZCPRBZGPIFL-UHFFFAOYSA-N 0 2 363.292 1.677 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)CCOC(C)C)c(C)c([N+](=O)[O-])c1 ZINC000277065650 674850070 /nfs/dbraw/zinc/85/00/70/674850070.db2.gz PTLJAGDZBSTIOG-UHFFFAOYSA-N 0 2 360.388 1.857 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000278110249 675094909 /nfs/dbraw/zinc/09/49/09/675094909.db2.gz ACXRVLYTFPIDLD-JTQLQIEISA-N 0 2 354.344 1.939 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnn(C)c2C)c(C)c([N+](=O)[O-])c1 ZINC000291999223 676278399 /nfs/dbraw/zinc/27/83/99/676278399.db2.gz XIBAPAHGGUUDMC-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN O=C(Nc1ccnn1-c1ccc(Br)cn1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000366189810 677420290 /nfs/dbraw/zinc/42/02/90/677420290.db2.gz KHWRSIRLKDQCJS-BDAKNGLRSA-N 0 2 352.148 1.634 20 5 FDBDLN CCOC(=O)c1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436872243 681740232 /nfs/dbraw/zinc/74/02/32/681740232.db2.gz LWHVOYAYFYKKTQ-UHFFFAOYSA-N 0 2 351.340 1.864 20 5 FDBDLN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000436899187 681742574 /nfs/dbraw/zinc/74/25/74/681742574.db2.gz IZHDANXRPDJWIZ-CQSZACIVSA-N 0 2 352.343 1.389 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)CCOC2)c(F)c1 ZINC000508111294 688710155 /nfs/dbraw/zinc/71/01/55/688710155.db2.gz IHJCCJWIRHRJPC-JTQLQIEISA-N 0 2 358.269 1.734 20 5 FDBDLN Cc1noc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CCOCC2)n1 ZINC000376679085 789631858 /nfs/dbraw/zinc/63/18/58/789631858.db2.gz KCPMLDSINMKXDX-AWEZNQCLSA-N 0 2 362.342 1.890 20 5 FDBDLN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412324919 793635446 /nfs/dbraw/zinc/63/54/46/793635446.db2.gz RITIMIKAAXSJHL-FPMFFAJLSA-N 0 2 357.370 1.928 20 5 FDBDLN O=C(Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1)NC1CCCC1 ZINC000509815617 810309663 /nfs/dbraw/zinc/30/96/63/810309663.db2.gz WWFMGESDKDXINN-UHFFFAOYSA-N 0 2 373.369 1.808 20 5 FDBDLN O=C(NCc1ccc(Cn2cncn2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505791912 816419748 /nfs/dbraw/zinc/41/97/48/816419748.db2.gz ZIBSULXKBGCVQM-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN CC(C)(C)OC(=O)NCCOCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770855568 930284889 /nfs/dbraw/zinc/28/48/89/930284889.db2.gz FZEPRFWDTALORC-UHFFFAOYSA-N 0 2 355.347 1.780 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)NCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000804970668 938632813 /nfs/dbraw/zinc/63/28/13/938632813.db2.gz ZFAPJUKMIBGEKZ-UHFFFAOYSA-N 0 2 369.359 1.283 20 5 FDBDLN O=C(Nc1n[nH]cc1S(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001131707904 940841142 /nfs/dbraw/zinc/84/11/42/940841142.db2.gz YGZDZXUURJWPDB-NXEZZACHSA-N 0 2 370.774 1.500 20 5 FDBDLN COC(=O)c1cc(C(=O)NCCc2n[nH]c(=S)o2)cc([N+](=O)[O-])c1 ZINC000773095627 955797455 /nfs/dbraw/zinc/79/74/55/955797455.db2.gz GGNRXWOLZWKJFP-UHFFFAOYSA-N 0 2 352.328 1.026 20 5 FDBDLN COCCn1c(=O)cc(O)nc1SCc1ccc(F)cc1[N+](=O)[O-] ZINC000853643487 968219720 /nfs/dbraw/zinc/21/97/20/968219720.db2.gz WTNCLILOSUUCQH-UHFFFAOYSA-N 0 2 355.347 1.935 20 5 FDBDLN COc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1-n1cnnn1 ZINC000776197684 975100796 /nfs/dbraw/zinc/10/07/96/975100796.db2.gz QAXTYEQRTSUMDJ-UHFFFAOYSA-N 0 2 356.298 1.537 20 5 FDBDLN CCc1[nH]c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1C(=O)[O-] ZINC001597387206 987613319 /nfs/dbraw/zinc/61/33/19/987613319.db2.gz WYCKBUQUEXVDPX-UHFFFAOYSA-N 0 2 359.386 1.901 20 5 FDBDLN CC(C)N1N=C(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CCC1=O ZINC000369105344 989025032 /nfs/dbraw/zinc/02/50/32/989025032.db2.gz VQESDYVNKGCCGO-UHFFFAOYSA-N 0 2 371.357 1.705 20 5 FDBDLN CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271544982 999710973 /nfs/dbraw/zinc/71/09/73/999710973.db2.gz OLKQFDJGGIYIAE-CMPLNLGQSA-N 0 2 367.358 1.609 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000777636850 1000994439 /nfs/dbraw/zinc/99/44/39/1000994439.db2.gz BZYQYADASMPEHC-UHFFFAOYSA-N 0 2 369.359 1.616 20 5 FDBDLN CN(C)c1noc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)n1 ZINC000194462015 178212065 /nfs/dbraw/zinc/21/20/65/178212065.db2.gz JOUNZMJOVXLJFG-JTQLQIEISA-N 0 2 361.358 1.769 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncn(CC(F)(F)F)n1 ZINC000194995429 178232864 /nfs/dbraw/zinc/23/28/64/178232864.db2.gz SJCXFILAXVFSLE-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN COc1ccc(NC(=O)CCSCCS(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000264418597 179103525 /nfs/dbraw/zinc/10/35/25/179103525.db2.gz XQZHEDDPYBIEGG-UHFFFAOYSA-N 0 2 362.429 1.710 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(NC(=O)CO)c1 ZINC000524474714 539647820 /nfs/dbraw/zinc/64/78/20/539647820.db2.gz IZZLUPLEFGYFMO-UHFFFAOYSA-N 0 2 365.367 1.635 20 5 FDBDLN CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000274144614 181033399 /nfs/dbraw/zinc/03/33/99/181033399.db2.gz XXSZDBWBSMABAU-SNVBAGLBSA-N 0 2 370.383 1.015 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000538757024 540888468 /nfs/dbraw/zinc/88/84/68/540888468.db2.gz OEMPFOWIRDVXDX-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN CN(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000543445608 541593191 /nfs/dbraw/zinc/59/31/91/541593191.db2.gz SLEJPTMVKFTYPA-UHFFFAOYSA-N 0 2 365.367 1.560 20 5 FDBDLN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000283214373 182129812 /nfs/dbraw/zinc/12/98/12/182129812.db2.gz XROYWYXNGBUJKF-VIFPVBQESA-N 0 2 363.399 1.737 20 5 FDBDLN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000286208965 183014153 /nfs/dbraw/zinc/01/41/53/183014153.db2.gz GELTXCHHWLNNRO-CYBMUJFWSA-N 0 2 362.260 1.868 20 5 FDBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cnc(N3CCOCC3)s2)[nH]1 ZINC000287023730 183196379 /nfs/dbraw/zinc/19/63/79/183196379.db2.gz GPDJHANJYHBWAX-OWOJBTEDSA-N 0 2 351.344 1.260 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000287156331 183224878 /nfs/dbraw/zinc/22/48/78/183224878.db2.gz FJPLSGZDMMIGFL-PWSUYJOCSA-N 0 2 371.415 1.138 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000184886632 177651231 /nfs/dbraw/zinc/65/12/31/177651231.db2.gz MEQPPZYEBOAIPX-NHYWBVRUSA-N 0 2 359.382 1.916 20 5 FDBDLN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280700633 258616087 /nfs/dbraw/zinc/61/60/87/258616087.db2.gz FOAOWYWMIZISSQ-UHFFFAOYSA-N 0 2 351.359 1.993 20 5 FDBDLN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280784197 258621449 /nfs/dbraw/zinc/62/14/49/258621449.db2.gz CVLQRCDKOHQPNS-RYUDHWBXSA-N 0 2 365.386 1.304 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000558402693 544421399 /nfs/dbraw/zinc/42/13/99/544421399.db2.gz HLJKZFHNCUEGFC-SNVBAGLBSA-N 0 2 361.358 1.837 20 5 FDBDLN COc1ccnc(N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000367494485 260050968 /nfs/dbraw/zinc/05/09/68/260050968.db2.gz DWVTYQIDQPVZDN-UHFFFAOYSA-N 0 2 373.369 1.954 20 5 FDBDLN O=C(c1ccncc1)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367505977 260052244 /nfs/dbraw/zinc/05/22/44/260052244.db2.gz RWULFKCYMYAUBV-UHFFFAOYSA-N 0 2 370.365 1.684 20 5 FDBDLN O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367696362 260079190 /nfs/dbraw/zinc/07/91/90/260079190.db2.gz HCMQTUCTJDPXFA-GFCCVEGCSA-N 0 2 357.370 1.737 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000367706263 260080396 /nfs/dbraw/zinc/08/03/96/260080396.db2.gz RJCWMAGBQZDTQB-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(c1ccncc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000368389722 260175872 /nfs/dbraw/zinc/17/58/72/260175872.db2.gz KCLVVACOQZLYIL-UHFFFAOYSA-N 0 2 370.365 1.684 20 5 FDBDLN COc1ccnc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000373470247 261013107 /nfs/dbraw/zinc/01/31/07/261013107.db2.gz FETPTOAHJVOARX-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000028932641 519258071 /nfs/dbraw/zinc/25/80/71/519258071.db2.gz NPOQCGQZQVOGDH-UHFFFAOYSA-N 0 2 374.378 1.930 20 5 FDBDLN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000135225613 524121584 /nfs/dbraw/zinc/12/15/84/524121584.db2.gz MSLQDAQCFUWJMA-NSHDSACASA-N 0 2 368.349 1.829 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000102632567 525297442 /nfs/dbraw/zinc/29/74/42/525297442.db2.gz FMFFUNPVINQSAO-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NOCCC(F)(F)F ZINC000162891974 525330661 /nfs/dbraw/zinc/33/06/61/525330661.db2.gz UUGPECNTUVAAFG-UHFFFAOYSA-N 0 2 369.683 1.978 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)cc1[N+](=O)[O-] ZINC000154523526 525562042 /nfs/dbraw/zinc/56/20/42/525562042.db2.gz BPQHIKBQXPYVFY-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000180186617 525673394 /nfs/dbraw/zinc/67/33/94/525673394.db2.gz HVIRJPNRKFZRCE-UHFFFAOYSA-N 0 2 363.149 1.850 20 5 FDBDLN Cc1ccc(-n2cnnn2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000181090121 525805079 /nfs/dbraw/zinc/80/50/79/525805079.db2.gz LZYWODVWOBZHSZ-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000182137312 526069320 /nfs/dbraw/zinc/06/93/20/526069320.db2.gz ASOQCYLFWUPFPK-LBPRGKRZSA-N 0 2 358.354 1.912 20 5 FDBDLN Cc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(=O)[nH]c1C ZINC000133880809 526103500 /nfs/dbraw/zinc/10/35/00/526103500.db2.gz CULVMLFUQHPSTB-UHFFFAOYSA-N 0 2 355.314 1.332 20 5 FDBDLN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185291167 536204596 /nfs/dbraw/zinc/20/45/96/536204596.db2.gz IRMNUEAEIVTPIZ-HNNXBMFYSA-N 0 2 360.370 1.620 20 5 FDBDLN Cc1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)s1 ZINC000267110706 536955921 /nfs/dbraw/zinc/95/59/21/536955921.db2.gz AOYJRCBAHAALMK-UHFFFAOYSA-N 0 2 372.428 1.873 20 5 FDBDLN COCCn1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC000189700933 537083482 /nfs/dbraw/zinc/08/34/82/537083482.db2.gz GEGZQDMNGLHYLK-UHFFFAOYSA-N 0 2 357.330 1.475 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n(C)n1 ZINC000191905030 537214617 /nfs/dbraw/zinc/21/46/17/537214617.db2.gz QZJNKBBAFMRFCJ-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000272361493 537271551 /nfs/dbraw/zinc/27/15/51/537271551.db2.gz FKBLRVJZNCYLRY-SWLSCSKDSA-N 0 2 362.338 1.858 20 5 FDBDLN CCn1nccc1N1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000276615123 537592532 /nfs/dbraw/zinc/59/25/32/537592532.db2.gz GORNEDYSSFZGIE-ZDUSSCGKSA-N 0 2 373.369 1.442 20 5 FDBDLN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000285264095 537672794 /nfs/dbraw/zinc/67/27/94/537672794.db2.gz PCQLPNKNXVIDOX-SECBINFHSA-N 0 2 352.372 1.361 20 5 FDBDLN CC(C)c1n[nH]c(=NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000432367427 538139079 /nfs/dbraw/zinc/13/90/79/538139079.db2.gz KNEAOVWBOGJNJG-UHFFFAOYSA-N 0 2 371.444 1.960 20 5 FDBDLN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1S(N)(=O)=O ZINC000446710652 538314266 /nfs/dbraw/zinc/31/42/66/538314266.db2.gz GYEQJWHQTISLMK-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN O=C(N=c1nc2n([nH]1)CCCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457156760 538477578 /nfs/dbraw/zinc/47/75/78/538477578.db2.gz QUUZCFWVBGQKEW-UHFFFAOYSA-N 0 2 353.342 1.961 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccnc2NC(C)=O)c([N+](=O)[O-])c1 ZINC000466954136 538582165 /nfs/dbraw/zinc/58/21/65/538582165.db2.gz IJWMUNWZMOBQJT-UHFFFAOYSA-N 0 2 366.355 1.758 20 5 FDBDLN CS(=O)(=O)Nc1cncc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000483443512 538701828 /nfs/dbraw/zinc/70/18/28/538701828.db2.gz XNMFLMSDZZSJSN-UHFFFAOYSA-N 0 2 352.328 1.319 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1F ZINC000561002798 545649063 /nfs/dbraw/zinc/64/90/63/545649063.db2.gz GRXPUEATTMEQJR-UHFFFAOYSA-N 0 2 369.330 1.600 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C2 ZINC000566342408 547721875 /nfs/dbraw/zinc/72/18/75/547721875.db2.gz KMDROWOYYGNSMY-NSHDSACASA-N 0 2 360.370 1.085 20 5 FDBDLN CC(C)[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000568006438 548358540 /nfs/dbraw/zinc/35/85/40/548358540.db2.gz DPALIXOORBDUIR-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c[nH]1 ZINC000585730830 551589457 /nfs/dbraw/zinc/58/94/57/551589457.db2.gz FNEVIAJLOZGEKU-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000594756811 552372356 /nfs/dbraw/zinc/37/23/56/552372356.db2.gz JQXWLQUHTIWKDP-MRVPVSSYSA-N 0 2 355.376 1.710 20 5 FDBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])n[nH]1 ZINC000594781976 552382849 /nfs/dbraw/zinc/38/28/49/552382849.db2.gz ZAELLVAFHFSBKH-IUCAKERBSA-N 0 2 354.392 1.661 20 5 FDBDLN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCOC1 ZINC000598169085 552871690 /nfs/dbraw/zinc/87/16/90/552871690.db2.gz SMNZOBDPXXMSJE-MRXNPFEDSA-N 0 2 352.343 1.531 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c[nH]1 ZINC000598733381 552928853 /nfs/dbraw/zinc/92/88/53/552928853.db2.gz BLENDEODJOEQAV-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN O=C(NC[C@H]1C[N@H+](Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600686611 553300775 /nfs/dbraw/zinc/30/07/75/553300775.db2.gz ZLWRIIMSVKIPCB-AWEZNQCLSA-N 0 2 372.381 1.326 20 5 FDBDLN O=C(NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600686611 553300777 /nfs/dbraw/zinc/30/07/77/553300777.db2.gz ZLWRIIMSVKIPCB-AWEZNQCLSA-N 0 2 372.381 1.326 20 5 FDBDLN CO[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 ZINC000600871983 553323102 /nfs/dbraw/zinc/32/31/02/553323102.db2.gz GQCMTSGWXYLJJA-SJKOYZFVSA-N 0 2 374.353 1.485 20 5 FDBDLN Cn1c(=O)c2ccccc2nc1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000603923777 553830506 /nfs/dbraw/zinc/83/05/06/553830506.db2.gz OUJQMKTUIZHWMX-UHFFFAOYSA-N 0 2 363.333 1.983 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000610796630 554563280 /nfs/dbraw/zinc/56/32/80/554563280.db2.gz RSQDXUVYDXKUIH-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(S(C)(=O)=O)c1 ZINC000436687628 568278938 /nfs/dbraw/zinc/27/89/38/568278938.db2.gz RVVBIBCUEPADKM-UHFFFAOYSA-N 0 2 366.351 1.965 20 5 FDBDLN O=C([O-])CCCC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000262283069 597766533 /nfs/dbraw/zinc/76/65/33/597766533.db2.gz VZMKRMCOJMWZNE-UHFFFAOYSA-N 0 2 371.415 1.156 20 5 FDBDLN CCc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736708525 598378479 /nfs/dbraw/zinc/37/84/79/598378479.db2.gz XWZRBMCFYQUPNM-UHFFFAOYSA-N 0 2 355.358 1.505 20 5 FDBDLN O=C([O-])CNC(=O)c1ccc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000739813786 599994363 /nfs/dbraw/zinc/99/43/63/599994363.db2.gz RXBNBHORHRYMAO-UHFFFAOYSA-N 0 2 373.369 1.554 20 5 FDBDLN Cc1cc(S(=O)(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000832902627 601260562 /nfs/dbraw/zinc/26/05/62/601260562.db2.gz BEYNBBPZFHWDIB-LBPRGKRZSA-N 0 2 371.415 1.073 20 5 FDBDLN C[C@H]1C[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@@H]1C(=O)[O-] ZINC000828463840 601817503 /nfs/dbraw/zinc/81/75/03/601817503.db2.gz RMYPEZOEDMTVMK-FZMZJTMJSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@H]1C[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@@H]1C(=O)[O-] ZINC000828463840 601817504 /nfs/dbraw/zinc/81/75/04/601817504.db2.gz RMYPEZOEDMTVMK-FZMZJTMJSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000828028856 601887649 /nfs/dbraw/zinc/88/76/49/601887649.db2.gz FOTMQKZCSIAKRX-QGZVFWFLSA-N 0 2 358.354 1.573 20 5 FDBDLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000828028856 601887652 /nfs/dbraw/zinc/88/76/52/601887652.db2.gz FOTMQKZCSIAKRX-QGZVFWFLSA-N 0 2 358.354 1.573 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583795 602705042 /nfs/dbraw/zinc/70/50/42/602705042.db2.gz HVRJYMDNVRRVTB-HUUCEWRRSA-N 0 2 362.386 1.774 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583795 602705044 /nfs/dbraw/zinc/70/50/44/602705044.db2.gz HVRJYMDNVRRVTB-HUUCEWRRSA-N 0 2 362.386 1.774 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740174946 602768310 /nfs/dbraw/zinc/76/83/10/602768310.db2.gz POZYTWSBQGEOEN-NWDGAFQWSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740174946 602768313 /nfs/dbraw/zinc/76/83/13/602768313.db2.gz POZYTWSBQGEOEN-NWDGAFQWSA-N 0 2 350.375 1.820 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](CNC(=O)[O-])C1 ZINC000828506463 604403194 /nfs/dbraw/zinc/40/31/94/604403194.db2.gz INRZJIJOJPWCBO-NSHDSACASA-N 0 2 361.358 1.100 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](CNC(=O)[O-])C1 ZINC000828506463 604403196 /nfs/dbraw/zinc/40/31/96/604403196.db2.gz INRZJIJOJPWCBO-NSHDSACASA-N 0 2 361.358 1.100 20 5 FDBDLN O=C([O-])NCCCOC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000834238481 605672524 /nfs/dbraw/zinc/67/25/24/605672524.db2.gz NNCSUAQZDRKMOO-UHFFFAOYSA-N 0 2 353.375 1.939 20 5 FDBDLN Cn1cc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000129826139 671788776 /nfs/dbraw/zinc/78/87/76/671788776.db2.gz IMOIVJSCWMJKPH-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN O=C([O-])[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCSC1 ZINC000262067080 672720128 /nfs/dbraw/zinc/72/01/28/672720128.db2.gz BTYWTSZHTZRYFJ-OAHLLOKOSA-N 0 2 362.367 1.471 20 5 FDBDLN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000290752075 676228936 /nfs/dbraw/zinc/22/89/36/676228936.db2.gz PWMWMKYAWQTPLZ-LBPRGKRZSA-N 0 2 355.347 1.779 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000363988660 676983496 /nfs/dbraw/zinc/98/34/96/676983496.db2.gz UVDCNHRSVPAYQL-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(Nc1ccc(S(=O)(=O)CCO)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436918623 681743340 /nfs/dbraw/zinc/74/33/40/681743340.db2.gz JMASPARGFHLGCV-UHFFFAOYSA-N 0 2 366.351 1.319 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000464461787 684746288 /nfs/dbraw/zinc/74/62/88/684746288.db2.gz BJDXJUJYQGGULS-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)c1 ZINC000484076785 686562303 /nfs/dbraw/zinc/56/23/03/686562303.db2.gz BDOWDWNWYQQENF-UHFFFAOYSA-N 0 2 367.339 1.447 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000376055194 785703403 /nfs/dbraw/zinc/70/34/03/785703403.db2.gz IRYBNURUEQMTGQ-UHFFFAOYSA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(N[C@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001143500859 792875163 /nfs/dbraw/zinc/87/51/63/792875163.db2.gz UCLHVODHIXAHPU-HUUCEWRRSA-N 0 2 350.371 1.740 20 5 FDBDLN COc1ccnc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000507787987 820239287 /nfs/dbraw/zinc/23/92/87/820239287.db2.gz XDHJGKACBZSZIQ-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN NC(=O)[C@@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)=NN1c1ccccc1 ZINC000760198189 832031575 /nfs/dbraw/zinc/03/15/75/832031575.db2.gz VPEMYSOUYKHTQX-AWEZNQCLSA-N 0 2 369.337 1.359 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000486789559 855415688 /nfs/dbraw/zinc/41/56/88/855415688.db2.gz ARZLGKFLFSOVBO-UHFFFAOYSA-N 0 2 370.365 1.588 20 5 FDBDLN O=C(NCC1=NC(=O)CC(=O)N1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001168431669 868013638 /nfs/dbraw/zinc/01/36/38/868013638.db2.gz XHPLWFMMDVAQSQ-UHFFFAOYSA-N 0 2 358.232 1.745 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC001005380219 883162839 /nfs/dbraw/zinc/16/28/39/883162839.db2.gz CWMYXDFIZRFRQO-HZPDHXFCSA-N 0 2 363.462 1.726 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])ccc1O ZINC000807385110 940343443 /nfs/dbraw/zinc/34/34/43/940343443.db2.gz LRCRVFUVTQGLCX-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN Cc1noc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809836504 940904420 /nfs/dbraw/zinc/90/44/20/940904420.db2.gz NAQNMEOBLLYNSA-UHFFFAOYSA-N 0 2 350.715 1.557 20 5 FDBDLN COC(=O)[C@@](C)(NC(=O)C(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300145 972774792 /nfs/dbraw/zinc/77/47/92/972774792.db2.gz FXEULLDOPBFBHD-LBPRGKRZSA-N 0 2 352.240 2.000 20 5 FDBDLN O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000864209829 979893088 /nfs/dbraw/zinc/89/30/88/979893088.db2.gz MUKLSCMKQSUTPV-PEBVRCNWSA-N 0 2 356.338 1.764 20 5 FDBDLN Cc1ccc(N2N=C(C(=O)Nc3cc([N+](=O)[O-])ccc3O)NCC2=O)cc1 ZINC000370315370 989654342 /nfs/dbraw/zinc/65/43/42/989654342.db2.gz JYOAJBYIDDEPFP-UHFFFAOYSA-N 0 2 369.337 1.497 20 5 FDBDLN CN(C)c1nc(C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cs1 ZINC001598348706 991436145 /nfs/dbraw/zinc/43/61/45/991436145.db2.gz FDBCPYZJECTETG-UHFFFAOYSA-N 0 2 366.399 1.871 20 5 FDBDLN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000267586846 999364545 /nfs/dbraw/zinc/36/45/45/999364545.db2.gz MWSJCEUSTPOALK-UHFFFAOYSA-N 0 2 362.342 1.494 20 5 FDBDLN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264526471 179128449 /nfs/dbraw/zinc/12/84/49/179128449.db2.gz DVHOHXRSVRNMJF-AAEUAGOBSA-N 0 2 365.386 1.304 20 5 FDBDLN C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000268263552 180039131 /nfs/dbraw/zinc/03/91/31/180039131.db2.gz ZRAGIOWZMOMHPQ-WFASDCNBSA-N 0 2 355.398 1.993 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000274761342 181161612 /nfs/dbraw/zinc/16/16/12/181161612.db2.gz IQZXJHUXDCHVTA-UHFFFAOYSA-N 0 2 368.411 1.874 20 5 FDBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@@H]3CCCO3)[nH]n2)c1 ZINC000531497870 540101201 /nfs/dbraw/zinc/10/12/01/540101201.db2.gz BNSVGUXSQLVTEC-LBPRGKRZSA-N 0 2 352.372 1.906 20 5 FDBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@@H]3CCCO3)n[nH]2)c1 ZINC000531497870 540101203 /nfs/dbraw/zinc/10/12/03/540101203.db2.gz BNSVGUXSQLVTEC-LBPRGKRZSA-N 0 2 352.372 1.906 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[nH]n1 ZINC000540978556 541129609 /nfs/dbraw/zinc/12/96/09/541129609.db2.gz RYUGUUUPVDLGQX-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]n1 ZINC000543448118 541593985 /nfs/dbraw/zinc/59/39/85/541593985.db2.gz UAFDAWSFCWTBFM-UHFFFAOYSA-N 0 2 374.762 1.949 20 5 FDBDLN O=c1nc2[nH]cc(-c3nc(Cc4ccc([N+](=O)[O-])cn4)no3)cc-2c(=O)[nH]1 ZINC000545071969 541869728 /nfs/dbraw/zinc/86/97/28/541869728.db2.gz RYRYHDCTPZIJSW-UHFFFAOYSA-N 0 2 367.281 1.380 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000283698790 182253388 /nfs/dbraw/zinc/25/33/88/182253388.db2.gz RYMRAMVBGZQGPU-NHYWBVRUSA-N 0 2 350.371 1.598 20 5 FDBDLN COC(=O)c1nscc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546088407 542094287 /nfs/dbraw/zinc/09/42/87/542094287.db2.gz MSIIHEAMYCVPLO-UHFFFAOYSA-N 0 2 357.369 1.780 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)[nH]n1 ZINC000546596408 542177903 /nfs/dbraw/zinc/17/79/03/542177903.db2.gz OCHKEWDCIMCLNR-UHFFFAOYSA-N 0 2 368.371 1.858 20 5 FDBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1Cc1ccncc1 ZINC000552413420 543463766 /nfs/dbraw/zinc/46/37/66/543463766.db2.gz CSRUCBRFQQALSK-UHFFFAOYSA-N 0 2 354.326 1.896 20 5 FDBDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000127498386 173078815 /nfs/dbraw/zinc/07/88/15/173078815.db2.gz DHCCXOBAWBJQTP-VIFPVBQESA-N 0 2 361.276 1.584 20 5 FDBDLN O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179508641 258352374 /nfs/dbraw/zinc/35/23/74/258352374.db2.gz CBNIDASSZCJKHT-CYBMUJFWSA-N 0 2 358.402 1.632 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000367499989 260051530 /nfs/dbraw/zinc/05/15/30/260051530.db2.gz IXZKUHOWRKYXBE-GFCCVEGCSA-N 0 2 363.370 1.011 20 5 FDBDLN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367532491 260057001 /nfs/dbraw/zinc/05/70/01/260057001.db2.gz BATHURPFMVZRIO-NHYWBVRUSA-N 0 2 360.370 1.620 20 5 FDBDLN COc1ccnc(N2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000367553716 260060587 /nfs/dbraw/zinc/06/05/87/260060587.db2.gz PDTUSJQUCNLKFR-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000367721998 260082226 /nfs/dbraw/zinc/08/22/26/260082226.db2.gz AXLNAIKIIPXKIC-UHFFFAOYSA-N 0 2 361.354 1.444 20 5 FDBDLN COCCn1cc2c(n1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000368128528 260138463 /nfs/dbraw/zinc/13/84/63/260138463.db2.gz HHIAUAOEZHAVRL-CYBMUJFWSA-N 0 2 360.370 1.951 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)c1ccncc1 ZINC000368437865 260183043 /nfs/dbraw/zinc/18/30/43/260183043.db2.gz XFCJZHCDVSIURZ-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000377484120 261806773 /nfs/dbraw/zinc/80/67/73/261806773.db2.gz IMYYSCQJGLRIQV-RISCZKNCSA-N 0 2 372.385 1.403 20 5 FDBDLN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000271577175 674356166 /nfs/dbraw/zinc/35/61/66/674356166.db2.gz RRTLTUMXYIIFCD-SNVBAGLBSA-N 0 2 357.388 1.301 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1-n1cnnn1 ZINC000055601824 523832886 /nfs/dbraw/zinc/83/28/86/523832886.db2.gz LUMPKKFIGJLHPJ-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)c(C)c2)c([N+](=O)[O-])c1 ZINC000158587537 524493614 /nfs/dbraw/zinc/49/36/14/524493614.db2.gz HIJFIPASEHVFEF-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164228571 525488339 /nfs/dbraw/zinc/48/83/39/525488339.db2.gz ZQYSENWYYDFDAH-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n(C)n1 ZINC000129661012 525680066 /nfs/dbraw/zinc/68/00/66/525680066.db2.gz ONIRDLWENKZREZ-UHFFFAOYSA-N 0 2 358.351 1.457 20 5 FDBDLN COc1ncnc(N(C)C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000119792321 525865702 /nfs/dbraw/zinc/86/57/02/525865702.db2.gz XJCIWSKGXHKYJB-UHFFFAOYSA-N 0 2 367.387 1.569 20 5 FDBDLN O=C(c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184594561 536169290 /nfs/dbraw/zinc/16/92/90/536169290.db2.gz UUIAPUZEHNSCNB-UHFFFAOYSA-N 0 2 355.350 1.899 20 5 FDBDLN CN1C(=O)C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000483441339 538702135 /nfs/dbraw/zinc/70/21/35/538702135.db2.gz QHRAWYUKUQDYSG-MLGOLLRUSA-N 0 2 356.338 1.854 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)Nc2ccc3nn[nH]c3c2)c([N+](=O)[O-])c1 ZINC000473621760 538785572 /nfs/dbraw/zinc/78/55/72/538785572.db2.gz CFPHMIMOERQVGG-UHFFFAOYSA-N 0 2 372.366 1.696 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@]1(C)C(=O)[O-] ZINC000563201240 546443038 /nfs/dbraw/zinc/44/30/38/546443038.db2.gz LIDKHAGLMNIILM-PIGZYNQJSA-N 0 2 358.354 1.963 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000564973108 547135857 /nfs/dbraw/zinc/13/58/57/547135857.db2.gz SSMRNYFRCVLAOP-UHFFFAOYSA-N 0 2 356.360 1.878 20 5 FDBDLN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000566297608 547700319 /nfs/dbraw/zinc/70/03/19/547700319.db2.gz RACDMJXHDXFTBD-UHFFFAOYSA-N 0 2 374.401 1.930 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2cnn(CC(=O)OC)c2)cc1[N+](=O)[O-] ZINC000570801159 549416999 /nfs/dbraw/zinc/41/69/99/549416999.db2.gz CGQZIBXAUKSQQH-UHFFFAOYSA-N 0 2 368.371 1.328 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c([N+](=O)[O-])c1 ZINC000577925452 550709030 /nfs/dbraw/zinc/70/90/30/550709030.db2.gz PCOYJRYZNWRBEM-UHFFFAOYSA-N 0 2 364.339 1.986 20 5 FDBDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000592903644 552041147 /nfs/dbraw/zinc/04/11/47/552041147.db2.gz WRDKEVSCHYAHBK-CYBMUJFWSA-N 0 2 361.276 1.441 20 5 FDBDLN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000593856633 552210309 /nfs/dbraw/zinc/21/03/09/552210309.db2.gz FEGKFMDIEBZHJK-ZDUSSCGKSA-N 0 2 366.370 1.921 20 5 FDBDLN O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[nH]1 ZINC000594555914 552333958 /nfs/dbraw/zinc/33/39/58/552333958.db2.gz PSCMJIHDORSILL-UHFFFAOYSA-N 0 2 366.353 1.439 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594721819 552364065 /nfs/dbraw/zinc/36/40/65/552364065.db2.gz WVRCSJFBKZPFEW-IAQYHMDHSA-N 0 2 374.415 1.534 20 5 FDBDLN CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000598045296 552860169 /nfs/dbraw/zinc/86/01/69/552860169.db2.gz ANPLQLPUWNPSNI-SNVBAGLBSA-N 0 2 350.249 1.914 20 5 FDBDLN CS(=O)(=O)C1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCCCC1 ZINC000598203994 552875384 /nfs/dbraw/zinc/87/53/84/552875384.db2.gz HACSXBVGECYJQE-UHFFFAOYSA-N 0 2 356.400 1.778 20 5 FDBDLN CCOc1ccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)nn1 ZINC000598505196 552903214 /nfs/dbraw/zinc/90/32/14/552903214.db2.gz FOEHWRSCCVSQHA-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000599365823 553037582 /nfs/dbraw/zinc/03/75/82/553037582.db2.gz LFRRLHPIHWLVRA-SECBINFHSA-N 0 2 365.293 1.268 20 5 FDBDLN CO[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@](C)(C(=O)[O-])C1 ZINC000600871981 553323046 /nfs/dbraw/zinc/32/30/46/553323046.db2.gz GQCMTSGWXYLJJA-PXAZEXFGSA-N 0 2 374.353 1.485 20 5 FDBDLN COCCCn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000609701861 554413417 /nfs/dbraw/zinc/41/34/17/554413417.db2.gz VIYGGXGJFSYQFO-UHFFFAOYSA-N 0 2 354.388 1.937 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N(C)C)cn1 ZINC000609720934 554415720 /nfs/dbraw/zinc/41/57/20/554415720.db2.gz BXKONYPIMSZQCH-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(N)=O)sc1C ZINC000619468014 555782225 /nfs/dbraw/zinc/78/22/25/555782225.db2.gz RPLYKPNVCOUJIK-UHFFFAOYSA-N 0 2 371.396 1.873 20 5 FDBDLN CCCS(=O)(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436673178 568261922 /nfs/dbraw/zinc/26/19/22/568261922.db2.gz PSPNZOCADOJKHX-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN COC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 ZINC000436696898 568343514 /nfs/dbraw/zinc/34/35/14/568343514.db2.gz IJRPCGZJSWXAOF-QGZVFWFLSA-N 0 2 359.338 1.904 20 5 FDBDLN CCc1nn(Cc2cccc([N+](=O)[O-])c2C)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736706471 598379771 /nfs/dbraw/zinc/37/97/71/598379771.db2.gz LURHXMSUJVAIAY-UHFFFAOYSA-N 0 2 369.385 1.813 20 5 FDBDLN O=C([O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000262656348 600136850 /nfs/dbraw/zinc/13/68/50/600136850.db2.gz KPNIEVPUFPINDO-SECBINFHSA-N 0 2 351.315 1.059 20 5 FDBDLN O=C([O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000262656348 600136851 /nfs/dbraw/zinc/13/68/51/600136851.db2.gz KPNIEVPUFPINDO-SECBINFHSA-N 0 2 351.315 1.059 20 5 FDBDLN O=C([O-])CNC(=O)c1ccc(N2CCC[C@@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000833252238 600813450 /nfs/dbraw/zinc/81/34/50/600813450.db2.gz KCIAQZPXJKAKLR-CYBMUJFWSA-N 0 2 373.369 1.447 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000739657216 601090551 /nfs/dbraw/zinc/09/05/51/601090551.db2.gz FKAWZDFXGHZOHI-LBPRGKRZSA-N 0 2 363.399 1.703 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000739657216 601090555 /nfs/dbraw/zinc/09/05/55/601090555.db2.gz FKAWZDFXGHZOHI-LBPRGKRZSA-N 0 2 363.399 1.703 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738631221 601978079 /nfs/dbraw/zinc/97/80/79/601978079.db2.gz MQLYJRHARQDLNY-FZMZJTMJSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738631221 601978081 /nfs/dbraw/zinc/97/80/81/601978081.db2.gz MQLYJRHARQDLNY-FZMZJTMJSA-N 0 2 350.375 1.996 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000739685646 602491277 /nfs/dbraw/zinc/49/12/77/602491277.db2.gz OXPRBJSKXVPCRU-QPJJXVBHSA-N 0 2 362.386 1.362 20 5 FDBDLN CCC[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739362674 602525811 /nfs/dbraw/zinc/52/58/11/602525811.db2.gz LKGYIYOLBHBCSM-GFCCVEGCSA-N 0 2 364.358 1.925 20 5 FDBDLN CCC[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739362674 602525812 /nfs/dbraw/zinc/52/58/12/602525812.db2.gz LKGYIYOLBHBCSM-GFCCVEGCSA-N 0 2 364.358 1.925 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000740635886 603048085 /nfs/dbraw/zinc/04/80/85/603048085.db2.gz VRNLTAAKHHSVLP-LBPRGKRZSA-N 0 2 360.374 1.790 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000740635886 603048090 /nfs/dbraw/zinc/04/80/90/603048090.db2.gz VRNLTAAKHHSVLP-LBPRGKRZSA-N 0 2 360.374 1.790 20 5 FDBDLN CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273297576 674525779 /nfs/dbraw/zinc/52/57/79/674525779.db2.gz ZDIWWYQMZYQGKO-GFCCVEGCSA-N 0 2 353.400 1.682 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](CNC(=O)[O-])C1 ZINC000828507051 604404515 /nfs/dbraw/zinc/40/45/15/604404515.db2.gz MRNZLAWQZHXAMM-NSHDSACASA-N 0 2 361.358 1.100 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](CNC(=O)[O-])C1 ZINC000828507051 604404517 /nfs/dbraw/zinc/40/45/17/604404517.db2.gz MRNZLAWQZHXAMM-NSHDSACASA-N 0 2 361.358 1.100 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000826272561 608106957 /nfs/dbraw/zinc/10/69/57/608106957.db2.gz PTHDNQWEOJBURH-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)ccc1[N+](=O)[O-] ZINC000826271336 608757345 /nfs/dbraw/zinc/75/73/45/608757345.db2.gz NKGBSTNXFMUMMW-UHFFFAOYSA-N 0 2 361.343 1.279 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1[N+](=O)[O-] ZINC000278110187 675095067 /nfs/dbraw/zinc/09/50/67/675095067.db2.gz ABFKJZNKPSBNBB-UHFFFAOYSA-N 0 2 356.360 1.986 20 5 FDBDLN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000294504329 676385818 /nfs/dbraw/zinc/38/58/18/676385818.db2.gz KAUGXCCONCYOGJ-LLVKDONJSA-N 0 2 363.267 1.780 20 5 FDBDLN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000294504329 676385822 /nfs/dbraw/zinc/38/58/22/676385822.db2.gz KAUGXCCONCYOGJ-LLVKDONJSA-N 0 2 363.267 1.780 20 5 FDBDLN COc1ncnc(N(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000427134983 680968011 /nfs/dbraw/zinc/96/80/11/680968011.db2.gz GPPXIRVGVAISBM-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)sc1SCC(N)=O ZINC000436949882 681746597 /nfs/dbraw/zinc/74/65/97/681746597.db2.gz SWRKATQPRVYNQF-UHFFFAOYSA-N 0 2 368.396 1.895 20 5 FDBDLN Cn1cnnc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462448683 684639014 /nfs/dbraw/zinc/63/90/14/684639014.db2.gz SQEAMHGCODHVKV-UHFFFAOYSA-N 0 2 366.186 1.509 20 5 FDBDLN COc1cccc(-c2nc(=NC(=O)c3nn(C)cc3[N+](=O)[O-])s[nH]2)c1 ZINC000502038286 688237816 /nfs/dbraw/zinc/23/78/16/688237816.db2.gz VJLZOOVOKUFLKV-UHFFFAOYSA-N 0 2 360.355 1.530 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000514677899 815923840 /nfs/dbraw/zinc/92/38/40/815923840.db2.gz MGFQDOLAOYXTHH-JVLSTEMRSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436871511 816769350 /nfs/dbraw/zinc/76/93/50/816769350.db2.gz NSHYJAKVFJMQEE-JTQLQIEISA-N 0 2 368.292 1.748 20 5 FDBDLN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436870671 816769381 /nfs/dbraw/zinc/76/93/81/816769381.db2.gz QXFZQICWWVERNR-NSHDSACASA-N 0 2 369.333 1.758 20 5 FDBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OCC(N)=O ZINC000436970936 816821028 /nfs/dbraw/zinc/82/10/28/816821028.db2.gz GSYAYWZRLVZPEH-UHFFFAOYSA-N 0 2 361.310 1.425 20 5 FDBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccc(O)cc1 ZINC000436989344 816835002 /nfs/dbraw/zinc/83/50/02/816835002.db2.gz OHXMDZPSQXWVJA-GFCCVEGCSA-N 0 2 374.349 1.768 20 5 FDBDLN CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)Nc1cc[nH]n1 ZINC000436985981 816843785 /nfs/dbraw/zinc/84/37/85/816843785.db2.gz DTARMOJQXGXRDQ-GFCCVEGCSA-N 0 2 361.358 1.807 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)NC3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)c2c1 ZINC000946705722 881427830 /nfs/dbraw/zinc/42/78/30/881427830.db2.gz PPAFFQPOBJRCKC-UKRRQHHQSA-N 0 2 371.397 1.257 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001138012989 941869829 /nfs/dbraw/zinc/86/98/29/941869829.db2.gz AJCIPXPCVNYBSI-YUMQZZPRSA-N 0 2 368.289 1.462 20 5 FDBDLN O=C1c2ccccc2C(=O)N1CC1(c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CCC1 ZINC000818429438 943253399 /nfs/dbraw/zinc/25/33/99/943253399.db2.gz MTNVDFLWKBVQKU-CHWSQXEVSA-N 0 2 368.349 1.920 20 5 FDBDLN CCn1ncn(NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c1=O ZINC000820388559 944025348 /nfs/dbraw/zinc/02/53/48/944025348.db2.gz RUFJHKGDYYGZOZ-UHFFFAOYSA-N 0 2 360.355 1.480 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c2nncn2ccc1C ZINC000820799244 944217185 /nfs/dbraw/zinc/21/71/85/944217185.db2.gz GLMGILFIPIAWAT-UHFFFAOYSA-N 0 2 363.355 1.755 20 5 FDBDLN Cn1cc(C[NH+]2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cn1 ZINC000844207724 947876498 /nfs/dbraw/zinc/87/64/98/947876498.db2.gz DFPZBAQYIMXICY-UHFFFAOYSA-N 0 2 359.386 1.278 20 5 FDBDLN Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210127 947877450 /nfs/dbraw/zinc/87/74/50/947877450.db2.gz ORGZXJUSYOFLLH-DEOSSOPVSA-N 0 2 355.416 1.102 20 5 FDBDLN O=C(Cc1cn2c([nH+]1)CCCC2)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000845466028 949312378 /nfs/dbraw/zinc/31/23/78/949312378.db2.gz CVEXHCOKDDZZOO-UHFFFAOYSA-N 0 2 370.412 1.237 20 5 FDBDLN C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nn(C)cc1O ZINC001179919735 965045554 /nfs/dbraw/zinc/04/55/54/965045554.db2.gz AXPJWHOFPCJCEA-SNVBAGLBSA-N 0 2 361.358 1.031 20 5 FDBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2[nH]nc3ccc(C)cc32)C1 ZINC000967950245 1014492325 /nfs/dbraw/zinc/49/23/25/1014492325.db2.gz QDWUESJEQMPTMY-UKRRQHHQSA-N 0 2 371.397 1.209 20 5 FDBDLN CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC001598506762 992514189 /nfs/dbraw/zinc/51/41/89/992514189.db2.gz GJBNOEALXSHBPJ-UHFFFAOYSA-N 0 2 351.403 1.836 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274244212 181054195 /nfs/dbraw/zinc/05/41/95/181054195.db2.gz WWZUWFFWZBPSHR-LBPRGKRZSA-N 0 2 361.320 1.957 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000536193832 540564170 /nfs/dbraw/zinc/56/41/70/540564170.db2.gz VRWPEQNBMUPUQS-UHFFFAOYSA-N 0 2 370.321 1.711 20 5 FDBDLN NS(=O)(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000537306767 540714588 /nfs/dbraw/zinc/71/45/88/540714588.db2.gz UMRPQGKDKFQKMG-UHFFFAOYSA-N 0 2 352.328 1.168 20 5 FDBDLN C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000538870161 540902716 /nfs/dbraw/zinc/90/27/16/540902716.db2.gz HTXNGAAHHXDRMK-ZETCQYMHSA-N 0 2 350.360 1.741 20 5 FDBDLN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539410271 540956492 /nfs/dbraw/zinc/95/64/92/540956492.db2.gz FCQCVDGFBMHJFM-CYBMUJFWSA-N 0 2 359.338 1.814 20 5 FDBDLN COc1ccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1[N+](=O)[O-] ZINC000541142465 541157449 /nfs/dbraw/zinc/15/74/49/541157449.db2.gz QTWYDWIIQLKZRI-UHFFFAOYSA-N 0 2 357.282 1.605 20 5 FDBDLN C[C@@H](NC(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000541367648 541195808 /nfs/dbraw/zinc/19/58/08/541195808.db2.gz QMUHPSHSAKGIFZ-SNVBAGLBSA-N 0 2 360.374 1.757 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c([N+](=O)[O-])n1 ZINC000541289545 541181284 /nfs/dbraw/zinc/18/12/84/541181284.db2.gz CVNQZWPBTQFMBZ-UHFFFAOYSA-N 0 2 369.407 1.709 20 5 FDBDLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000542518381 541418944 /nfs/dbraw/zinc/41/89/44/541418944.db2.gz XUHOHXDSGJLTQM-UHFFFAOYSA-N 0 2 355.303 1.138 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000543640575 541626450 /nfs/dbraw/zinc/62/64/50/541626450.db2.gz SRBJXMMXKVYJGN-UHFFFAOYSA-N 0 2 370.343 1.211 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000283651332 182241753 /nfs/dbraw/zinc/24/17/53/182241753.db2.gz OGUIVANJXBMKAF-DOMZBBRYSA-N 0 2 350.371 1.598 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000545558117 541998571 /nfs/dbraw/zinc/99/85/71/541998571.db2.gz OYHVIRIIDVXWOT-QWRGUYRKSA-N 0 2 371.415 1.315 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000545558117 541998575 /nfs/dbraw/zinc/99/85/75/541998575.db2.gz OYHVIRIIDVXWOT-QWRGUYRKSA-N 0 2 371.415 1.315 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-] ZINC000545915300 542049305 /nfs/dbraw/zinc/04/93/05/542049305.db2.gz MAMZCWWWUZSROE-UHFFFAOYSA-N 0 2 364.339 1.430 20 5 FDBDLN COC(=O)c1cc(C)nc(Nc2ccn(CC(=O)N(C)C)n2)c1[N+](=O)[O-] ZINC000287142468 183221756 /nfs/dbraw/zinc/22/17/56/183221756.db2.gz DUDVFRHQKXUAOO-UHFFFAOYSA-N 0 2 362.346 1.113 20 5 FDBDLN CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H](C)[S@]1=O ZINC000287364877 183273547 /nfs/dbraw/zinc/27/35/47/183273547.db2.gz NWBXKTYUSLBGDJ-WTLLHBGKSA-N 0 2 356.448 1.556 20 5 FDBDLN COCCOC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOCC1 ZINC000295315451 184058584 /nfs/dbraw/zinc/05/85/84/184058584.db2.gz APLJWRRTKPRCLT-UHFFFAOYSA-N 0 2 354.359 1.242 20 5 FDBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NCc1n[nH]c(C2CC2)n1 ZINC000295432548 184070096 /nfs/dbraw/zinc/07/00/96/184070096.db2.gz XSJBTPPITHABCG-UHFFFAOYSA-N 0 2 357.779 1.722 20 5 FDBDLN Cc1nn(C)c(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)c1[N+](=O)[O-] ZINC000549732455 542925662 /nfs/dbraw/zinc/92/56/62/542925662.db2.gz LZTJXYWSCBTXDC-UHFFFAOYSA-N 0 2 357.330 1.688 20 5 FDBDLN Cc1cc(Cn2nnc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2C)no1 ZINC000552399755 543462809 /nfs/dbraw/zinc/46/28/09/543462809.db2.gz TWIPUXRDSWXFCF-UHFFFAOYSA-N 0 2 358.314 1.797 20 5 FDBDLN CCCn1nc2c(cc1=O)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000371176356 260668802 /nfs/dbraw/zinc/66/88/02/260668802.db2.gz OVMJCUHTCVWRFC-UHFFFAOYSA-N 0 2 358.354 1.466 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000371980716 260798081 /nfs/dbraw/zinc/79/80/81/260798081.db2.gz PFQJNHADZLTVQN-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373343155 261002833 /nfs/dbraw/zinc/00/28/33/261002833.db2.gz HFDFMTRCJAKNRP-UHFFFAOYSA-N 0 2 361.314 1.882 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccc2N2CCOCC2)cc1 ZINC000375070475 261261963 /nfs/dbraw/zinc/26/19/63/261261963.db2.gz MXWPJHNWXVDOQQ-UHFFFAOYSA-N 0 2 364.383 1.627 20 5 FDBDLN O=C(CCCS(=O)(=O)N1CCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000271287856 674331935 /nfs/dbraw/zinc/33/19/35/674331935.db2.gz BEUOGWJKCFKBRS-UHFFFAOYSA-N 0 2 357.388 1.445 20 5 FDBDLN COc1ccc(NC(=O)C[C@H]2SC(N(C)C)=NC2=O)c([N+](=O)[O-])c1 ZINC000028757149 519249750 /nfs/dbraw/zinc/24/97/50/519249750.db2.gz SINKXADCBQRHQA-LLVKDONJSA-N 0 2 352.372 1.492 20 5 FDBDLN COc1ccc(NC(=O)CC2SC(N(C)C)=NC2=O)c([N+](=O)[O-])c1 ZINC000028757149 519249758 /nfs/dbraw/zinc/24/97/58/519249758.db2.gz SINKXADCBQRHQA-LLVKDONJSA-N 0 2 352.372 1.492 20 5 FDBDLN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000028924097 519258523 /nfs/dbraw/zinc/25/85/23/519258523.db2.gz CHQUCSKIUQCBCF-KRWDZBQOSA-N 0 2 370.365 1.637 20 5 FDBDLN CCN(C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)S(C)(=O)=O ZINC000066931783 523271392 /nfs/dbraw/zinc/27/13/92/523271392.db2.gz UQXHYFFIGJMTCS-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(=O)OC)n1 ZINC000067890825 523623726 /nfs/dbraw/zinc/62/37/26/523623726.db2.gz XOEPDDHUJUVZKB-UHFFFAOYSA-N 0 2 368.371 1.328 20 5 FDBDLN NC(=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000175454610 524963431 /nfs/dbraw/zinc/96/34/31/524963431.db2.gz MGSIQOXLKGBCCR-UHFFFAOYSA-N 0 2 359.747 1.419 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(C)n1 ZINC000178315940 525411406 /nfs/dbraw/zinc/41/14/06/525411406.db2.gz XHJDDOVOTQUNRU-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000171156617 525875866 /nfs/dbraw/zinc/87/58/66/525875866.db2.gz ASTQGKZQKFRHCD-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263203315 536991922 /nfs/dbraw/zinc/99/19/22/536991922.db2.gz YUAVEDFHIIQZSE-QWHCGFSZSA-N 0 2 374.353 1.485 20 5 FDBDLN O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1O ZINC000376045969 537824691 /nfs/dbraw/zinc/82/46/91/537824691.db2.gz TUQJYBNCUSYCDU-ZDUSSCGKSA-N 0 2 370.321 1.814 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnn(C)c2C)cc([N+](=O)[O-])c1 ZINC000427249758 538185213 /nfs/dbraw/zinc/18/52/13/538185213.db2.gz LMDCVJXUOBQWGX-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000427828779 538240714 /nfs/dbraw/zinc/24/07/14/538240714.db2.gz QGDANDSWBQXAAC-UHFFFAOYSA-N 0 2 373.372 1.079 20 5 FDBDLN O=c1[nH]nc(CNc2c3cc(Br)ccc3ncc2[N+](=O)[O-])[nH]1 ZINC000446863225 538324866 /nfs/dbraw/zinc/32/48/66/538324866.db2.gz WIYWIUKEJRSNPK-UHFFFAOYSA-N 0 2 365.147 1.763 20 5 FDBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccc(O)cc1 ZINC000500927671 538579566 /nfs/dbraw/zinc/57/95/66/538579566.db2.gz SQALOEPODXDLCR-CYBMUJFWSA-N 0 2 374.349 1.768 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000466958420 538584569 /nfs/dbraw/zinc/58/45/69/538584569.db2.gz VJGXNESKDCSDEE-UHFFFAOYSA-N 0 2 373.416 1.050 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565061423 547182073 /nfs/dbraw/zinc/18/20/73/547182073.db2.gz SJXXDVXQKIYNRV-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565061423 547182080 /nfs/dbraw/zinc/18/20/80/547182080.db2.gz SJXXDVXQKIYNRV-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN COC(=O)c1cnc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000565946688 547541556 /nfs/dbraw/zinc/54/15/56/547541556.db2.gz LCKZKNHQFYXEOW-SSDOTTSWSA-N 0 2 372.384 1.272 20 5 FDBDLN C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517817 548570734 /nfs/dbraw/zinc/57/07/34/548570734.db2.gz CAJZEGBSKVITPL-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517817 548570738 /nfs/dbraw/zinc/57/07/38/548570738.db2.gz CAJZEGBSKVITPL-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nncn1-c1cccnc1 ZINC000569029748 548773720 /nfs/dbraw/zinc/77/37/20/548773720.db2.gz BAYKXMCXDYNEDT-UHFFFAOYSA-N 0 2 360.355 1.512 20 5 FDBDLN CC[C@H](C(=O)OC)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000577781953 550694376 /nfs/dbraw/zinc/69/43/76/550694376.db2.gz OQSPUWOQSXWJAK-GFCCVEGCSA-N 0 2 351.359 1.010 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000581184635 551061316 /nfs/dbraw/zinc/06/13/16/551061316.db2.gz BPVGXPDOAZPLAM-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000590368216 551776585 /nfs/dbraw/zinc/77/65/85/551776585.db2.gz TWNIIEGPIRJQEN-ZJUUUORDSA-N 0 2 374.353 1.794 20 5 FDBDLN O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000593287767 552083629 /nfs/dbraw/zinc/08/36/29/552083629.db2.gz CWRRITHIIBWVCA-LLVKDONJSA-N 0 2 365.361 1.631 20 5 FDBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])n[nH]1 ZINC000594781974 552383022 /nfs/dbraw/zinc/38/30/22/552383022.db2.gz ZAELLVAFHFSBKH-BDAKNGLRSA-N 0 2 354.392 1.661 20 5 FDBDLN Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595977852 552640697 /nfs/dbraw/zinc/64/06/97/552640697.db2.gz JBMVCEAYHRVWMR-BNOWGMLFSA-N 0 2 358.354 1.418 20 5 FDBDLN CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOC1 ZINC000598152151 552869174 /nfs/dbraw/zinc/86/91/74/552869174.db2.gz DHNUCXMVFJOGQJ-INIZCTEOSA-N 0 2 352.343 1.531 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncc(C(N)=O)s2)c1C ZINC000608927906 554329465 /nfs/dbraw/zinc/32/94/65/554329465.db2.gz PRAVTGWUPZQCDJ-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN COc1ccc(-c2n[nH]c(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)cc1OC ZINC000611236558 554618603 /nfs/dbraw/zinc/61/86/03/554618603.db2.gz ZHDWRRDDWVAJBW-UHFFFAOYSA-N 0 2 373.329 1.383 20 5 FDBDLN CCc1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000611498276 554638286 /nfs/dbraw/zinc/63/82/86/554638286.db2.gz TZBHMPNQSGOLLE-UHFFFAOYSA-N 0 2 355.328 1.717 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c[nH]1 ZINC000618906615 555693772 /nfs/dbraw/zinc/69/37/72/555693772.db2.gz QQLMTQOPTNLZNL-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436634363 568201078 /nfs/dbraw/zinc/20/10/78/568201078.db2.gz KJEQEJRDPHVZRY-ZWNOBZJWSA-N 0 2 371.415 1.138 20 5 FDBDLN CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCOC1 ZINC000436659540 568252801 /nfs/dbraw/zinc/25/28/01/568252801.db2.gz PJHWCCAFJKFOTN-IINYFYTJSA-N 0 2 352.343 1.389 20 5 FDBDLN COCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)sc1C(=O)OC ZINC000436668405 568260187 /nfs/dbraw/zinc/26/01/87/568260187.db2.gz XZGVUPFGOMIGHE-UHFFFAOYSA-N 0 2 367.339 1.942 20 5 FDBDLN Cc1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1[C@@H](C)O ZINC000272129727 674416611 /nfs/dbraw/zinc/41/66/11/674416611.db2.gz RWRTZPGNRTZCEB-SNVBAGLBSA-N 0 2 369.374 1.969 20 5 FDBDLN O=C([O-])CCCC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000262205751 597766199 /nfs/dbraw/zinc/76/61/99/597766199.db2.gz IAIUMAZDSISRRQ-UHFFFAOYSA-N 0 2 371.415 1.156 20 5 FDBDLN CC1(C)C[N@H+](CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000736735065 599701711 /nfs/dbraw/zinc/70/17/11/599701711.db2.gz FXNGQQUGPBSTSO-UHFFFAOYSA-N 0 2 351.359 1.134 20 5 FDBDLN CC1(C)C[N@@H+](CCNC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000736735065 599701712 /nfs/dbraw/zinc/70/17/12/599701712.db2.gz FXNGQQUGPBSTSO-UHFFFAOYSA-N 0 2 351.359 1.134 20 5 FDBDLN C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000736815327 601109291 /nfs/dbraw/zinc/10/92/91/601109291.db2.gz ZMPLVDDNMOZEGQ-NHYWBVRUSA-N 0 2 363.370 1.086 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000739584695 601971523 /nfs/dbraw/zinc/97/15/23/601971523.db2.gz MCSPWPRYAWNJMW-AWEZNQCLSA-N 0 2 362.386 1.558 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000739584695 601971524 /nfs/dbraw/zinc/97/15/24/601971524.db2.gz MCSPWPRYAWNJMW-AWEZNQCLSA-N 0 2 362.386 1.558 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641243 601979776 /nfs/dbraw/zinc/97/97/76/601979776.db2.gz ZJQPNBGMJORXBK-VXGBXAGGSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641243 601979777 /nfs/dbraw/zinc/97/97/77/601979777.db2.gz ZJQPNBGMJORXBK-VXGBXAGGSA-N 0 2 350.375 1.996 20 5 FDBDLN CN(C(=O)[O-])C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000737937480 602534984 /nfs/dbraw/zinc/53/49/84/602534984.db2.gz DXILWFJFQYQXIE-UHFFFAOYSA-N 0 2 362.386 1.558 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000739685553 602625497 /nfs/dbraw/zinc/62/54/97/602625497.db2.gz XKHGJDQLHPHTBN-UHFFFAOYSA-N 0 2 365.390 1.032 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828500852 604409246 /nfs/dbraw/zinc/40/92/46/604409246.db2.gz PXMHZOCHQIYICB-LBPRGKRZSA-N 0 2 370.793 1.201 20 5 FDBDLN C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828500852 604409249 /nfs/dbraw/zinc/40/92/49/604409249.db2.gz PXMHZOCHQIYICB-LBPRGKRZSA-N 0 2 370.793 1.201 20 5 FDBDLN O=C([O-])N1CCC[C@H]1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000834288100 605610797 /nfs/dbraw/zinc/61/07/97/605610797.db2.gz SXLDUTUCUQSWGI-HNNXBMFYSA-N 0 2 362.386 1.495 20 5 FDBDLN CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1CCCS1(=O)=O ZINC000273335344 674528656 /nfs/dbraw/zinc/52/86/56/674528656.db2.gz JXPLXWJZLYPEGB-ZDUSSCGKSA-N 0 2 357.388 1.299 20 5 FDBDLN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000285295248 675818584 /nfs/dbraw/zinc/81/85/84/675818584.db2.gz RDOWRYWUSSCVLH-SECBINFHSA-N 0 2 352.372 1.361 20 5 FDBDLN CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000372272802 677883749 /nfs/dbraw/zinc/88/37/49/677883749.db2.gz JFVKMJATJMCBAG-VXGBXAGGSA-N 0 2 352.343 1.483 20 5 FDBDLN COc1nn(C)cc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000473479615 685299765 /nfs/dbraw/zinc/29/97/65/685299765.db2.gz PDFWNEGNSDSUPV-UHFFFAOYSA-N 0 2 360.323 1.285 20 5 FDBDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436758268 681722129 /nfs/dbraw/zinc/72/21/29/681722129.db2.gz WTCNZFCQFYOMMF-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436865960 681739388 /nfs/dbraw/zinc/73/93/88/681739388.db2.gz VLXLXUACQTXILP-GFCCVEGCSA-N 0 2 350.302 1.609 20 5 FDBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000436981995 681750750 /nfs/dbraw/zinc/75/07/50/681750750.db2.gz FFHQVQXDNKCIJD-CYBMUJFWSA-N 0 2 352.343 1.246 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2c(C)n[nH]c2C)cc([N+](=O)[O-])c1 ZINC000438727791 681877308 /nfs/dbraw/zinc/87/73/08/681877308.db2.gz SICOWDUZTMIHNB-UHFFFAOYSA-N 0 2 354.344 1.522 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000451109793 682820723 /nfs/dbraw/zinc/82/07/23/682820723.db2.gz WFEXHQSABQJMQK-UHFFFAOYSA-N 0 2 353.360 1.332 20 5 FDBDLN O=C([O-])CCC1CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000518200673 690124401 /nfs/dbraw/zinc/12/44/01/690124401.db2.gz OXYABVPPZCFEJY-UHFFFAOYSA-N 0 2 370.427 1.945 20 5 FDBDLN CN(CCc1ccccn1)C(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511484124 787010138 /nfs/dbraw/zinc/01/01/38/787010138.db2.gz XAURXOGDWGBVTL-UHFFFAOYSA-N 0 2 358.354 1.126 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)N[C@H]3C[C@H](CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000979759005 806434018 /nfs/dbraw/zinc/43/40/18/806434018.db2.gz YOYINZJUGOKURD-NLRBGTRBSA-N 0 2 371.397 1.161 20 5 FDBDLN COC(=O)CNC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505255600 815461606 /nfs/dbraw/zinc/46/16/06/815461606.db2.gz UTJQSXUZGPJXEM-UHFFFAOYSA-N 0 2 373.321 1.456 20 5 FDBDLN O=C(c1cccnc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000507659536 818863070 /nfs/dbraw/zinc/86/30/70/818863070.db2.gz KUTJPWFEOSNXLJ-UHFFFAOYSA-N 0 2 356.338 1.294 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476132351 839940036 /nfs/dbraw/zinc/94/00/36/839940036.db2.gz DVJJCYVADBUWPW-UHFFFAOYSA-N 0 2 357.326 1.596 20 5 FDBDLN CCN1C(C)=C(C(=O)N(C)C)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC1=S ZINC000916164026 881421700 /nfs/dbraw/zinc/42/17/00/881421700.db2.gz SEUAUIILAIIASI-CQSZACIVSA-N 0 2 364.427 1.914 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000273296192 912235792 /nfs/dbraw/zinc/23/57/92/912235792.db2.gz YYHXRNCLIPVBLT-UHFFFAOYSA-N 0 2 363.370 1.011 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734897336 923842096 /nfs/dbraw/zinc/84/20/96/923842096.db2.gz YSIHIUPQXABOBW-UHFFFAOYSA-N 0 2 363.717 1.376 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc([C@H](C)OC)ns1 ZINC000788211556 932603924 /nfs/dbraw/zinc/60/39/24/932603924.db2.gz DUFRIDHTLFJIOV-ZETCQYMHSA-N 0 2 374.400 1.963 20 5 FDBDLN COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000788279440 932637088 /nfs/dbraw/zinc/63/70/88/932637088.db2.gz GJYASZUKTYPKDT-HNNXBMFYSA-N 0 2 362.338 1.781 20 5 FDBDLN CCn1ncn(NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1=O ZINC000816735590 942315189 /nfs/dbraw/zinc/31/51/89/942315189.db2.gz NZDDFKNRJQZWDR-UHFFFAOYSA-N 0 2 360.355 1.480 20 5 FDBDLN O=C(Nc1nc2cc(I)ccc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856203867 970979032 /nfs/dbraw/zinc/97/90/32/970979032.db2.gz SIKZKHKOKZUFMV-HZGVNTEJSA-N 0 2 372.122 1.771 20 5 FDBDLN O=C(Nc1nc2ccc(I)cc2[nH]1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856203867 970979037 /nfs/dbraw/zinc/97/90/37/970979037.db2.gz SIKZKHKOKZUFMV-HZGVNTEJSA-N 0 2 372.122 1.771 20 5 FDBDLN O=C([O-])[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C1CC1 ZINC001595190302 952278449 /nfs/dbraw/zinc/27/84/49/952278449.db2.gz RAPLYZQSTVAKEE-UONOGXRCSA-N 0 2 370.365 1.963 20 5 FDBDLN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000775375023 967778948 /nfs/dbraw/zinc/77/89/48/967778948.db2.gz QLEKCZISXNEOEB-QWRGUYRKSA-N 0 2 351.359 1.897 20 5 FDBDLN COC(=O)c1coc(CNS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])c1 ZINC001193120515 969485031 /nfs/dbraw/zinc/48/50/31/969485031.db2.gz MHQLJSAFMDLGJC-UHFFFAOYSA-N 0 2 360.369 1.823 20 5 FDBDLN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000776205190 975134380 /nfs/dbraw/zinc/13/43/80/975134380.db2.gz SRMWPHRFKAFLDV-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000866282699 975524569 /nfs/dbraw/zinc/52/45/69/975524569.db2.gz NQDQHSPWOQSSDL-CYBMUJFWSA-N 0 2 365.283 1.874 20 5 FDBDLN C[C@@](NC(=O)[C@H]1CCc2[nH+]ccn2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009002 980233841 /nfs/dbraw/zinc/23/38/41/980233841.db2.gz MCMBXKKZUQHZHW-GTNSWQLSSA-N 0 2 358.354 1.470 20 5 FDBDLN Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)ncn1 ZINC000364368800 989551417 /nfs/dbraw/zinc/55/14/17/989551417.db2.gz JSTNRMIHDCBABU-UHFFFAOYSA-N 0 2 357.370 1.798 20 5 FDBDLN CN(C)c1noc(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000193135976 178149753 /nfs/dbraw/zinc/14/97/53/178149753.db2.gz CRNCJNNZDKNXPF-UHFFFAOYSA-N 0 2 361.358 1.769 20 5 FDBDLN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274651734 181138812 /nfs/dbraw/zinc/13/88/12/181138812.db2.gz DQRXSLUROJODDQ-GXFFZTMASA-N 0 2 367.427 1.976 20 5 FDBDLN CCn1cc(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])n1 ZINC000532765706 540187078 /nfs/dbraw/zinc/18/70/78/540187078.db2.gz FDZSHBDOQBTAQI-UHFFFAOYSA-N 0 2 362.371 1.798 20 5 FDBDLN CC(C)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)n1cc([N+](=O)[O-])cn1 ZINC000533723140 540280991 /nfs/dbraw/zinc/28/09/91/540280991.db2.gz KIISTEUKQFLIHH-UHFFFAOYSA-N 0 2 359.371 1.501 20 5 FDBDLN CCNS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000537769068 540772429 /nfs/dbraw/zinc/77/24/29/540772429.db2.gz CAKPVACQRGMMHT-UHFFFAOYSA-N 0 2 365.367 1.851 20 5 FDBDLN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539489857 540966277 /nfs/dbraw/zinc/96/62/77/540966277.db2.gz JHWGMNQSZIMQEJ-UHFFFAOYSA-N 0 2 354.322 1.957 20 5 FDBDLN Cc1nn(CCC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c(C)c1[N+](=O)[O-] ZINC000539919376 541006651 /nfs/dbraw/zinc/00/66/51/541006651.db2.gz HNXDWNRWJXNHRJ-UHFFFAOYSA-N 0 2 363.378 1.028 20 5 FDBDLN COC(=O)c1nscc1S(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000542003495 541317269 /nfs/dbraw/zinc/31/72/69/541317269.db2.gz RMZAGJJLIGUSFS-UHFFFAOYSA-N 0 2 373.368 1.647 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000542711932 541452286 /nfs/dbraw/zinc/45/22/86/541452286.db2.gz LVEZUWFPIFPYGV-UHFFFAOYSA-N 0 2 358.307 1.342 20 5 FDBDLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000544407644 541765744 /nfs/dbraw/zinc/76/57/44/541765744.db2.gz GWPKAEFUUONSEY-UHFFFAOYSA-N 0 2 371.396 1.006 20 5 FDBDLN CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000548723448 542763805 /nfs/dbraw/zinc/76/38/05/542763805.db2.gz PRAVZCJFYUYMJE-MRVPVSSYSA-N 0 2 365.350 1.130 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N(CCO)CCOCC(F)(F)F ZINC000552387382 543460165 /nfs/dbraw/zinc/46/01/65/543460165.db2.gz DKFZKKXDTNSGNL-UHFFFAOYSA-N 0 2 352.265 1.314 20 5 FDBDLN CN(C)c1n[nH]c(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000559315928 544641324 /nfs/dbraw/zinc/64/13/24/544641324.db2.gz NGIYNOFRELDRLZ-UHFFFAOYSA-N 0 2 360.374 1.504 20 5 FDBDLN O=C(c1ccco1)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367155835 260003108 /nfs/dbraw/zinc/00/31/08/260003108.db2.gz HPXMANYTBRSXCZ-UHFFFAOYSA-N 0 2 359.338 1.882 20 5 FDBDLN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367218092 260011148 /nfs/dbraw/zinc/01/11/48/260011148.db2.gz QATNESWERSZGAP-INIZCTEOSA-N 0 2 367.427 1.238 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2c(Br)cnc2C1 ZINC000367268239 260018526 /nfs/dbraw/zinc/01/85/26/260018526.db2.gz VMBXXBLPSARHSW-UHFFFAOYSA-N 0 2 367.159 1.915 20 5 FDBDLN O=C(Nc1cnccn1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000368400432 260177476 /nfs/dbraw/zinc/17/74/76/260177476.db2.gz RYRDGFMIBNTWKL-UHFFFAOYSA-N 0 2 371.353 1.581 20 5 FDBDLN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000369494567 260376915 /nfs/dbraw/zinc/37/69/15/260376915.db2.gz RPAYZHICCBGDQY-CABCVRRESA-N 0 2 350.371 1.693 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2nncn2C)ccn1 ZINC000372367162 260853966 /nfs/dbraw/zinc/85/39/66/260853966.db2.gz PNALFERKMNRHHA-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCCn1cc([N+](=O)[O-])cn1 ZINC000373422992 261009260 /nfs/dbraw/zinc/00/92/60/261009260.db2.gz PYYPGZGGJBABLZ-UHFFFAOYSA-N 0 2 365.400 1.615 20 5 FDBDLN CO[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnn(C)c1 ZINC000409659112 262131276 /nfs/dbraw/zinc/13/12/76/262131276.db2.gz ITRKREXIOIRXCV-GFCCVEGCSA-N 0 2 357.330 1.440 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1[N+](=O)[O-] ZINC000270496165 674218711 /nfs/dbraw/zinc/21/87/11/674218711.db2.gz VOKVBAIPHCJHPT-UHFFFAOYSA-N 0 2 352.372 1.626 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC000055580787 523829536 /nfs/dbraw/zinc/82/95/36/523829536.db2.gz OSMLYQNILMKLAF-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1C ZINC000158724097 524517544 /nfs/dbraw/zinc/51/75/44/524517544.db2.gz FFFLAIJYRVZIEY-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CN(C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000151308495 524553606 /nfs/dbraw/zinc/55/36/06/524553606.db2.gz BIPRROFVQXLCRD-UHFFFAOYSA-N 0 2 355.398 1.775 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160635304 524934125 /nfs/dbraw/zinc/93/41/25/524934125.db2.gz DBQUFOHZNKCAKF-UHFFFAOYSA-N 0 2 360.355 1.023 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c([N+](=O)[O-])c1 ZINC000154520512 525559011 /nfs/dbraw/zinc/55/90/11/525559011.db2.gz ICJIOAXECUAAMC-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n(C)n1 ZINC000129668999 525679052 /nfs/dbraw/zinc/67/90/52/525679052.db2.gz WTZDQVPWEXUINB-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n(C)n1 ZINC000129664945 525680036 /nfs/dbraw/zinc/68/00/36/525680036.db2.gz VTQSQFFBDFSUMR-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182088019 526049941 /nfs/dbraw/zinc/04/99/41/526049941.db2.gz VDZCHFJTVPPXAU-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN Cc1ccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000184627898 536171155 /nfs/dbraw/zinc/17/11/55/536171155.db2.gz SUVYZKSEUIIDBQ-UHFFFAOYSA-N 0 2 361.329 1.908 20 5 FDBDLN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCO2)n1 ZINC000185830880 536218839 /nfs/dbraw/zinc/21/88/39/536218839.db2.gz ILHMUVRQCVEQEY-AWEZNQCLSA-N 0 2 360.370 1.655 20 5 FDBDLN O=C([O-])C[C@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263290438 537011130 /nfs/dbraw/zinc/01/11/30/537011130.db2.gz LHTDAFMIKFQKEA-LBPRGKRZSA-N 0 2 360.326 1.096 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000298877887 537352832 /nfs/dbraw/zinc/35/28/32/537352832.db2.gz XPKBWWVWLWWWQJ-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN Cc1nnc(N2C[C@@H](F)C[C@H]2CNC(=O)c2cc(O)ccc2[N+](=O)[O-])o1 ZINC000376008880 537820510 /nfs/dbraw/zinc/82/05/10/537820510.db2.gz MQGLZADQTLLLQL-UWVGGRQHSA-N 0 2 365.321 1.339 20 5 FDBDLN COC(=O)c1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3O)nc2c1 ZINC000436749712 538414321 /nfs/dbraw/zinc/41/43/21/538414321.db2.gz KVCICLQRHSDNAX-UHFFFAOYSA-N 0 2 370.321 1.893 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1[N+](=O)[O-] ZINC000494424094 538542090 /nfs/dbraw/zinc/54/20/90/538542090.db2.gz VWEHFGMRZSAUCT-UHFFFAOYSA-N 0 2 361.343 1.075 20 5 FDBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC000501269362 538651571 /nfs/dbraw/zinc/65/15/71/538651571.db2.gz BWYRCNZMPJLAAD-UHFFFAOYSA-N 0 2 370.774 1.851 20 5 FDBDLN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000467774061 538687155 /nfs/dbraw/zinc/68/71/55/538687155.db2.gz TYRWWPSMUPEMMN-UHFFFAOYSA-N 0 2 372.380 1.505 20 5 FDBDLN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560623755 545559224 /nfs/dbraw/zinc/55/92/24/545559224.db2.gz USKQMQZKIAJSRO-HNNXBMFYSA-N 0 2 370.365 1.616 20 5 FDBDLN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483442857 538701707 /nfs/dbraw/zinc/70/17/07/538701707.db2.gz BJJZZSHIKNUXSN-RYUDHWBXSA-N 0 2 361.354 1.804 20 5 FDBDLN CNc1nccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000561103529 545686774 /nfs/dbraw/zinc/68/67/74/545686774.db2.gz GSLZNYWLRZZMLQ-UHFFFAOYSA-N 0 2 374.382 2.014 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000569771687 549041478 /nfs/dbraw/zinc/04/14/78/549041478.db2.gz DBZOJXUZUYUCQL-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(Nc1ccc(S(=O)(=O)CCO)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000574046592 550251528 /nfs/dbraw/zinc/25/15/28/550251528.db2.gz GWFOJYCXZMMTCJ-UHFFFAOYSA-N 0 2 366.351 1.319 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2ccn(CCOC)n2)cc1[N+](=O)[O-] ZINC000579712651 550902493 /nfs/dbraw/zinc/90/24/93/550902493.db2.gz WOSKBZZXRIZSNA-UHFFFAOYSA-N 0 2 354.388 1.801 20 5 FDBDLN O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000588842973 551692439 /nfs/dbraw/zinc/69/24/39/551692439.db2.gz IFIAQBJRROENRR-LLVKDONJSA-N 0 2 361.358 1.325 20 5 FDBDLN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nn1 ZINC000593747745 552189779 /nfs/dbraw/zinc/18/97/79/552189779.db2.gz BFLUHTHFIICOQX-NSHDSACASA-N 0 2 371.357 1.598 20 5 FDBDLN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nn1 ZINC000593747745 552189781 /nfs/dbraw/zinc/18/97/81/552189781.db2.gz BFLUHTHFIICOQX-NSHDSACASA-N 0 2 371.357 1.598 20 5 FDBDLN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593855955 552210467 /nfs/dbraw/zinc/21/04/67/552210467.db2.gz AEKJOPOSKSVYGL-GFCCVEGCSA-N 0 2 366.370 1.921 20 5 FDBDLN CCOC(=O)Cn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000594465708 552316621 /nfs/dbraw/zinc/31/66/21/552316621.db2.gz FPRVOPPIQJQLRQ-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN CC(C)(C)OC(=O)[C@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOC1 ZINC000598156983 552869994 /nfs/dbraw/zinc/86/99/94/552869994.db2.gz GHMJVAKHUOGHHZ-INIZCTEOSA-N 0 2 352.343 1.531 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC3CCCCC3)o2)n1 ZINC000600666800 553296502 /nfs/dbraw/zinc/29/65/02/553296502.db2.gz FSGTVYYQDMGGNU-UHFFFAOYSA-N 0 2 370.391 1.635 20 5 FDBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000600667329 553296899 /nfs/dbraw/zinc/29/68/99/553296899.db2.gz ZIEJVEYAMZIXHL-UHFFFAOYSA-N 0 2 352.376 1.359 20 5 FDBDLN C[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600709578 553305504 /nfs/dbraw/zinc/30/55/04/553305504.db2.gz RJOBLGCJWDUYMQ-OAHLLOKOSA-N 0 2 351.315 1.201 20 5 FDBDLN C[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600709578 553305505 /nfs/dbraw/zinc/30/55/05/553305505.db2.gz RJOBLGCJWDUYMQ-OAHLLOKOSA-N 0 2 351.315 1.201 20 5 FDBDLN Cc1ccn2cc(CNS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)[nH+]c2c1 ZINC000604127279 553844634 /nfs/dbraw/zinc/84/46/34/553844634.db2.gz RBINUNUFMQNROP-UHFFFAOYSA-N 0 2 362.367 1.735 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000609657890 554408444 /nfs/dbraw/zinc/40/84/44/554408444.db2.gz YFYBLGMWMTYWFQ-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000612413396 554774161 /nfs/dbraw/zinc/77/41/61/554774161.db2.gz IYXVNCFWVBFOCB-UHFFFAOYSA-N 0 2 370.321 1.745 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000481840994 568145606 /nfs/dbraw/zinc/14/56/06/568145606.db2.gz MOYJSIDVQHFBSZ-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639721 568199280 /nfs/dbraw/zinc/19/92/80/568199280.db2.gz QPCXXGQFLNUVEK-LBPRGKRZSA-N 0 2 369.333 1.758 20 5 FDBDLN CCc1nn(Cc2ccccc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC000736707093 598378388 /nfs/dbraw/zinc/37/83/88/598378388.db2.gz PQXXFGQCVRIRJZ-UHFFFAOYSA-N 0 2 355.358 1.505 20 5 FDBDLN CCc1nc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])no1 ZINC000272350285 674434414 /nfs/dbraw/zinc/43/44/14/674434414.db2.gz UXWUVOQIHCOTCN-UHFFFAOYSA-N 0 2 356.316 1.128 20 5 FDBDLN CC(C)OCC[NH+]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000827031204 600982419 /nfs/dbraw/zinc/98/24/19/600982419.db2.gz WWGJECSMOJRVOM-UHFFFAOYSA-N 0 2 365.386 1.476 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000740100752 602498973 /nfs/dbraw/zinc/49/89/73/602498973.db2.gz XCHQVUXGVKYLDC-UHFFFAOYSA-N 0 2 350.375 1.271 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178813 602777395 /nfs/dbraw/zinc/77/73/95/602777395.db2.gz SCTMIELUZPBZMD-WOPDTQHZSA-N 0 2 350.375 1.900 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178813 602777396 /nfs/dbraw/zinc/77/73/96/602777396.db2.gz SCTMIELUZPBZMD-WOPDTQHZSA-N 0 2 350.375 1.900 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739165088 603324334 /nfs/dbraw/zinc/32/43/34/603324334.db2.gz GYGUVXFNNLUTBG-DGCLKSJQSA-N 0 2 373.369 1.899 20 5 FDBDLN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000273264845 674522246 /nfs/dbraw/zinc/52/22/46/674522246.db2.gz UIBMQJYEFHSMPX-GJZGRUSLSA-N 0 2 350.371 1.693 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000830138299 603551751 /nfs/dbraw/zinc/55/17/51/603551751.db2.gz RFBPDNDEZKOOKN-ZDUSSCGKSA-N 0 2 350.375 1.964 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000830138299 603551754 /nfs/dbraw/zinc/55/17/54/603551754.db2.gz RFBPDNDEZKOOKN-ZDUSSCGKSA-N 0 2 350.375 1.964 20 5 FDBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000833545047 604900816 /nfs/dbraw/zinc/90/08/16/604900816.db2.gz CSCJCUYCSUVHRV-RNCFNFMXSA-N 0 2 364.383 1.611 20 5 FDBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000833545047 604900817 /nfs/dbraw/zinc/90/08/17/604900817.db2.gz CSCJCUYCSUVHRV-RNCFNFMXSA-N 0 2 364.383 1.611 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833410159 604918975 /nfs/dbraw/zinc/91/89/75/604918975.db2.gz AUVIXMIYCCPNGL-MNOVXSKESA-N 0 2 353.400 1.814 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833410159 604918977 /nfs/dbraw/zinc/91/89/77/604918977.db2.gz AUVIXMIYCCPNGL-MNOVXSKESA-N 0 2 353.400 1.814 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1 ZINC000822259024 607154546 /nfs/dbraw/zinc/15/45/46/607154546.db2.gz JWYCQYXATNFJFG-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(C3CC3)o2)c([N+](=O)[O-])c1 ZINC000278474160 675143059 /nfs/dbraw/zinc/14/30/59/675143059.db2.gz HZIQHKWDFBLIBO-UHFFFAOYSA-N 0 2 368.327 1.443 20 5 FDBDLN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000285295252 675818498 /nfs/dbraw/zinc/81/84/98/675818498.db2.gz RDOWRYWUSSCVLH-VIFPVBQESA-N 0 2 352.372 1.361 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 ZINC000365575962 677364495 /nfs/dbraw/zinc/36/44/95/677364495.db2.gz PHURCZAIZQWPNY-CYBMUJFWSA-N 0 2 352.372 1.771 20 5 FDBDLN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1O ZINC000370437421 677578137 /nfs/dbraw/zinc/57/81/37/677578137.db2.gz WHAUVCQLTJRLIN-MRXNPFEDSA-N 0 2 367.427 1.238 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000376103945 678225680 /nfs/dbraw/zinc/22/56/80/678225680.db2.gz TZTQOHAXAGOSBA-GFCCVEGCSA-N 0 2 350.371 1.958 20 5 FDBDLN CCOC(=O)CN1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000377130337 678458710 /nfs/dbraw/zinc/45/87/10/678458710.db2.gz RTGQENISEPXDSN-UHFFFAOYSA-N 0 2 351.359 1.011 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)CCOCC2CC2)cc([N+](=O)[O-])c1 ZINC000424063431 680827910 /nfs/dbraw/zinc/82/79/10/680827910.db2.gz MPKGKHWROLXOPZ-UHFFFAOYSA-N 0 2 358.372 1.550 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000473766521 685330096 /nfs/dbraw/zinc/33/00/96/685330096.db2.gz QYYJFHUFBDUJDY-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN Cc1ccncc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000443359786 682286799 /nfs/dbraw/zinc/28/67/99/682286799.db2.gz VASKYUMBWZQPAE-UHFFFAOYSA-N 0 2 351.340 1.870 20 5 FDBDLN Cc1noc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000447868152 682572317 /nfs/dbraw/zinc/57/23/17/682572317.db2.gz HZKJNKJHJIVHQJ-UHFFFAOYSA-N 0 2 366.277 1.784 20 5 FDBDLN C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000525694415 694634456 /nfs/dbraw/zinc/63/44/56/694634456.db2.gz QBJNTXNJMDFSOL-QMMMGPOBSA-N 0 2 355.376 1.710 20 5 FDBDLN Cc1cc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)ncn1 ZINC000375848892 785110176 /nfs/dbraw/zinc/11/01/76/785110176.db2.gz FJVANVOAMYEQOA-UHFFFAOYSA-N 0 2 357.370 1.798 20 5 FDBDLN Cn1nccc1[C@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC(=O)N1C ZINC000490601945 861603152 /nfs/dbraw/zinc/60/31/52/861603152.db2.gz ACZSUMQGXVALTA-ZUZCIYMTSA-N 0 2 359.342 1.192 20 5 FDBDLN CC(C)[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000742291418 926003232 /nfs/dbraw/zinc/00/32/32/926003232.db2.gz VAXHERYXBLMMLR-NSHDSACASA-N 0 2 367.387 1.926 20 5 FDBDLN C[C@H](O)[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC000816747227 942331295 /nfs/dbraw/zinc/33/12/95/942331295.db2.gz DHGHRTHCDNIZJN-ZBEGNZNMSA-N 0 2 374.349 1.523 20 5 FDBDLN Nc1ccc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000844214375 947885454 /nfs/dbraw/zinc/88/54/54/947885454.db2.gz YXNCJDZPSFCLCD-UHFFFAOYSA-N 0 2 357.370 1.987 20 5 FDBDLN O=C(NCC1(O)CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1O ZINC000773226643 959042708 /nfs/dbraw/zinc/04/27/08/959042708.db2.gz YJPXBYLMXKDWIT-UHFFFAOYSA-N 0 2 352.343 1.078 20 5 FDBDLN COc1cc(OC)cc([C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000773352661 961793557 /nfs/dbraw/zinc/79/35/57/961793557.db2.gz ONFNCRRZWPJSOM-INIZCTEOSA-N 0 2 362.338 1.781 20 5 FDBDLN COCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC001191574201 968620448 /nfs/dbraw/zinc/62/04/48/968620448.db2.gz ADTARBHDXLDRAX-UHFFFAOYSA-N 0 2 373.431 1.032 20 5 FDBDLN CSc1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599821508 988521744 /nfs/dbraw/zinc/52/17/44/988521744.db2.gz DDDDPXQZZPQIQA-JTQLQIEISA-N 0 2 350.356 1.466 20 5 FDBDLN CSc1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599821508 988521753 /nfs/dbraw/zinc/52/17/53/988521753.db2.gz DDDDPXQZZPQIQA-JTQLQIEISA-N 0 2 350.356 1.466 20 5 FDBDLN C[C@@](NC(=O)c1cccc2[nH+]ccn21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593176334 994055139 /nfs/dbraw/zinc/05/51/39/994055139.db2.gz TVVURTIPWHWBCH-KRWDZBQOSA-N 0 2 354.322 1.972 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(C)nc2)cc1[N+](=O)[O-] ZINC000777623862 1000870119 /nfs/dbraw/zinc/87/01/19/1000870119.db2.gz NUSYXYUURPSAQE-UHFFFAOYSA-N 0 2 367.343 1.672 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000779651518 1010674096 /nfs/dbraw/zinc/67/40/96/1010674096.db2.gz IDBPMJKCHDZIPW-UONOGXRCSA-N 0 2 358.310 1.210 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000508097539 538926740 /nfs/dbraw/zinc/92/67/40/538926740.db2.gz UPRBZKMCLPGMDD-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000194744012 178223450 /nfs/dbraw/zinc/22/34/50/178223450.db2.gz HHCKDVQCPXLZJS-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN COc1cc(CCNC(=O)c2cccc3[nH]nnc32)c([N+](=O)[O-])cc1OC ZINC000527106810 539698135 /nfs/dbraw/zinc/69/81/35/539698135.db2.gz MTPNBXABPICWRE-UHFFFAOYSA-N 0 2 371.353 1.856 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000269167601 180231594 /nfs/dbraw/zinc/23/15/94/180231594.db2.gz QLINBTLQEJFVEG-SWLSCSKDSA-N 0 2 362.338 1.858 20 5 FDBDLN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274583731 181127193 /nfs/dbraw/zinc/12/71/93/181127193.db2.gz AXALAAKMRVIYAI-NSHDSACASA-N 0 2 371.415 1.234 20 5 FDBDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000275236657 181266061 /nfs/dbraw/zinc/26/60/61/181266061.db2.gz KFTDXYQBLBTMNQ-VIFPVBQESA-N 0 2 361.276 1.441 20 5 FDBDLN COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534069228 540320510 /nfs/dbraw/zinc/32/05/10/540320510.db2.gz SRMKEVUIRLXXSY-UHFFFAOYSA-N 0 2 367.339 1.209 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000535516424 540479423 /nfs/dbraw/zinc/47/94/23/540479423.db2.gz KIMAJMZIXMYSLU-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)nc2)c1C ZINC000536660149 540637196 /nfs/dbraw/zinc/63/71/96/540637196.db2.gz CIVVJUPLOALDRR-UHFFFAOYSA-N 0 2 350.356 1.506 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(OC)cc(OC)n1 ZINC000542711384 541452156 /nfs/dbraw/zinc/45/21/56/541452156.db2.gz GPRFVUCVPCRPSM-UHFFFAOYSA-N 0 2 368.371 1.765 20 5 FDBDLN O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1cc([N+](=O)[O-])ccc1O ZINC000542791635 541471639 /nfs/dbraw/zinc/47/16/39/541471639.db2.gz BVICORHDSOKNAJ-UHFFFAOYSA-N 0 2 362.363 1.560 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000283720351 182259179 /nfs/dbraw/zinc/25/91/79/182259179.db2.gz VBSLZCZLDUAHEO-IAQYHMDHSA-N 0 2 350.371 1.598 20 5 FDBDLN COc1nccc(=NC(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])[nH]1 ZINC000549248885 542857665 /nfs/dbraw/zinc/85/76/65/542857665.db2.gz AFNXXBIFHUXFNA-UHFFFAOYSA-N 0 2 360.374 2.326 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000550867531 543190869 /nfs/dbraw/zinc/19/08/69/543190869.db2.gz MAOWHQVKBSLWSR-UHFFFAOYSA-N 0 2 368.371 1.960 20 5 FDBDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552436875 543466974 /nfs/dbraw/zinc/46/69/74/543466974.db2.gz BQSSSVYEXUNKLU-MRVPVSSYSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413077 260179523 /nfs/dbraw/zinc/17/95/23/260179523.db2.gz PPLMPABWHUWZSK-LLVKDONJSA-N 0 2 361.314 1.882 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cccc1-n1cnnn1 ZINC000016100885 518744143 /nfs/dbraw/zinc/74/41/43/518744143.db2.gz HNXWMFWBHRKLMX-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC000028196795 519225721 /nfs/dbraw/zinc/22/57/21/519225721.db2.gz LPZICRNDTIQIPJ-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CCn1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])cn1 ZINC000032595351 519517015 /nfs/dbraw/zinc/51/70/15/519517015.db2.gz ZRGWBHRUNDOXJU-UHFFFAOYSA-N 0 2 354.344 1.399 20 5 FDBDLN O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066942064 523277172 /nfs/dbraw/zinc/27/71/72/523277172.db2.gz SPAAYJWQHFIPHP-UHFFFAOYSA-N 0 2 364.379 1.894 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c([N+](=O)[O-])c1 ZINC000135805300 524171997 /nfs/dbraw/zinc/17/19/97/524171997.db2.gz YQLLDEJEWVJHEY-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164039709 525471926 /nfs/dbraw/zinc/47/19/26/525471926.db2.gz QHNPOSONVDESST-MRXNPFEDSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164039709 525471930 /nfs/dbraw/zinc/47/19/30/525471930.db2.gz QHNPOSONVDESST-MRXNPFEDSA-N 0 2 371.393 1.931 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000171156232 525873816 /nfs/dbraw/zinc/87/38/16/525873816.db2.gz MYXLKUFUDVFERR-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000272361491 537271130 /nfs/dbraw/zinc/27/11/30/537271130.db2.gz FKBLRVJZNCYLRY-IUODEOHRSA-N 0 2 362.338 1.858 20 5 FDBDLN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273214124 537416437 /nfs/dbraw/zinc/41/64/37/537416437.db2.gz LYHZLKGDYNOFRW-SECBINFHSA-N 0 2 363.399 1.737 20 5 FDBDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000275201838 537541638 /nfs/dbraw/zinc/54/16/38/537541638.db2.gz DCIYYRRNINRUPA-MRVPVSSYSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000276513806 537563562 /nfs/dbraw/zinc/56/35/62/537563562.db2.gz DKTXXVPBKBJBAN-UHFFFAOYSA-N 0 2 372.341 1.371 20 5 FDBDLN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000276513806 537563567 /nfs/dbraw/zinc/56/35/67/537563567.db2.gz DKTXXVPBKBJBAN-UHFFFAOYSA-N 0 2 372.341 1.371 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000324757064 537620534 /nfs/dbraw/zinc/62/05/34/537620534.db2.gz UDZIOIKMFXYLTB-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN Cn1nccc1[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCC(=O)N1C ZINC000285358470 537690847 /nfs/dbraw/zinc/69/08/47/537690847.db2.gz UYZBWCDPKNPQSP-BDJLRTHQSA-N 0 2 373.369 1.126 20 5 FDBDLN O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376046348 537825567 /nfs/dbraw/zinc/82/55/67/537825567.db2.gz UTTWQHACIDJTHK-GFCCVEGCSA-N 0 2 370.321 1.814 20 5 FDBDLN CC(C)CN1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCN2C1=O ZINC000427798449 538238362 /nfs/dbraw/zinc/23/83/62/538238362.db2.gz COJARLNCOXAHBN-ZDUSSCGKSA-N 0 2 362.386 1.518 20 5 FDBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCN1C(=O)c1cnn(C)c1 ZINC000456947392 538462560 /nfs/dbraw/zinc/46/25/60/538462560.db2.gz KHWHWDBUCWUBSY-NSHDSACASA-N 0 2 373.369 1.021 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1C ZINC000468920290 538767040 /nfs/dbraw/zinc/76/70/40/538767040.db2.gz KSKHBRFZMHPANR-UHFFFAOYSA-N 0 2 369.355 1.529 20 5 FDBDLN CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905577 538850913 /nfs/dbraw/zinc/85/09/13/538850913.db2.gz KMZNJJSVOPSRSZ-ZFWWWQNUSA-N 0 2 364.446 1.984 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n2ncnc2n1 ZINC000564560297 546953027 /nfs/dbraw/zinc/95/30/27/546953027.db2.gz AQWCIVIGVBYSOQ-UHFFFAOYSA-N 0 2 362.371 1.759 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000565630546 547423898 /nfs/dbraw/zinc/42/38/98/547423898.db2.gz HASKOUYUXLVVMT-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000565630546 547423900 /nfs/dbraw/zinc/42/39/00/547423900.db2.gz HASKOUYUXLVVMT-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H](OC)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000565659446 547435397 /nfs/dbraw/zinc/43/53/97/547435397.db2.gz UNMDLYLXJIRXNB-AWEZNQCLSA-N 0 2 372.399 1.857 20 5 FDBDLN C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000568517707 548570495 /nfs/dbraw/zinc/57/04/95/548570495.db2.gz YCSIZDFWDFDMKZ-LBPRGKRZSA-N 0 2 357.370 1.966 20 5 FDBDLN CC(C)(C)n1cnc(=NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[nH]1 ZINC000569277166 548859156 /nfs/dbraw/zinc/85/91/56/548859156.db2.gz OYBIGIZLGQJQMO-UHFFFAOYSA-N 0 2 360.374 2.368 20 5 FDBDLN O=C([O-])c1cnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000569609434 548981749 /nfs/dbraw/zinc/98/17/49/548981749.db2.gz ZLVQGHCODLQLJR-OAHLLOKOSA-N 0 2 368.415 1.308 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000571332490 549608817 /nfs/dbraw/zinc/60/88/17/549608817.db2.gz XVAMENFSFAXQKV-NWDGAFQWSA-N 0 2 350.375 1.296 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1NC(C)=O ZINC000580399295 550977448 /nfs/dbraw/zinc/97/74/48/550977448.db2.gz APVUUENQFLVIPI-UHFFFAOYSA-N 0 2 364.383 1.733 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H]2CCCO2)c(C)c([N+](=O)[O-])c1 ZINC000580689993 551008225 /nfs/dbraw/zinc/00/82/25/551008225.db2.gz MYWOWCBSTBBXNQ-NSHDSACASA-N 0 2 358.372 1.611 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000581856808 551141011 /nfs/dbraw/zinc/14/10/11/551141011.db2.gz QQGHATLIWBZGBG-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccnc2N2CCOCC2)c1 ZINC000582241345 551195475 /nfs/dbraw/zinc/19/54/75/551195475.db2.gz NGIKSWBEAGJSBG-UHFFFAOYSA-N 0 2 364.383 1.627 20 5 FDBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1O ZINC000590368213 551776249 /nfs/dbraw/zinc/77/62/49/551776249.db2.gz TWNIIEGPIRJQEN-NXEZZACHSA-N 0 2 374.353 1.794 20 5 FDBDLN CCc1nn(C)c(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000592980173 552051216 /nfs/dbraw/zinc/05/12/16/552051216.db2.gz KJBOGRAAPMXEOP-UHFFFAOYSA-N 0 2 360.374 1.311 20 5 FDBDLN CCOC(=O)Cn1nc(C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000593281250 552082226 /nfs/dbraw/zinc/08/22/26/552082226.db2.gz MDBRARYIQUKFQY-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000594382306 552299522 /nfs/dbraw/zinc/29/95/22/552299522.db2.gz TVPBVAJWNHQEPR-LLVKDONJSA-N 0 2 352.265 1.312 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594696199 552356829 /nfs/dbraw/zinc/35/68/29/552356829.db2.gz LHBDKQWYESVYRW-QMTHXVAHSA-N 0 2 360.388 1.397 20 5 FDBDLN CC(C)(C)OC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCOCC1 ZINC000598528118 552905691 /nfs/dbraw/zinc/90/56/91/552905691.db2.gz ZBUXERHFJJHHIS-UHFFFAOYSA-N 0 2 366.370 1.921 20 5 FDBDLN Cc1nc(C2(NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])CCCCC2)no1 ZINC000599209970 552986790 /nfs/dbraw/zinc/98/67/90/552986790.db2.gz DKXFHGRNSHVKPM-UHFFFAOYSA-N 0 2 370.391 1.158 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(F)(F)c2ccc(F)cc2)n1 ZINC000599351203 553034411 /nfs/dbraw/zinc/03/44/11/553034411.db2.gz ZBQSWQPINBOYAA-UHFFFAOYSA-N 0 2 364.305 1.538 20 5 FDBDLN Cc1cc(C(=O)N2CCC[C@H]2C(=O)N=c2cccn[nH]2)ccc1[N+](=O)[O-] ZINC000609860978 554430918 /nfs/dbraw/zinc/43/09/18/554430918.db2.gz IZTWLHJADASOBZ-AWEZNQCLSA-N 0 2 355.354 1.937 20 5 FDBDLN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000618244045 555598882 /nfs/dbraw/zinc/59/88/82/555598882.db2.gz ANZWLEJXIBGVSE-AWEZNQCLSA-N 0 2 359.338 1.600 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N(C)C)cn1 ZINC000619506901 555791877 /nfs/dbraw/zinc/79/18/77/555791877.db2.gz DWCGQHLHTDCHHH-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN O=C([O-])N1CC[NH+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738645826 602990773 /nfs/dbraw/zinc/99/07/73/602990773.db2.gz XIWRADRDSQTUQL-UHFFFAOYSA-N 0 2 350.331 1.188 20 5 FDBDLN O=C([O-])NC[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832561491 603103086 /nfs/dbraw/zinc/10/30/86/603103086.db2.gz ILIKCPRIRQHLCM-GFCCVEGCSA-N 0 2 359.342 1.653 20 5 FDBDLN CN(C(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000273221616 674517690 /nfs/dbraw/zinc/51/76/90/674517690.db2.gz NDMGIUVCJOIAEL-LBPRGKRZSA-N 0 2 351.384 1.436 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833413787 604975701 /nfs/dbraw/zinc/97/57/01/604975701.db2.gz ZYACIAFWSZVBIZ-IINYFYTJSA-N 0 2 351.359 1.079 20 5 FDBDLN CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC000833655937 605402361 /nfs/dbraw/zinc/40/23/61/605402361.db2.gz HQKPDPUDJKWFQF-GHMZBOCLSA-N 0 2 371.415 1.396 20 5 FDBDLN CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC000833655937 605402367 /nfs/dbraw/zinc/40/23/67/605402367.db2.gz HQKPDPUDJKWFQF-GHMZBOCLSA-N 0 2 371.415 1.396 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cc1[N+](=O)[O-] ZINC000826291700 608101230 /nfs/dbraw/zinc/10/12/30/608101230.db2.gz RLDIBLRORWSVMZ-UHFFFAOYSA-N 0 2 361.343 1.279 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000278426987 675136746 /nfs/dbraw/zinc/13/67/46/675136746.db2.gz SMBIMFSSXNKMQH-SNVBAGLBSA-N 0 2 354.344 1.939 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)N1CCc2sccc2C1 ZINC000364882423 677059770 /nfs/dbraw/zinc/05/97/70/677059770.db2.gz QKQBIFBXUZDNFJ-UHFFFAOYSA-N 0 2 361.379 1.677 20 5 FDBDLN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000372272801 677883896 /nfs/dbraw/zinc/88/38/96/677883896.db2.gz JFVKMJATJMCBAG-RYUDHWBXSA-N 0 2 352.343 1.483 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000431330890 681116291 /nfs/dbraw/zinc/11/62/91/681116291.db2.gz DQQPPHQXQZYHQM-UHFFFAOYSA-N 0 2 351.340 1.870 20 5 FDBDLN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436947144 681745925 /nfs/dbraw/zinc/74/59/25/681745925.db2.gz QZYQOSMGUIIYFC-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442317849 682144848 /nfs/dbraw/zinc/14/48/48/682144848.db2.gz XFYCWZYUFURQJZ-UHFFFAOYSA-N 0 2 371.396 1.304 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1C ZINC000451107979 682820248 /nfs/dbraw/zinc/82/02/48/682820248.db2.gz QNZUEXWFPUNULD-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000463471042 684694468 /nfs/dbraw/zinc/69/44/68/684694468.db2.gz LQWQXHOQCKPLRH-UHFFFAOYSA-N 0 2 351.340 1.870 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000475829575 685651603 /nfs/dbraw/zinc/65/16/03/685651603.db2.gz LWBCPPPXQJAKSD-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN CCc1ncc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cn1 ZINC000476217858 685693291 /nfs/dbraw/zinc/69/32/91/685693291.db2.gz AVXGJPSGTUZDJY-UHFFFAOYSA-N 0 2 356.335 1.896 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000483432972 686507030 /nfs/dbraw/zinc/50/70/30/686507030.db2.gz LABHBLCHSZPLKM-UHFFFAOYSA-N 0 2 366.355 1.198 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000494501184 687548682 /nfs/dbraw/zinc/54/86/82/687548682.db2.gz HNONMWQBILVJES-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000526005402 694641828 /nfs/dbraw/zinc/64/18/28/694641828.db2.gz QVQAELFJWKYGLF-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436967029 816812408 /nfs/dbraw/zinc/81/24/08/816812408.db2.gz WSHVVFWNCXSHER-INIZCTEOSA-N 0 2 369.377 1.920 20 5 FDBDLN O=C(Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1)NC1CCCC1 ZINC000436959985 816818771 /nfs/dbraw/zinc/81/87/71/816818771.db2.gz FYFANTVBTFXREQ-UHFFFAOYSA-N 0 2 373.369 1.808 20 5 FDBDLN COc1nc(C)c(NC(=[NH2+])SCCS(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC001168090113 828663053 /nfs/dbraw/zinc/66/30/53/828663053.db2.gz DGVVRSVTZAETKH-UHFFFAOYSA-N 0 2 350.378 1.274 20 5 FDBDLN C[N@H+](Cc1coc(C2CC2)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964786 831938431 /nfs/dbraw/zinc/93/84/31/831938431.db2.gz ZNCZBBAKIBAFPM-HZPDHXFCSA-N 0 2 362.430 1.888 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000742255946 925991946 /nfs/dbraw/zinc/99/19/46/925991946.db2.gz ZULQCSAOHCQILA-UHFFFAOYSA-N 0 2 374.762 1.419 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000787902074 932481387 /nfs/dbraw/zinc/48/13/87/932481387.db2.gz LMRWRCWNQNARJJ-NSHDSACASA-N 0 2 363.355 1.118 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1C ZINC000753081837 947055323 /nfs/dbraw/zinc/05/53/23/947055323.db2.gz JCJGWJVFLCHUKC-UHFFFAOYSA-N 0 2 357.319 1.660 20 5 FDBDLN Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844210129 947877056 /nfs/dbraw/zinc/87/70/56/947877056.db2.gz ORGZXJUSYOFLLH-XMMPIXPASA-N 0 2 355.416 1.102 20 5 FDBDLN Cc1nn(Cc2ccc(C(=O)OCc3n[nH]c(=O)[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000774908893 964022819 /nfs/dbraw/zinc/02/28/19/964022819.db2.gz QZJLVBGXAMXHPL-UHFFFAOYSA-N 0 2 372.341 1.637 20 5 FDBDLN CCOC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC001178169864 964144349 /nfs/dbraw/zinc/14/43/49/964144349.db2.gz PSOMHQLIGVZSJS-JTQLQIEISA-N 0 2 374.353 1.718 20 5 FDBDLN COc1cnc([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]c1=O ZINC001180059290 965095182 /nfs/dbraw/zinc/09/51/82/965095182.db2.gz FQHOJZXIEVSHGR-GFCCVEGCSA-N 0 2 360.326 1.782 20 5 FDBDLN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000363279945 989058339 /nfs/dbraw/zinc/05/83/39/989058339.db2.gz GTPPHFNUXMVWOS-BJJXKVORSA-N 0 2 359.382 1.458 20 5 FDBDLN COc1ccnc(C[NH2+]Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1F ZINC001599720641 991531866 /nfs/dbraw/zinc/53/18/66/991531866.db2.gz JMRCJVJVDMJTKJ-UHFFFAOYSA-N 0 2 365.317 1.891 20 5 FDBDLN CC(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001591304710 992253313 /nfs/dbraw/zinc/25/33/13/992253313.db2.gz FJLMFLMIYYXEDG-UHFFFAOYSA-N 0 2 353.331 1.305 20 5 FDBDLN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001591304710 992253323 /nfs/dbraw/zinc/25/33/23/992253323.db2.gz FJLMFLMIYYXEDG-UHFFFAOYSA-N 0 2 353.331 1.305 20 5 FDBDLN C[C@@](O)(C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)[O-] ZINC001593396573 995142346 /nfs/dbraw/zinc/14/23/46/995142346.db2.gz QNFOILRZUZSVNH-CYBMUJFWSA-N 0 2 359.176 1.551 20 5 FDBDLN C[C@@](O)(C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)[O-] ZINC001593396573 995142349 /nfs/dbraw/zinc/14/23/49/995142349.db2.gz QNFOILRZUZSVNH-CYBMUJFWSA-N 0 2 359.176 1.551 20 5 FDBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779705 995970326 /nfs/dbraw/zinc/97/03/26/995970326.db2.gz SCSBMOVVHCZLED-OQPBUACISA-N 0 2 358.297 1.711 20 5 FDBDLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779705 995970330 /nfs/dbraw/zinc/97/03/30/995970330.db2.gz SCSBMOVVHCZLED-OQPBUACISA-N 0 2 358.297 1.711 20 5 FDBDLN Cc1n[nH]cc1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000777676574 1001430619 /nfs/dbraw/zinc/43/06/19/1001430619.db2.gz DNQMIQWTBQNFEG-UHFFFAOYSA-N 0 2 367.343 1.384 20 5 FDBDLN CC(C)c1cc(C(=O)N2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC001017444426 1010548071 /nfs/dbraw/zinc/54/80/71/1010548071.db2.gz BPQSNJGRDQGYME-IUODEOHRSA-N 0 2 361.402 1.087 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000195448196 178263516 /nfs/dbraw/zinc/26/35/16/178263516.db2.gz LBUBBDROQNJHCN-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)CO)c2)c([N+](=O)[O-])c1 ZINC000518172851 539398468 /nfs/dbraw/zinc/39/84/68/539398468.db2.gz CLIVFYOLNOCTEV-UHFFFAOYSA-N 0 2 365.367 1.635 20 5 FDBDLN CN1C(=S)N=NC1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000264707311 179174163 /nfs/dbraw/zinc/17/41/63/179174163.db2.gz XXOJKJFDEAOKCM-UHFFFAOYSA-N 0 2 363.399 1.737 20 5 FDBDLN CS(=O)(=O)Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534789958 540412632 /nfs/dbraw/zinc/41/26/32/540412632.db2.gz PZPSVRYEIUWGGO-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])n1 ZINC000535990260 540534205 /nfs/dbraw/zinc/53/42/05/540534205.db2.gz XHAIIDDBIPQULG-UHFFFAOYSA-N 0 2 362.371 1.798 20 5 FDBDLN O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000536352734 540582155 /nfs/dbraw/zinc/58/21/55/540582155.db2.gz BTCZPUIWVZKQAV-UHFFFAOYSA-N 0 2 354.322 1.911 20 5 FDBDLN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537770204 540772882 /nfs/dbraw/zinc/77/28/82/540772882.db2.gz LYKPDPXDBBYPLV-SECBINFHSA-N 0 2 369.337 1.934 20 5 FDBDLN O=C(NCCNC(=O)c1c(F)cccc1F)c1cccc(O)c1[N+](=O)[O-] ZINC000538322251 540842587 /nfs/dbraw/zinc/84/25/87/540842587.db2.gz PMOSZYPUBPEWDT-UHFFFAOYSA-N 0 2 365.292 1.738 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)cnc2N)cc([N+](=O)[O-])c1 ZINC000539112743 540923561 /nfs/dbraw/zinc/92/35/61/540923561.db2.gz YWOCLUGYTHEZFY-UHFFFAOYSA-N 0 2 366.355 1.468 20 5 FDBDLN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000539410272 540956460 /nfs/dbraw/zinc/95/64/60/540956460.db2.gz FCQCVDGFBMHJFM-ZDUSSCGKSA-N 0 2 359.338 1.814 20 5 FDBDLN NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000540039120 541021313 /nfs/dbraw/zinc/02/13/13/541021313.db2.gz AZMFRDHEQJMHHJ-UHFFFAOYSA-N 0 2 356.747 1.543 20 5 FDBDLN CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccnc1 ZINC000539973491 541014831 /nfs/dbraw/zinc/01/48/31/541014831.db2.gz DGLFDSSRNXSAKI-WBMJQRKESA-N 0 2 356.338 1.854 20 5 FDBDLN NC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000540336403 541047510 /nfs/dbraw/zinc/04/75/10/541047510.db2.gz YBJHGSBLDSXJDU-UHFFFAOYSA-N 0 2 361.339 1.371 20 5 FDBDLN COC(=O)[C@@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000543496690 541599348 /nfs/dbraw/zinc/59/93/48/541599348.db2.gz IGBJGRMUBOAOMM-HNNXBMFYSA-N 0 2 358.306 1.881 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000283698793 182253107 /nfs/dbraw/zinc/25/31/07/182253107.db2.gz RYMRAMVBGZQGPU-XHDPSFHLSA-N 0 2 350.371 1.598 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000287420925 183288938 /nfs/dbraw/zinc/28/89/38/183288938.db2.gz UDPPRSPMVROWKL-NWDGAFQWSA-N 0 2 371.415 1.138 20 5 FDBDLN CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000292224359 183880550 /nfs/dbraw/zinc/88/05/50/183880550.db2.gz QTFABOWUAICRDP-GFCCVEGCSA-N 0 2 355.347 1.779 20 5 FDBDLN CCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)o1 ZINC000294954094 184022383 /nfs/dbraw/zinc/02/23/83/184022383.db2.gz BAHNUDBPBHNYKQ-UHFFFAOYSA-N 0 2 371.331 1.866 20 5 FDBDLN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000295505191 184078495 /nfs/dbraw/zinc/07/84/95/184078495.db2.gz CIEOPLLENIXTDI-PJXYFTJBSA-N 0 2 363.370 1.896 20 5 FDBDLN CCOC(=O)Cc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000552374585 543458754 /nfs/dbraw/zinc/45/87/54/543458754.db2.gz GGWZFHGXQZSRDL-UHFFFAOYSA-N 0 2 352.328 1.510 20 5 FDBDLN Cc1c(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cccc1[N+](=O)[O-] ZINC000135673152 173350880 /nfs/dbraw/zinc/35/08/80/173350880.db2.gz WTQWOKZHDYXDCE-LLVKDONJSA-N 0 2 352.372 1.862 20 5 FDBDLN COCCn1nc(C)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1C ZINC000175974273 174040873 /nfs/dbraw/zinc/04/08/73/174040873.db2.gz RCPVDOMHZMVFJF-UHFFFAOYSA-N 0 2 372.378 1.994 20 5 FDBDLN CCN(CC)C(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330568943 259151064 /nfs/dbraw/zinc/15/10/64/259151064.db2.gz HPTFQIKBTCTDSQ-UHFFFAOYSA-N 0 2 350.375 1.520 20 5 FDBDLN CCC1(CC)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCS1(=O)=O ZINC000331171502 259179972 /nfs/dbraw/zinc/17/99/72/259179972.db2.gz OTRZBVCBERPPSS-UHFFFAOYSA-N 0 2 356.400 1.730 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000367523360 260054972 /nfs/dbraw/zinc/05/49/72/260054972.db2.gz BQCUDQQNORAUER-CYBMUJFWSA-N 0 2 365.411 1.480 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000367525494 260055391 /nfs/dbraw/zinc/05/53/91/260055391.db2.gz VPJCSAQSERIOEZ-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COc1cccc(N2C[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2=O)c1 ZINC000367544264 260058900 /nfs/dbraw/zinc/05/89/00/260058900.db2.gz KCUBQMAORHGLSN-NSHDSACASA-N 0 2 371.349 1.844 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000368320001 260166493 /nfs/dbraw/zinc/16/64/93/260166493.db2.gz WEMLQWVRSFMAHB-GFCCVEGCSA-N 0 2 363.370 1.011 20 5 FDBDLN COCc1nc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000368412388 260179139 /nfs/dbraw/zinc/17/91/39/260179139.db2.gz MGYLCIQLXMUCMB-NSHDSACASA-N 0 2 364.314 1.044 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000029835013 519324457 /nfs/dbraw/zinc/32/44/57/519324457.db2.gz ZUOYBYZLKHZKTH-UHFFFAOYSA-N 0 2 365.323 1.839 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c([N+](=O)[O-])c1 ZINC000058497079 522266799 /nfs/dbraw/zinc/26/67/99/522266799.db2.gz HOHBDXAKJCGDIQ-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(N)=O)c1 ZINC000055569265 523825675 /nfs/dbraw/zinc/82/56/75/523825675.db2.gz NAUOGYGHKRZQGC-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c([N+](=O)[O-])c1 ZINC000158576119 524491805 /nfs/dbraw/zinc/49/18/05/524491805.db2.gz IJRZTLPIGRRFAP-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN Cn1c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nnc1C1CCC1 ZINC000125812297 525238640 /nfs/dbraw/zinc/23/86/40/525238640.db2.gz WUCDUDJSXNAVTO-UHFFFAOYSA-N 0 2 369.378 1.608 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)c([N+](=O)[O-])c1 ZINC000102632448 525296308 /nfs/dbraw/zinc/29/63/08/525296308.db2.gz XEDCECFKPSZFSE-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)ccc1[N+](=O)[O-] ZINC000179132172 525535426 /nfs/dbraw/zinc/53/54/26/525535426.db2.gz ZFANKMJBACJVKY-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(C)n1 ZINC000129679503 525681611 /nfs/dbraw/zinc/68/16/11/525681611.db2.gz XLUMASVNFBQTMM-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000262911143 536936058 /nfs/dbraw/zinc/93/60/58/536936058.db2.gz ITCHDEOKWHJBPX-WCQYABFASA-N 0 2 358.354 1.963 20 5 FDBDLN O=C(NCCN1CCc2ccccc2C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191298240 537202323 /nfs/dbraw/zinc/20/23/23/537202323.db2.gz JEZHWAHPCKQGLR-UHFFFAOYSA-N 0 2 355.350 1.729 20 5 FDBDLN CCn1cc([N+](=O)[O-])c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC000191894272 537214591 /nfs/dbraw/zinc/21/45/91/537214591.db2.gz NSFSZTRBFTUXGM-UHFFFAOYSA-N 0 2 371.357 1.438 20 5 FDBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)nn(C)c1C ZINC000276171648 537315403 /nfs/dbraw/zinc/31/54/03/537315403.db2.gz VPSLLXUFIYMZGS-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000292224363 537718781 /nfs/dbraw/zinc/71/87/81/537718781.db2.gz QTFABOWUAICRDP-LBPRGKRZSA-N 0 2 355.347 1.779 20 5 FDBDLN COCCn1ncc2c1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)CCC2 ZINC000369897510 538073145 /nfs/dbraw/zinc/07/31/45/538073145.db2.gz IXRCIZFIYBHJGK-CQSZACIVSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1nc(Cn2nnc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2C)no1 ZINC000426966505 538150581 /nfs/dbraw/zinc/15/05/81/538150581.db2.gz YRZVNJVERAWOKG-UHFFFAOYSA-N 0 2 359.302 1.192 20 5 FDBDLN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1S(C)(=O)=O ZINC000444442782 538166763 /nfs/dbraw/zinc/16/67/63/538166763.db2.gz WRGOLLPLWVJVKJ-UHFFFAOYSA-N 0 2 364.379 1.942 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560497459 545524290 /nfs/dbraw/zinc/52/42/90/545524290.db2.gz RYLKKEKHWKUBBF-UHFFFAOYSA-N 0 2 357.326 1.596 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000446957978 538333618 /nfs/dbraw/zinc/33/36/18/538333618.db2.gz PBTXKPAXEFNRDM-SNVBAGLBSA-N 0 2 354.344 1.939 20 5 FDBDLN CN1C(=O)C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000483441340 538701387 /nfs/dbraw/zinc/70/13/87/538701387.db2.gz QHRAWYUKUQDYSG-WBMJQRKESA-N 0 2 356.338 1.854 20 5 FDBDLN C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565605082 547415948 /nfs/dbraw/zinc/41/59/48/547415948.db2.gz ZPFQPFCLXKGKBE-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565605082 547415951 /nfs/dbraw/zinc/41/59/51/547415951.db2.gz ZPFQPFCLXKGKBE-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000567879524 548305497 /nfs/dbraw/zinc/30/54/97/548305497.db2.gz VFJHKRAJGVVYNE-AAEUAGOBSA-N 0 2 358.354 1.963 20 5 FDBDLN Cn1cc(-c2ccc(=NC(=O)NCc3cccc([N+](=O)[O-])c3)[nH]n2)cn1 ZINC000574230951 550279603 /nfs/dbraw/zinc/27/96/03/550279603.db2.gz RRVDGUGMVVVNCD-UHFFFAOYSA-N 0 2 353.342 2.107 20 5 FDBDLN CCOC(=O)c1cnccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000575794508 550476765 /nfs/dbraw/zinc/47/67/65/550476765.db2.gz GFRFUOHYGAAFBS-UHFFFAOYSA-N 0 2 365.367 1.698 20 5 FDBDLN Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000577272900 550638719 /nfs/dbraw/zinc/63/87/19/550638719.db2.gz XIBKBLDJIJCZEP-UHFFFAOYSA-N 0 2 370.369 1.573 20 5 FDBDLN CCOC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000578769634 550800148 /nfs/dbraw/zinc/80/01/48/550800148.db2.gz YRSDQBUOKXFOQC-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN COc1ccc(-c2n[nH]c(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)c(OC)c1 ZINC000580767352 551016242 /nfs/dbraw/zinc/01/62/42/551016242.db2.gz KMXYEHDKTHQAED-UHFFFAOYSA-N 0 2 359.302 1.373 20 5 FDBDLN CS(=O)(=O)c1cccc(N2CCC[C@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000582998033 551289474 /nfs/dbraw/zinc/28/94/74/551289474.db2.gz OLFJCAQKHZWOTA-VIFPVBQESA-N 0 2 368.371 1.471 20 5 FDBDLN CCn1nc(C)c([N+](=O)[O-])c1N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000583874827 551414512 /nfs/dbraw/zinc/41/45/12/551414512.db2.gz LEZNJHIGNSMOES-UHFFFAOYSA-N 0 2 374.401 1.930 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)[nH+]c2)n1 ZINC000584532214 551513040 /nfs/dbraw/zinc/51/30/40/551513040.db2.gz CSALENDZFGBDIJ-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN CC(C)n1cnc(=NC(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]1 ZINC000593593402 552146339 /nfs/dbraw/zinc/14/63/39/552146339.db2.gz UOKPPZXOGYVYFT-UHFFFAOYSA-N 0 2 372.385 1.897 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594473397 552319014 /nfs/dbraw/zinc/31/90/14/552319014.db2.gz DSFYOCWXBIGVQV-JTQLQIEISA-N 0 2 371.350 1.182 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597853731 552841112 /nfs/dbraw/zinc/84/11/12/552841112.db2.gz VXPJBWFKXIUFJA-LBPRGKRZSA-N 0 2 352.343 1.483 20 5 FDBDLN CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCOC1 ZINC000598169083 552871717 /nfs/dbraw/zinc/87/17/17/552871717.db2.gz SMNZOBDPXXMSJE-INIZCTEOSA-N 0 2 352.343 1.531 20 5 FDBDLN CC1(c2nc(=NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)s[nH]2)CC1 ZINC000600227060 553232679 /nfs/dbraw/zinc/23/26/79/553232679.db2.gz IGANWIANWUQMMQ-UHFFFAOYSA-N 0 2 371.382 1.753 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)n1 ZINC000600666653 553296598 /nfs/dbraw/zinc/29/65/98/553296598.db2.gz ACIXGYHKJRKCNB-UHFFFAOYSA-N 0 2 356.364 1.560 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000608852492 554324709 /nfs/dbraw/zinc/32/47/09/554324709.db2.gz IPHNJCIFNZYMCY-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000610796564 554563147 /nfs/dbraw/zinc/56/31/47/554563147.db2.gz JOMLXDNFBZXGPY-UHFFFAOYSA-N 0 2 358.357 1.424 20 5 FDBDLN CC1CCN(c2ccc(C(=O)N=c3cc(C(N)=O)[nH][nH]3)cc2[N+](=O)[O-])CC1 ZINC000611141547 554609232 /nfs/dbraw/zinc/60/92/32/554609232.db2.gz KEDMRVIKYAGKMW-UHFFFAOYSA-N 0 2 372.385 1.905 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC000619466552 555781957 /nfs/dbraw/zinc/78/19/57/555781957.db2.gz YKEVMTCVIQQXQV-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN Cc1c(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cccc1[N+](=O)[O-] ZINC000481505642 568032002 /nfs/dbraw/zinc/03/20/02/568032002.db2.gz ZVKLWSZLZOOEDE-UHFFFAOYSA-N 0 2 355.310 1.583 20 5 FDBDLN CS(=O)(=O)NCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436632029 568107712 /nfs/dbraw/zinc/10/77/12/568107712.db2.gz BMUFLNBMMGPDBA-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000436637332 568177974 /nfs/dbraw/zinc/17/79/74/568177974.db2.gz XFNFRECDTVKJLH-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436682653 568288823 /nfs/dbraw/zinc/28/88/23/568288823.db2.gz VXUHNANASNHREQ-SNVBAGLBSA-N 0 2 368.292 1.748 20 5 FDBDLN Cc1[nH+]c2n(c1C)CCN(c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])C2 ZINC000738876232 599959581 /nfs/dbraw/zinc/95/95/81/599959581.db2.gz HNELSQOEELCRMU-UHFFFAOYSA-N 0 2 373.369 1.243 20 5 FDBDLN COCCN(CCC(=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000737802525 600619629 /nfs/dbraw/zinc/61/96/29/600619629.db2.gz YZCPUKYZQWAYHD-UHFFFAOYSA-N 0 2 362.342 1.344 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832958443 601258508 /nfs/dbraw/zinc/25/85/08/601258508.db2.gz FOOPMVIYMIXGKA-LBPRGKRZSA-N 0 2 371.415 1.073 20 5 FDBDLN C[C@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000739028839 602451949 /nfs/dbraw/zinc/45/19/49/602451949.db2.gz RJZIQRIZMFZMJF-NSHDSACASA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737565060 602532232 /nfs/dbraw/zinc/53/22/32/602532232.db2.gz ALEAHWVLLBYAJQ-LLVKDONJSA-N 0 2 350.375 1.996 20 5 FDBDLN CN(C(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000737920678 602534048 /nfs/dbraw/zinc/53/40/48/602534048.db2.gz GADRBCFLIKFJSW-UHFFFAOYSA-N 0 2 350.375 1.632 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739873541 602541689 /nfs/dbraw/zinc/54/16/89/602541689.db2.gz ZCWXMNAIBSYVML-NSHDSACASA-N 0 2 366.374 1.474 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000739873541 602541690 /nfs/dbraw/zinc/54/16/90/602541690.db2.gz ZCWXMNAIBSYVML-NSHDSACASA-N 0 2 366.374 1.474 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918210 602761595 /nfs/dbraw/zinc/76/15/95/602761595.db2.gz CVURCARBHQIIOT-CMPLNLGQSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918210 602761599 /nfs/dbraw/zinc/76/15/99/602761599.db2.gz CVURCARBHQIIOT-CMPLNLGQSA-N 0 2 366.374 1.520 20 5 FDBDLN C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739188007 603051519 /nfs/dbraw/zinc/05/15/19/603051519.db2.gz LHOYHVKDWZIWLQ-YPMHNXCESA-N 0 2 360.374 1.789 20 5 FDBDLN C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739188007 603051523 /nfs/dbraw/zinc/05/15/23/603051523.db2.gz LHOYHVKDWZIWLQ-YPMHNXCESA-N 0 2 360.374 1.789 20 5 FDBDLN O=C([O-])c1cc([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000833307067 604630258 /nfs/dbraw/zinc/63/02/58/604630258.db2.gz KITAPUDHVZRNLD-SECBINFHSA-N 0 2 359.766 1.051 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828506320 604632214 /nfs/dbraw/zinc/63/22/14/604632214.db2.gz FVZFCJJRVDRKGY-JTQLQIEISA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828506320 604632219 /nfs/dbraw/zinc/63/22/19/604632219.db2.gz FVZFCJJRVDRKGY-JTQLQIEISA-N 0 2 356.766 1.272 20 5 FDBDLN C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833630200 605402273 /nfs/dbraw/zinc/40/22/73/605402273.db2.gz FUCDLEODWVPWHD-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833630200 605402279 /nfs/dbraw/zinc/40/22/79/605402279.db2.gz FUCDLEODWVPWHD-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN O=C([O-])Nc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cn1 ZINC000834260578 605481795 /nfs/dbraw/zinc/48/17/95/605481795.db2.gz UWHRODFKOQSBGE-UHFFFAOYSA-N 0 2 358.358 1.797 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ncc(-c3nn[nH]n3)s2)ccc1[N+](=O)[O-] ZINC000822211609 607026217 /nfs/dbraw/zinc/02/62/17/607026217.db2.gz HKZMQNOWFTXXGH-UHFFFAOYSA-N 0 2 367.372 1.341 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278357237 675126218 /nfs/dbraw/zinc/12/62/18/675126218.db2.gz JGKTZDWZVGUTCU-NSHDSACASA-N 0 2 370.343 1.639 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000278407088 675133297 /nfs/dbraw/zinc/13/32/97/675133297.db2.gz PDJOTJHUCCRXFU-UHFFFAOYSA-N 0 2 356.360 1.986 20 5 FDBDLN Cn1cc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000120859277 671696670 /nfs/dbraw/zinc/69/66/70/671696670.db2.gz JQTCOJGSTVKEGQ-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000266540334 673142819 /nfs/dbraw/zinc/14/28/19/673142819.db2.gz GOFZOZDAEFBCRN-ZDUSSCGKSA-N 0 2 358.372 1.692 20 5 FDBDLN O=C(NCCn1cc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000314823584 676554454 /nfs/dbraw/zinc/55/44/54/676554454.db2.gz RBVBVJHWIIYRQL-UHFFFAOYSA-N 0 2 355.148 1.689 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cnccc2-n2ccnn2)ccc1[N+](=O)[O-] ZINC000377564299 678561891 /nfs/dbraw/zinc/56/18/91/678561891.db2.gz NBNHZEKCOJQKOB-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000414371125 679342763 /nfs/dbraw/zinc/34/27/63/679342763.db2.gz MJGQLUKOPSIPJZ-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2ccc3nc(C)nn3c2)ccc1[N+](=O)[O-] ZINC000430351151 681072536 /nfs/dbraw/zinc/07/25/36/681072536.db2.gz IVJZYASEKZSQEB-UHFFFAOYSA-N 0 2 363.355 1.755 20 5 FDBDLN CCOC(=O)c1nc(C)n(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000430652580 681089507 /nfs/dbraw/zinc/08/95/07/681089507.db2.gz NOEYMKHNSRAOPR-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)NCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000486002893 686817238 /nfs/dbraw/zinc/81/72/38/686817238.db2.gz KIYULLJXVUIWPM-UHFFFAOYSA-N 0 2 374.268 1.560 20 5 FDBDLN CCc1nsc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000499862820 687998443 /nfs/dbraw/zinc/99/84/43/687998443.db2.gz OOQLHDHVYQTDBR-UHFFFAOYSA-N 0 2 363.399 1.677 20 5 FDBDLN O=C(c1ccco1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000364388099 785044447 /nfs/dbraw/zinc/04/44/47/785044447.db2.gz SYIMQPDJEWUYRP-UHFFFAOYSA-N 0 2 359.338 1.882 20 5 FDBDLN COc1ccc(-c2nc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)n[nH]2)cc1 ZINC000364501942 785077768 /nfs/dbraw/zinc/07/77/68/785077768.db2.gz MFDUXKVJDHIULK-UHFFFAOYSA-N 0 2 370.325 1.419 20 5 FDBDLN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874963 816769905 /nfs/dbraw/zinc/76/99/05/816769905.db2.gz BKJAUDVOFCWECC-AWEZNQCLSA-N 0 2 359.338 1.600 20 5 FDBDLN COc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCCO ZINC000521920974 821392245 /nfs/dbraw/zinc/39/22/45/821392245.db2.gz PHNJTQQEHBWAEA-UHFFFAOYSA-N 0 2 362.338 1.610 20 5 FDBDLN CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000281667510 826152958 /nfs/dbraw/zinc/15/29/58/826152958.db2.gz OSAMHKOIKSUEET-KRWDZBQOSA-N 0 2 366.370 1.732 20 5 FDBDLN NC(=O)[C@H]1CC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)=NN1c1ccccc1 ZINC000760198191 832031906 /nfs/dbraw/zinc/03/19/06/832031906.db2.gz VPEMYSOUYKHTQX-CQSZACIVSA-N 0 2 369.337 1.359 20 5 FDBDLN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000462989731 868287439 /nfs/dbraw/zinc/28/74/39/868287439.db2.gz RJSPDLJOLRDJTP-UHFFFAOYSA-N 0 2 370.365 1.485 20 5 FDBDLN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000498578151 885318952 /nfs/dbraw/zinc/31/89/52/885318952.db2.gz SIADDZNYSFCIIN-KRWDZBQOSA-N 0 2 370.365 1.637 20 5 FDBDLN Cc1cc(Cn2nnc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C)on1 ZINC000499066270 886257116 /nfs/dbraw/zinc/25/71/16/886257116.db2.gz AGCYERNKNOBKEL-UHFFFAOYSA-N 0 2 358.314 1.797 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001195288513 970825788 /nfs/dbraw/zinc/82/57/88/970825788.db2.gz XFIGRERVMOWMSF-GFCCVEGCSA-N 0 2 373.406 1.266 20 5 FDBDLN O=C(OCc1n[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])c(Br)cc1F ZINC000774967043 964254798 /nfs/dbraw/zinc/25/47/98/964254798.db2.gz HSECQVMTEKHKDD-UHFFFAOYSA-N 0 2 361.083 1.677 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1C ZINC000794864584 974466972 /nfs/dbraw/zinc/46/69/72/974466972.db2.gz OYLFWTSPQJOBPW-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COC(=O)N1CCC([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000777200024 983778845 /nfs/dbraw/zinc/77/88/45/983778845.db2.gz ZJJVNDAYQKJQHM-SNVBAGLBSA-N 0 2 351.359 1.897 20 5 FDBDLN CC(C)(CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-])n1cc[nH+]c1 ZINC001590765895 990569464 /nfs/dbraw/zinc/56/94/64/990569464.db2.gz DTGJETPPJUWDOM-UHFFFAOYSA-N 0 2 368.371 1.203 20 5 FDBDLN CN(C(=O)c1cccc2n[nH]cc21)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000954126351 1005985411 /nfs/dbraw/zinc/98/54/11/1005985411.db2.gz YZFZSLBLZMBGTA-CZUORRHYSA-N 0 2 371.397 1.291 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000779651522 1010673676 /nfs/dbraw/zinc/67/36/76/1010673676.db2.gz IDBPMJKCHDZIPW-ZIAGYGMSSA-N 0 2 358.310 1.210 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000779651512 1010674085 /nfs/dbraw/zinc/67/40/85/1010674085.db2.gz IDBPMJKCHDZIPW-KGLIPLIRSA-N 0 2 358.310 1.210 20 5 FDBDLN COC(=O)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000511161829 538958451 /nfs/dbraw/zinc/95/84/51/538958451.db2.gz PHFDYQPEEZKGEN-LBPRGKRZSA-N 0 2 374.349 1.768 20 5 FDBDLN O=C([O-])c1cnc(NCc2ccc[nH+]c2N2CCOCC2)c([N+](=O)[O-])c1 ZINC000515851319 539024605 /nfs/dbraw/zinc/02/46/05/539024605.db2.gz CXFQCFFNLUMKCI-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN O=C(NCc1cccnc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000274693774 181146932 /nfs/dbraw/zinc/14/69/32/181146932.db2.gz MUORNHPGMRCHBO-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)NOCCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000275099699 181238397 /nfs/dbraw/zinc/23/83/97/181238397.db2.gz SYZLSMGUEPYLSJ-UHFFFAOYSA-N 0 2 367.305 1.786 20 5 FDBDLN COC(=O)c1cncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000538112864 540811436 /nfs/dbraw/zinc/81/14/36/540811436.db2.gz UVINJZIGCJIJBK-UHFFFAOYSA-N 0 2 368.309 1.814 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cn1 ZINC000541083381 541148591 /nfs/dbraw/zinc/14/85/91/541148591.db2.gz KZNOTYUDVBPDLU-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cccc1C(N)=O ZINC000541126275 541154550 /nfs/dbraw/zinc/15/45/50/541154550.db2.gz IALMKDLFXBQJOF-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN Cc1c(Br)c(NCCCc2n[nH]c(=O)[nH]2)ncc1[N+](=O)[O-] ZINC000541576976 541231688 /nfs/dbraw/zinc/23/16/88/541231688.db2.gz YDIYGNOEVIESDG-UHFFFAOYSA-N 0 2 357.168 1.929 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000543638619 541625870 /nfs/dbraw/zinc/62/58/70/541625870.db2.gz ZRGZXYFRDZINGY-UHFFFAOYSA-N 0 2 374.762 1.856 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000552011724 543404319 /nfs/dbraw/zinc/40/43/19/543404319.db2.gz TYFRLUZLUUXABO-LLVKDONJSA-N 0 2 360.370 1.085 20 5 FDBDLN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000553228572 543591703 /nfs/dbraw/zinc/59/17/03/543591703.db2.gz SMHOLJNNDBFBTQ-GFCCVEGCSA-N 0 2 363.292 1.293 20 5 FDBDLN COc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000553257734 543596218 /nfs/dbraw/zinc/59/62/18/543596218.db2.gz NDWHSHCMLFCPOM-UHFFFAOYSA-N 0 2 366.351 1.965 20 5 FDBDLN CS(=O)(=O)c1cccc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000557686423 544330688 /nfs/dbraw/zinc/33/06/88/544330688.db2.gz PWSLDIVUERUPOE-SECBINFHSA-N 0 2 367.387 1.206 20 5 FDBDLN COc1ccnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000299064118 258969056 /nfs/dbraw/zinc/96/90/56/258969056.db2.gz XKAUBZVTDCNMOR-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN Cc1cc(C)n(C[C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)n1 ZINC000331746283 259217315 /nfs/dbraw/zinc/21/73/15/259217315.db2.gz XPNLMSJRQRFHAC-CQSZACIVSA-N 0 2 360.370 1.655 20 5 FDBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000364984406 259802215 /nfs/dbraw/zinc/80/22/15/259802215.db2.gz TUTCVHGLUBEERC-CYBMUJFWSA-N 0 2 362.363 1.901 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)c1ccc[nH]1 ZINC000367143800 260000343 /nfs/dbraw/zinc/00/03/43/260000343.db2.gz MAHMNOBXUKJUHR-UHFFFAOYSA-N 0 2 358.354 1.663 20 5 FDBDLN O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000367980376 260118316 /nfs/dbraw/zinc/11/83/16/260118316.db2.gz DWUHLKIRMHQAGZ-INIZCTEOSA-N 0 2 367.427 1.238 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)[C@@H]1c1ccccc1F ZINC000375374825 261325139 /nfs/dbraw/zinc/32/51/39/261325139.db2.gz BPWRFCZNZMLHFU-HNNXBMFYSA-N 0 2 359.313 1.753 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)[C@H]1c1ccccc1F ZINC000375374830 261325763 /nfs/dbraw/zinc/32/57/63/261325763.db2.gz BPWRFCZNZMLHFU-OAHLLOKOSA-N 0 2 359.313 1.753 20 5 FDBDLN CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000378420481 262021845 /nfs/dbraw/zinc/02/18/45/262021845.db2.gz JMTSMSFQMQBVBB-ZDUSSCGKSA-N 0 2 351.359 1.512 20 5 FDBDLN O=C(NCc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000030001769 519341053 /nfs/dbraw/zinc/34/10/53/519341053.db2.gz VETONVPHYUJTHI-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN CNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1C ZINC000032143693 519485340 /nfs/dbraw/zinc/48/53/40/519485340.db2.gz VOYRPWUAHJEIMY-UHFFFAOYSA-N 0 2 368.371 1.102 20 5 FDBDLN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000063886570 522670759 /nfs/dbraw/zinc/67/07/59/522670759.db2.gz LHWLRTWQQZDFNY-UHFFFAOYSA-N 0 2 370.408 1.940 20 5 FDBDLN COCCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000116160818 525108042 /nfs/dbraw/zinc/10/80/42/525108042.db2.gz AKBDACNTIWWCKH-UHFFFAOYSA-N 0 2 354.388 1.937 20 5 FDBDLN O=C(Cn1cc(Br)ccc1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124961473 525115895 /nfs/dbraw/zinc/11/58/95/525115895.db2.gz MHAMPQPSFSBDHT-UHFFFAOYSA-N 0 2 368.143 1.863 20 5 FDBDLN Cc1nc(C)c(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c(=O)[nH]1 ZINC000103201661 525338070 /nfs/dbraw/zinc/33/80/70/525338070.db2.gz OFNMXUMYFWPTJS-UHFFFAOYSA-N 0 2 369.341 1.261 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1 ZINC000178316522 525410148 /nfs/dbraw/zinc/41/01/48/525410148.db2.gz QQGDLVKNOJACQZ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1C ZINC000163776391 525449805 /nfs/dbraw/zinc/44/98/05/525449805.db2.gz ZLDJVWOVGBANAI-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1cccc2c(=O)n(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cnc12 ZINC000166162640 525573807 /nfs/dbraw/zinc/57/38/07/525573807.db2.gz ZGIQINJRIKILAV-UHFFFAOYSA-N 0 2 354.322 1.957 20 5 FDBDLN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129575726 525668950 /nfs/dbraw/zinc/66/89/50/525668950.db2.gz WIFMOKLJGIMXMN-CQSZACIVSA-N 0 2 357.366 1.730 20 5 FDBDLN CC(C)(C)n1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1 ZINC000192279265 537222723 /nfs/dbraw/zinc/22/27/23/537222723.db2.gz OTNIPDKLVWRYGG-UHFFFAOYSA-N 0 2 356.346 1.979 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1noc(C3CC3)n1)OCCO2 ZINC000273529440 537459342 /nfs/dbraw/zinc/45/93/42/537459342.db2.gz CLXMGUOWYFJECL-UHFFFAOYSA-N 0 2 368.327 1.427 20 5 FDBDLN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294460998 537699466 /nfs/dbraw/zinc/69/94/66/537699466.db2.gz HLLZTHCEFYNUIX-GFCCVEGCSA-N 0 2 353.400 1.684 20 5 FDBDLN Cc1c([C@@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC(=O)N2C)cnn1C ZINC000372889212 538056632 /nfs/dbraw/zinc/05/66/32/538056632.db2.gz GNMZWMATEXQOCE-BZNIZROVSA-N 0 2 373.369 1.500 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)NCCN=c2[nH]nc(C3CC3)s2)c1 ZINC000432357996 538137743 /nfs/dbraw/zinc/13/77/43/538137743.db2.gz NVJJIBVOECQPCY-UHFFFAOYSA-N 0 2 369.428 1.714 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCCN=c2[nH]nc(C3CC3)s2)cc1 ZINC000432368954 538140907 /nfs/dbraw/zinc/14/09/07/538140907.db2.gz SUYSLSMYYQBWFH-UHFFFAOYSA-N 0 2 369.428 1.714 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000476428145 538867594 /nfs/dbraw/zinc/86/75/94/538867594.db2.gz KAAPLBMGFYWWDL-UHFFFAOYSA-N 0 2 350.356 1.479 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000571332494 549608998 /nfs/dbraw/zinc/60/89/98/549608998.db2.gz XVAMENFSFAXQKV-VXGBXAGGSA-N 0 2 350.375 1.296 20 5 FDBDLN O=C([O-])c1ccc(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)[nH+]c1 ZINC000574281215 550288591 /nfs/dbraw/zinc/28/85/91/550288591.db2.gz RDGNPDWSGPOIGR-UHFFFAOYSA-N 0 2 369.381 1.983 20 5 FDBDLN C[C@H]1CN(c2ccc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000582788091 551267429 /nfs/dbraw/zinc/26/74/29/551267429.db2.gz BZVRKKXGLPMGNN-NSHDSACASA-N 0 2 373.369 1.920 20 5 FDBDLN O=C(Nc1nc(-c2ccc3ccccc3n2)n[nH]1)c1n[nH]cc1[N+](=O)[O-] ZINC000590556352 551791867 /nfs/dbraw/zinc/79/18/67/551791867.db2.gz DFLNHSQUGWQPAI-UHFFFAOYSA-N 0 2 350.298 1.904 20 5 FDBDLN C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000592980661 552051198 /nfs/dbraw/zinc/05/11/98/552051198.db2.gz USASBNPFABQNEX-HIFRSBDPSA-N 0 2 363.414 1.974 20 5 FDBDLN COCc1nccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000594730937 552366086 /nfs/dbraw/zinc/36/60/86/552366086.db2.gz YRUGSWZJUGQTOU-UHFFFAOYSA-N 0 2 352.372 1.949 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnc(COC)n1 ZINC000594730952 552366280 /nfs/dbraw/zinc/36/62/80/552366280.db2.gz ZPCLTBWGAUCCIP-UHFFFAOYSA-N 0 2 352.372 1.894 20 5 FDBDLN CO[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(=O)[O-])C1 ZINC000595279926 552511262 /nfs/dbraw/zinc/51/12/62/552511262.db2.gz HGBWEHJVTBYTMB-OLZOCXBDSA-N 0 2 362.342 1.709 20 5 FDBDLN CO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H](C(=O)[O-])C1 ZINC000595279926 552511264 /nfs/dbraw/zinc/51/12/64/552511264.db2.gz HGBWEHJVTBYTMB-OLZOCXBDSA-N 0 2 362.342 1.709 20 5 FDBDLN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597851855 552840885 /nfs/dbraw/zinc/84/08/85/552840885.db2.gz VUDPLPQOJCHFJH-MRXNPFEDSA-N 0 2 364.398 1.988 20 5 FDBDLN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597861960 552842057 /nfs/dbraw/zinc/84/20/57/552842057.db2.gz FCISHSZJTMYVLI-MRXNPFEDSA-N 0 2 364.398 1.988 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCc2nnc(N3CCCC3)cc2C1 ZINC000598581683 552911090 /nfs/dbraw/zinc/91/10/90/552911090.db2.gz HBLLWSMOQNZLFG-UHFFFAOYSA-N 0 2 369.381 1.889 20 5 FDBDLN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600452070 553270435 /nfs/dbraw/zinc/27/04/35/553270435.db2.gz VOAMFHSIQUMMQA-PWSUYJOCSA-N 0 2 352.343 1.389 20 5 FDBDLN CNc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000604107487 553842411 /nfs/dbraw/zinc/84/24/11/553842411.db2.gz CLEYXKYBGDGFCS-UHFFFAOYSA-N 0 2 372.388 1.112 20 5 FDBDLN C[C@H]1CCCN(c2ccc(C(=O)N=c3cc(C(N)=O)[nH][nH]3)cc2[N+](=O)[O-])C1 ZINC000611141439 554609169 /nfs/dbraw/zinc/60/91/69/554609169.db2.gz BOOAKDQYQPNIEK-JTQLQIEISA-N 0 2 372.385 1.905 20 5 FDBDLN NC(=O)c1cc(=NC(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)[nH][nH]1 ZINC000611141506 554609255 /nfs/dbraw/zinc/60/92/55/554609255.db2.gz IDFVKYSAMYPODA-UHFFFAOYSA-N 0 2 358.339 1.793 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH]n1 ZINC000616244680 555283906 /nfs/dbraw/zinc/28/39/06/555283906.db2.gz MKZPNLJEVYGRLS-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n(C)n1 ZINC000619507271 555792389 /nfs/dbraw/zinc/79/23/89/555792389.db2.gz XYSRDRWCLQSJQN-UHFFFAOYSA-N 0 2 370.387 1.327 20 5 FDBDLN COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000619680326 555821127 /nfs/dbraw/zinc/82/11/27/555821127.db2.gz CZNSTJOQVICVMW-CQSZACIVSA-N 0 2 368.342 1.927 20 5 FDBDLN O=C(NCCCN1C(=O)COc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436669338 568262848 /nfs/dbraw/zinc/26/28/48/568262848.db2.gz KBNNXKDCVZCYKY-UHFFFAOYSA-N 0 2 371.349 1.846 20 5 FDBDLN C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000736653166 599775331 /nfs/dbraw/zinc/77/53/31/599775331.db2.gz TZVQNAPVPZLCBV-GHMZBOCLSA-N 0 2 351.359 1.132 20 5 FDBDLN O=C(C[NH2+][C@H](C(=O)[O-])c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739306751 599785165 /nfs/dbraw/zinc/78/51/65/599785165.db2.gz IUBNQRRFDHMXNR-INIZCTEOSA-N 0 2 373.321 1.678 20 5 FDBDLN O=C([O-])c1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000833296225 600900878 /nfs/dbraw/zinc/90/08/78/600900878.db2.gz YJPODMXOXNXAIT-CQSZACIVSA-N 0 2 363.370 1.230 20 5 FDBDLN C[C@@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000739028836 602451763 /nfs/dbraw/zinc/45/17/63/602451763.db2.gz RJZIQRIZMFZMJF-LLVKDONJSA-N 0 2 350.375 1.901 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739918114 602538961 /nfs/dbraw/zinc/53/89/61/602538961.db2.gz BPBIBSNSLAKXCH-LLVKDONJSA-N 0 2 366.374 1.474 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739918114 602538962 /nfs/dbraw/zinc/53/89/62/602538962.db2.gz BPBIBSNSLAKXCH-LLVKDONJSA-N 0 2 366.374 1.474 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCN1C(=O)[O-] ZINC000739169809 602933108 /nfs/dbraw/zinc/93/31/08/602933108.db2.gz SIXWLYZHYOKQTK-LLVKDONJSA-N 0 2 359.342 1.605 20 5 FDBDLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)[O-] ZINC000825926569 603721459 /nfs/dbraw/zinc/72/14/59/603721459.db2.gz WVQVYNQGHBQMQZ-BXUZGUMPSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CNC(=O)[O-] ZINC000825926569 603721461 /nfs/dbraw/zinc/72/14/61/603721461.db2.gz WVQVYNQGHBQMQZ-BXUZGUMPSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833413785 604975538 /nfs/dbraw/zinc/97/55/38/604975538.db2.gz ZYACIAFWSZVBIZ-HZMBPMFUSA-N 0 2 351.359 1.079 20 5 FDBDLN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000824755269 608014826 /nfs/dbraw/zinc/01/48/26/608014826.db2.gz KTBYWCTVYIDRGC-SECBINFHSA-N 0 2 370.325 1.887 20 5 FDBDLN Cc1nnc(CCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[nH]1 ZINC000826325733 608381263 /nfs/dbraw/zinc/38/12/63/608381263.db2.gz JUQCTPQOIMEJNT-UHFFFAOYSA-N 0 2 366.345 1.404 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000014371533 670625014 /nfs/dbraw/zinc/62/50/14/670625014.db2.gz LZPNQOMSVXUSJJ-UHFFFAOYSA-N 0 2 359.367 1.747 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278357232 675125998 /nfs/dbraw/zinc/12/59/98/675125998.db2.gz JGKTZDWZVGUTCU-LLVKDONJSA-N 0 2 370.343 1.639 20 5 FDBDLN COCCc1nsc(NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000426538998 680960016 /nfs/dbraw/zinc/96/00/16/680960016.db2.gz KXSIITHZGXJGGC-UHFFFAOYSA-N 0 2 368.415 1.729 20 5 FDBDLN CS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436499031 681699908 /nfs/dbraw/zinc/69/99/08/681699908.db2.gz UUGHYRZEFLFJIT-UHFFFAOYSA-N 0 2 368.342 1.773 20 5 FDBDLN CN(C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)S(C)(=O)=O ZINC000436815078 681732297 /nfs/dbraw/zinc/73/22/97/681732297.db2.gz MTZSICAHNSMRGI-LLVKDONJSA-N 0 2 371.415 1.044 20 5 FDBDLN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCOC1 ZINC000436917023 681743378 /nfs/dbraw/zinc/74/33/78/681743378.db2.gz CHURHBFZWOIQIJ-IINYFYTJSA-N 0 2 352.343 1.389 20 5 FDBDLN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436913072 681743522 /nfs/dbraw/zinc/74/35/22/681743522.db2.gz YPBUSYSUTUGBNV-UHFFFAOYSA-N 0 2 365.367 1.139 20 5 FDBDLN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442797267 682181938 /nfs/dbraw/zinc/18/19/38/682181938.db2.gz WMAAQPHJSZBVNL-SECBINFHSA-N 0 2 353.331 1.447 20 5 FDBDLN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442797267 682181940 /nfs/dbraw/zinc/18/19/40/682181940.db2.gz WMAAQPHJSZBVNL-SECBINFHSA-N 0 2 353.331 1.447 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(-c3ccoc3C)o2)c([N+](=O)[O-])n1 ZINC000444061362 682376107 /nfs/dbraw/zinc/37/61/07/682376107.db2.gz WVUPJRGUQSYJPR-UHFFFAOYSA-N 0 2 368.331 1.563 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450004322 682726946 /nfs/dbraw/zinc/72/69/46/682726946.db2.gz KPPSMRMDQLRHJC-UHFFFAOYSA-N 0 2 359.264 1.800 20 5 FDBDLN CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000469634595 684979461 /nfs/dbraw/zinc/97/94/61/684979461.db2.gz SYEUHERKAGILFB-UHFFFAOYSA-N 0 2 365.367 1.763 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cnc3n[nH]c(C)c3c2)ccc1[N+](=O)[O-] ZINC000476311474 685705607 /nfs/dbraw/zinc/70/56/07/685705607.db2.gz AMHQRXLORGJCFG-UHFFFAOYSA-N 0 2 363.355 1.984 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)C1CCOCC1 ZINC000483435831 686507086 /nfs/dbraw/zinc/50/70/86/686507086.db2.gz RWDRKMDULCXFMZ-VIFPVBQESA-N 0 2 358.372 1.221 20 5 FDBDLN CC(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nncn1C ZINC000510413918 689374734 /nfs/dbraw/zinc/37/47/34/689374734.db2.gz OCGPKVCLKYPUDE-LLVKDONJSA-N 0 2 357.367 1.538 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000377485921 791932835 /nfs/dbraw/zinc/93/28/35/791932835.db2.gz SQLSIQRROGSVRH-NSHDSACASA-N 0 2 371.357 1.848 20 5 FDBDLN Cn1cc(-c2[nH]ncc2C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000435819782 816189758 /nfs/dbraw/zinc/18/97/58/816189758.db2.gz SJPKHEQSKFDXST-UHFFFAOYSA-N 0 2 355.358 1.560 20 5 FDBDLN CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436732877 816696563 /nfs/dbraw/zinc/69/65/63/816696563.db2.gz SJMJCFXPEBFNPO-UHFFFAOYSA-N 0 2 372.337 1.110 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436871512 816769250 /nfs/dbraw/zinc/76/92/50/816769250.db2.gz NSHYJAKVFJMQEE-SNVBAGLBSA-N 0 2 368.292 1.748 20 5 FDBDLN CC(C)c1cnc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985430547 827808647 /nfs/dbraw/zinc/80/86/47/827808647.db2.gz CDVMDYIRRLARGW-ZIAGYGMSSA-N 0 2 350.419 1.886 20 5 FDBDLN O=C(Cn1c(=O)[nH]c2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000497787606 883697081 /nfs/dbraw/zinc/69/70/81/883697081.db2.gz ACQKJAXTPATKFE-UHFFFAOYSA-N 0 2 356.294 1.355 20 5 FDBDLN Cn1nncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000788204952 932599899 /nfs/dbraw/zinc/59/98/99/932599899.db2.gz DQLXIJASWIMJTE-UHFFFAOYSA-N 0 2 362.165 1.287 20 5 FDBDLN CCn1cc(S(=O)(=O)NCC(F)(F)Br)c([N+](=O)[O-])n1 ZINC000808572557 940557142 /nfs/dbraw/zinc/55/71/42/940557142.db2.gz GZCXBHVCJFRJKB-UHFFFAOYSA-N 0 2 363.140 1.077 20 5 FDBDLN CN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810155 940900024 /nfs/dbraw/zinc/90/00/24/940900024.db2.gz MLWLCSLJDIRHHR-QMMMGPOBSA-N 0 2 351.787 1.760 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000810125136 940957572 /nfs/dbraw/zinc/95/75/72/940957572.db2.gz PNQFHYMVNBNURA-SECBINFHSA-N 0 2 369.296 1.841 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810125136 940957575 /nfs/dbraw/zinc/95/75/75/940957575.db2.gz PNQFHYMVNBNURA-SECBINFHSA-N 0 2 369.296 1.841 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845445483 949225478 /nfs/dbraw/zinc/22/54/78/949225478.db2.gz BGFCLODEIVCTPT-LLVKDONJSA-N 0 2 352.372 1.556 20 5 FDBDLN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000854877495 970011553 /nfs/dbraw/zinc/01/15/53/970011553.db2.gz OKKDTGBFERYGGG-DGCLKSJQSA-N 0 2 367.358 1.010 20 5 FDBDLN CC(C)(C)n1nnc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000848477282 976804928 /nfs/dbraw/zinc/80/49/28/976804928.db2.gz SMKWXIONQHKUGJ-UHFFFAOYSA-N 0 2 374.810 1.468 20 5 FDBDLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001598515784 992615186 /nfs/dbraw/zinc/61/51/86/992615186.db2.gz SWXJWLYLAHATSA-INIZCTEOSA-N 0 2 370.365 1.925 20 5 FDBDLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001598515784 992615189 /nfs/dbraw/zinc/61/51/89/992615189.db2.gz SWXJWLYLAHATSA-INIZCTEOSA-N 0 2 370.365 1.925 20 5 FDBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879764585 995266588 /nfs/dbraw/zinc/26/65/88/995266588.db2.gz XBPLNZOFNZQCNK-JSGCOSHPSA-N 0 2 361.320 1.771 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000777609409 996339631 /nfs/dbraw/zinc/33/96/31/996339631.db2.gz ARMGRNMZBWLMGR-UHFFFAOYSA-N 0 2 355.332 1.307 20 5 FDBDLN Cn1nccc1[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CCC(=O)N1C ZINC000285096867 999902299 /nfs/dbraw/zinc/90/22/99/999902299.db2.gz DTVYHWHAKLOMTM-MLGOLLRUSA-N 0 2 373.369 1.126 20 5 FDBDLN CC(C)c1cc(C(=O)N2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC000956366767 1008049392 /nfs/dbraw/zinc/04/93/92/1008049392.db2.gz LMWOEQIFFUESIP-BXUZGUMPSA-N 0 2 363.418 1.309 20 5 FDBDLN C[N@H+](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000795805612 1008248321 /nfs/dbraw/zinc/24/83/21/1008248321.db2.gz PYLCZBBFDYITHN-UHFFFAOYSA-N 0 2 351.787 1.760 20 5 FDBDLN C[N@@H+](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000795805612 1008248325 /nfs/dbraw/zinc/24/83/25/1008248325.db2.gz PYLCZBBFDYITHN-UHFFFAOYSA-N 0 2 351.787 1.760 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191795185 178069974 /nfs/dbraw/zinc/06/99/74/178069974.db2.gz XKDSEQNIDDBVNM-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CCn1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cn1 ZINC000263973534 179007990 /nfs/dbraw/zinc/00/79/90/179007990.db2.gz BKXAPCOGSTXVJH-UHFFFAOYSA-N 0 2 354.344 1.383 20 5 FDBDLN O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272394286 180730458 /nfs/dbraw/zinc/73/04/58/180730458.db2.gz LTVGYWYJLUWJSL-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FDBDLN COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274249537 181056148 /nfs/dbraw/zinc/05/61/48/181056148.db2.gz YYBKUUUAMKAVMN-ZETCQYMHSA-N 0 2 374.268 1.506 20 5 FDBDLN CCCc1[nH]nc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1[N+](=O)[O-] ZINC000535231694 540459935 /nfs/dbraw/zinc/45/99/35/540459935.db2.gz SUUJAGBALJTIDN-UHFFFAOYSA-N 0 2 359.371 1.858 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000538753391 540887915 /nfs/dbraw/zinc/88/79/15/540887915.db2.gz LMPLEEHUEYZWKO-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000539933581 541009855 /nfs/dbraw/zinc/00/98/55/541009855.db2.gz MKFLHTBKVFWXTC-SNVBAGLBSA-N 0 2 365.773 1.930 20 5 FDBDLN O=C(NCCN1C(=O)c2ccccc2C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000540512680 541068983 /nfs/dbraw/zinc/06/89/83/541068983.db2.gz NKIIBGMMOYMTBD-UHFFFAOYSA-N 0 2 355.306 1.326 20 5 FDBDLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000541586054 541233210 /nfs/dbraw/zinc/23/32/10/541233210.db2.gz LMPIUQNRQCYBNI-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN CCS(=O)(=O)N1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000541743874 541257728 /nfs/dbraw/zinc/25/77/28/541257728.db2.gz SSCUHWFCWQXPRS-UHFFFAOYSA-N 0 2 371.415 1.092 20 5 FDBDLN NC(=O)c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC000543809925 541665620 /nfs/dbraw/zinc/66/56/20/541665620.db2.gz RPNWIURDEGNBLI-UHFFFAOYSA-N 0 2 353.298 1.126 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000283720350 182259185 /nfs/dbraw/zinc/25/91/85/182259185.db2.gz VBSLZCZLDUAHEO-ABAIWWIYSA-N 0 2 350.371 1.598 20 5 FDBDLN CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000547863418 542468247 /nfs/dbraw/zinc/46/82/47/542468247.db2.gz WMOKTNFJDPQEPM-UHFFFAOYSA-N 0 2 354.344 1.131 20 5 FDBDLN O=C(Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)NCCO ZINC000552327178 543450957 /nfs/dbraw/zinc/45/09/57/543450957.db2.gz OYQYQGZFHJOKNW-UHFFFAOYSA-N 0 2 359.338 1.204 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1-n1cnnn1 ZINC000181082523 174206317 /nfs/dbraw/zinc/20/63/17/174206317.db2.gz VEISXMUXDDVORH-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN O=C1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CN1CC[NH+]1CCOCC1 ZINC000178903794 258339138 /nfs/dbraw/zinc/33/91/38/258339138.db2.gz PDNUCXWYYSJZPF-NJELEJDNSA-N 0 2 374.441 1.131 20 5 FDBDLN Cc1nc(CN2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)oc1C ZINC000330613780 259153504 /nfs/dbraw/zinc/15/35/04/259153504.db2.gz SLZLBDCZOJDBPV-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN COc1ccnc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000363592650 259625080 /nfs/dbraw/zinc/62/50/80/259625080.db2.gz PVBWKMCBGMEERZ-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000367604078 260067989 /nfs/dbraw/zinc/06/79/89/260067989.db2.gz RCCJPWHKSZZNKE-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368410822 260179357 /nfs/dbraw/zinc/17/93/57/260179357.db2.gz DKRLRIYHDVDLOE-NSHDSACASA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000368914484 260260353 /nfs/dbraw/zinc/26/03/53/260260353.db2.gz XLPARUXUMPTTCM-OAHLLOKOSA-N 0 2 363.370 1.154 20 5 FDBDLN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000374968843 261237171 /nfs/dbraw/zinc/23/71/71/261237171.db2.gz DCENSODLOKVAJK-CQSZACIVSA-N 0 2 356.338 1.621 20 5 FDBDLN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000378475448 262033459 /nfs/dbraw/zinc/03/34/59/262033459.db2.gz PXNJOBFUVWWDPI-VIDBKGRSSA-N 0 2 374.353 1.085 20 5 FDBDLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053345800 523405790 /nfs/dbraw/zinc/40/57/90/523405790.db2.gz QUMXBZFRAGHZEO-UHFFFAOYSA-N 0 2 353.294 1.135 20 5 FDBDLN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000124727400 525060724 /nfs/dbraw/zinc/06/07/24/525060724.db2.gz DIWVCSQFLZDFIU-HNNXBMFYSA-N 0 2 360.370 1.620 20 5 FDBDLN COCCCn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000116160405 525108242 /nfs/dbraw/zinc/10/82/42/525108242.db2.gz JFXGPQAYLOJGMU-UHFFFAOYSA-N 0 2 354.388 1.937 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncnc1-n1cccn1 ZINC000163315474 525389097 /nfs/dbraw/zinc/38/90/97/525389097.db2.gz JREWNRMYNRBWLI-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000128202737 525513119 /nfs/dbraw/zinc/51/31/19/525513119.db2.gz JUXWRUHJZAZLMZ-UHFFFAOYSA-N 0 2 368.353 1.548 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1[N+](=O)[O-] ZINC000119030329 525613573 /nfs/dbraw/zinc/61/35/73/525613573.db2.gz HFDZNHNXUOSUID-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)cc1[N+](=O)[O-] ZINC000119227576 525675537 /nfs/dbraw/zinc/67/55/37/525675537.db2.gz XZNZAKODMPTNTO-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1 ZINC000129691910 525681641 /nfs/dbraw/zinc/68/16/41/525681641.db2.gz AJUPSNCGSXKKLJ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000171155978 525874891 /nfs/dbraw/zinc/87/48/91/525874891.db2.gz LGSJVWBZVQCYIK-LLVKDONJSA-N 0 2 352.372 1.629 20 5 FDBDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000185323589 536205345 /nfs/dbraw/zinc/20/53/45/536205345.db2.gz MIWUNLSUIVDKLK-JTQLQIEISA-N 0 2 361.276 1.584 20 5 FDBDLN Cn1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)c1=O ZINC000185949808 536222276 /nfs/dbraw/zinc/22/22/76/536222276.db2.gz SUVCACYRCPAHRA-UHFFFAOYSA-N 0 2 355.310 1.437 20 5 FDBDLN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186669409 536240745 /nfs/dbraw/zinc/24/07/45/536240745.db2.gz RMSIVSQVZWQSPS-UHFFFAOYSA-N 0 2 368.353 1.925 20 5 FDBDLN O=C(Nc1cc(-c2cccnc2)nn1CCO)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365140446 537436696 /nfs/dbraw/zinc/43/66/96/537436696.db2.gz LMGNNQKAWOEONV-UHFFFAOYSA-N 0 2 369.337 1.804 20 5 FDBDLN C[C@H]1CN(c2ccc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000273371766 537438155 /nfs/dbraw/zinc/43/81/55/537438155.db2.gz KYFZISJKXRZEDC-LBPRGKRZSA-N 0 2 372.381 1.851 20 5 FDBDLN CCc1n[nH]c(C(=O)N2CCC(C3N=NC(=S)O3)CC2)c1[N+](=O)[O-] ZINC000373059991 538088771 /nfs/dbraw/zinc/08/87/71/538088771.db2.gz UKMGSAYPNWNPCO-UHFFFAOYSA-N 0 2 352.376 1.572 20 5 FDBDLN CCc1[nH]nc(C(=O)N2CCC(C3N=NC(=S)O3)CC2)c1[N+](=O)[O-] ZINC000373059991 538088772 /nfs/dbraw/zinc/08/87/72/538088772.db2.gz UKMGSAYPNWNPCO-UHFFFAOYSA-N 0 2 352.376 1.572 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1[C@H]1CCOC1 ZINC000451100465 538186505 /nfs/dbraw/zinc/18/65/05/538186505.db2.gz UHYGSXRQTYTMLN-LBPRGKRZSA-N 0 2 352.372 1.862 20 5 FDBDLN CCCCc1cnc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])nc1 ZINC000451100674 538186653 /nfs/dbraw/zinc/18/66/53/538186653.db2.gz WLDFSHCKHRTDCO-UHFFFAOYSA-N 0 2 354.392 1.745 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1OC ZINC000461105301 538503203 /nfs/dbraw/zinc/50/32/03/538503203.db2.gz AJKYPUGGFSKXID-UHFFFAOYSA-N 0 2 367.339 1.008 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CCOc3ccc([N+](=O)[O-])cc3C1)c2=O ZINC000461399253 538515471 /nfs/dbraw/zinc/51/54/71/538515471.db2.gz AQWLWJNMVFKMOG-UHFFFAOYSA-N 0 2 369.337 1.617 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC)cn1 ZINC000479140254 538786662 /nfs/dbraw/zinc/78/66/62/538786662.db2.gz VUUJWDJCOISKGA-UHFFFAOYSA-N 0 2 364.383 1.713 20 5 FDBDLN O=C([O-])c1ccnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000563887813 546723800 /nfs/dbraw/zinc/72/38/00/546723800.db2.gz BCKMUUAFDKKMPT-HNNXBMFYSA-N 0 2 368.415 1.308 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000564598232 546967805 /nfs/dbraw/zinc/96/78/05/546967805.db2.gz SOGQYYVSZQDIER-UHFFFAOYSA-N 0 2 368.411 1.731 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@H+]1C ZINC000565605083 547416055 /nfs/dbraw/zinc/41/60/55/547416055.db2.gz ZPFQPFCLXKGKBE-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC[N@@H+]1C ZINC000565605083 547416058 /nfs/dbraw/zinc/41/60/58/547416058.db2.gz ZPFQPFCLXKGKBE-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])C2 ZINC000566342407 547722074 /nfs/dbraw/zinc/72/20/74/547722074.db2.gz KMDROWOYYGNSMY-LLVKDONJSA-N 0 2 360.370 1.085 20 5 FDBDLN O=C([O-])c1ccc(N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)[nH+]c1 ZINC000572164183 549856214 /nfs/dbraw/zinc/85/62/14/549856214.db2.gz UBPAVRJKICLCLH-UHFFFAOYSA-N 0 2 369.341 1.057 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000573671635 550188327 /nfs/dbraw/zinc/18/83/27/550188327.db2.gz SHWHZSLTWNRQNK-LBPRGKRZSA-N 0 2 360.370 1.085 20 5 FDBDLN Nc1c(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)cc(F)cc1[N+](=O)[O-] ZINC000582917798 551281248 /nfs/dbraw/zinc/28/12/48/551281248.db2.gz IOBPLDAAGPVZCJ-SSDOTTSWSA-N 0 2 351.294 1.425 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c[nH]1 ZINC000585730979 551589382 /nfs/dbraw/zinc/58/93/82/551589382.db2.gz UKJJNCUQFLHPOW-UHFFFAOYSA-N 0 2 368.371 1.858 20 5 FDBDLN CN(C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000586866951 551628583 /nfs/dbraw/zinc/62/85/83/551628583.db2.gz XGECDSFHLXKBJH-LLVKDONJSA-N 0 2 371.415 1.044 20 5 FDBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nnn1Cc1ccncc1 ZINC000590561635 551792650 /nfs/dbraw/zinc/79/26/50/551792650.db2.gz COUCXSBTMHPJMM-UHFFFAOYSA-N 0 2 354.326 1.896 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(F)cc1[N+](=O)[O-] ZINC000590598008 551796426 /nfs/dbraw/zinc/79/64/26/551796426.db2.gz KUEIXURZUTURSP-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)NCCc2cn3ccccc3[nH+]2)ccc1[O-] ZINC000591713175 551901718 /nfs/dbraw/zinc/90/17/18/551901718.db2.gz GRSPWUMWXPPTHW-UHFFFAOYSA-N 0 2 362.367 1.469 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)cc1 ZINC000594696832 552357079 /nfs/dbraw/zinc/35/70/79/552357079.db2.gz OQWDKQVRRXXZEM-UHFFFAOYSA-N 0 2 352.372 1.944 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594696200 552357132 /nfs/dbraw/zinc/35/71/32/552357132.db2.gz LHBDKQWYESVYRW-YGRLFVJLSA-N 0 2 360.388 1.397 20 5 FDBDLN CC(C)(C)c1nnc(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])s1 ZINC000594762092 552374999 /nfs/dbraw/zinc/37/49/99/552374999.db2.gz YJILWYFJRMSAJC-UHFFFAOYSA-N 0 2 357.417 1.617 20 5 FDBDLN CCc1ccc([C@@H](COC)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000599242980 552999494 /nfs/dbraw/zinc/99/94/94/552999494.db2.gz QOLXFHNUFGJKNU-SNVBAGLBSA-N 0 2 358.376 1.150 20 5 FDBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F ZINC000599365824 553037627 /nfs/dbraw/zinc/03/76/27/553037627.db2.gz LFRRLHPIHWLVRA-VIFPVBQESA-N 0 2 365.293 1.268 20 5 FDBDLN Cc1cc(C2(NS(=O)(=O)c3ncccc3[N+](=O)[O-])CCOCC2)on1 ZINC000599514462 553078297 /nfs/dbraw/zinc/07/82/97/553078297.db2.gz IVORNKSLGZUJGW-UHFFFAOYSA-N 0 2 368.371 1.270 20 5 FDBDLN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000599751774 553137726 /nfs/dbraw/zinc/13/77/26/553137726.db2.gz YRGPRQSJJMPYPA-UHFFFAOYSA-N 0 2 366.374 1.048 20 5 FDBDLN COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600461307 553271717 /nfs/dbraw/zinc/27/17/17/553271717.db2.gz UIRQYLZNTDRCTF-GXFFZTMASA-N 0 2 352.343 1.389 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)n1 ZINC000600668994 553297178 /nfs/dbraw/zinc/29/71/78/553297178.db2.gz SDDFOYBLKVHTML-UHFFFAOYSA-N 0 2 373.416 1.480 20 5 FDBDLN CNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000613866265 554981116 /nfs/dbraw/zinc/98/11/16/554981116.db2.gz ZJRZOVYZBZFHGQ-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN Cn1cccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000613896314 554983458 /nfs/dbraw/zinc/98/34/58/554983458.db2.gz MGNVKMMBDBDWOZ-UHFFFAOYSA-N 0 2 358.354 1.237 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH]n1 ZINC000617203433 555402017 /nfs/dbraw/zinc/40/20/17/555402017.db2.gz WFNLOPBFRRKZSF-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436629246 568099994 /nfs/dbraw/zinc/09/99/94/568099994.db2.gz ITUPVMQTEVFZIK-ZWNOBZJWSA-N 0 2 371.415 1.138 20 5 FDBDLN CC1(C)COCC[N@@H+]1CCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736736889 599874131 /nfs/dbraw/zinc/87/41/31/599874131.db2.gz HQGJUBWYXQUFBM-UHFFFAOYSA-N 0 2 368.346 1.724 20 5 FDBDLN CC1(C)COCC[N@H+]1CCNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736736889 599874135 /nfs/dbraw/zinc/87/41/35/599874135.db2.gz HQGJUBWYXQUFBM-UHFFFAOYSA-N 0 2 368.346 1.724 20 5 FDBDLN O=C([O-])C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000262118387 601741094 /nfs/dbraw/zinc/74/10/94/601741094.db2.gz PELVMLUFBXGIRG-LBPRGKRZSA-N 0 2 360.326 1.096 20 5 FDBDLN CN(C(=O)[O-])C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000737938677 602536170 /nfs/dbraw/zinc/53/61/70/602536170.db2.gz FVKYDRHHHMPCBR-UHFFFAOYSA-N 0 2 362.386 1.558 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739172916 602753964 /nfs/dbraw/zinc/75/39/64/602753964.db2.gz WZNJXVITQBCSHL-TXEJJXNPSA-N 0 2 373.369 1.993 20 5 FDBDLN O=C([O-])NC[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832561492 603102851 /nfs/dbraw/zinc/10/28/51/603102851.db2.gz ILIKCPRIRQHLCM-LBPRGKRZSA-N 0 2 359.342 1.653 20 5 FDBDLN CC(C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738791983 603418692 /nfs/dbraw/zinc/41/86/92/603418692.db2.gz VMONNSMBYDGFIH-LBPRGKRZSA-N 0 2 361.358 1.803 20 5 FDBDLN C[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828499981 603518150 /nfs/dbraw/zinc/51/81/50/603518150.db2.gz CTNIHDKNJKDNOB-LBPRGKRZSA-N 0 2 368.415 1.097 20 5 FDBDLN C[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](CNC(=O)[O-])C1 ZINC000828499981 603518151 /nfs/dbraw/zinc/51/81/51/603518151.db2.gz CTNIHDKNJKDNOB-LBPRGKRZSA-N 0 2 368.415 1.097 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826451323 609256568 /nfs/dbraw/zinc/25/65/68/609256568.db2.gz AZXRKLGUGCGMNV-ZDUSSCGKSA-N 0 2 356.298 1.153 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000273750092 674569358 /nfs/dbraw/zinc/56/93/58/674569358.db2.gz NHBJYLYNGABFDE-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000276946497 674815661 /nfs/dbraw/zinc/81/56/61/674815661.db2.gz BOSXJQFVNAHGGK-UHFFFAOYSA-N 0 2 363.292 1.677 20 5 FDBDLN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436848319 681736581 /nfs/dbraw/zinc/73/65/81/681736581.db2.gz UWPOIXCRBRWRNJ-LLVKDONJSA-N 0 2 356.400 1.730 20 5 FDBDLN O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436949404 681746618 /nfs/dbraw/zinc/74/66/18/681746618.db2.gz KEVILAMTJGSNRG-UHFFFAOYSA-N 0 2 365.367 1.009 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)C)ccn2)cc1[N+](=O)[O-] ZINC000443422267 682295624 /nfs/dbraw/zinc/29/56/24/682295624.db2.gz HTBVZVPWEZHEDS-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccc1NC(C)=O ZINC000476432228 685723677 /nfs/dbraw/zinc/72/36/77/685723677.db2.gz RUGGHNGOEWDKFG-UHFFFAOYSA-N 0 2 366.355 1.180 20 5 FDBDLN CNS(=O)(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505295737 688490937 /nfs/dbraw/zinc/49/09/37/688490937.db2.gz MDIUCUAJUFOONG-UHFFFAOYSA-N 0 2 365.367 1.139 20 5 FDBDLN CC(C)c1nsc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000530931124 694812947 /nfs/dbraw/zinc/81/29/47/694812947.db2.gz SXKTVANIBIKPFK-UHFFFAOYSA-N 0 2 371.444 1.382 20 5 FDBDLN Cc1nc(CN2CCC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)no1 ZINC000375786434 783688901 /nfs/dbraw/zinc/68/89/01/783688901.db2.gz FEZCQSPHSWMIAI-LLVKDONJSA-N 0 2 361.358 1.386 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000377539000 792168538 /nfs/dbraw/zinc/16/85/38/792168538.db2.gz BATZGBWTWCCHTA-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2ccnn2CCO)CC1 ZINC000366766099 813940361 /nfs/dbraw/zinc/94/03/61/813940361.db2.gz WYJVTVRGSUUDEJ-UHFFFAOYSA-N 0 2 360.370 1.509 20 5 FDBDLN O=C(c1cccnc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436866235 816766276 /nfs/dbraw/zinc/76/62/76/816766276.db2.gz WTRFPWGQMMHRFK-UHFFFAOYSA-N 0 2 356.338 1.294 20 5 FDBDLN COc1ccccc1N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000436884058 816775348 /nfs/dbraw/zinc/77/53/48/816775348.db2.gz BEPBZRFXIPZIES-CYBMUJFWSA-N 0 2 371.349 1.844 20 5 FDBDLN COc1cccc(C(=O)NCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505997367 816960755 /nfs/dbraw/zinc/96/07/55/816960755.db2.gz UVZDHDWDRZESTK-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000760491856 840096420 /nfs/dbraw/zinc/09/64/20/840096420.db2.gz QJZYBDLBHAUVJD-UHFFFAOYSA-N 0 2 360.292 1.332 20 5 FDBDLN Cc1cc(Cn2nnc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2C)on1 ZINC000490607325 861633565 /nfs/dbraw/zinc/63/35/65/861633565.db2.gz PIUFHMYMTVOOSU-UHFFFAOYSA-N 0 2 358.314 1.797 20 5 FDBDLN COc1cccc(-c2nc(=NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)s[nH]2)c1 ZINC000484122925 850408349 /nfs/dbraw/zinc/40/83/49/850408349.db2.gz LBJYWCKBJNBFJB-UHFFFAOYSA-N 0 2 373.350 1.897 20 5 FDBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CCO)c1 ZINC000761892646 874790360 /nfs/dbraw/zinc/79/03/60/874790360.db2.gz XKVONADDIWNLBM-UHFFFAOYSA-N 0 2 360.779 1.546 20 5 FDBDLN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000750938287 904964534 /nfs/dbraw/zinc/96/45/34/904964534.db2.gz XNJDWEBMZYEYEA-UHFFFAOYSA-N 0 2 355.328 1.571 20 5 FDBDLN CN(C)[C@@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000921632462 909026196 /nfs/dbraw/zinc/02/61/96/909026196.db2.gz HJLHXQGBFFDZIW-JTQLQIEISA-N 0 2 373.328 1.895 20 5 FDBDLN Cc1ccc(NCCCNC(=O)C[C@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 ZINC000742695535 926146293 /nfs/dbraw/zinc/14/62/93/926146293.db2.gz LGACHIHRCWAKGV-GFCCVEGCSA-N 0 2 365.415 1.378 20 5 FDBDLN Cc1nonc1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815021995 941755468 /nfs/dbraw/zinc/75/54/68/941755468.db2.gz WDVQJDQWFDENQC-UHFFFAOYSA-N 0 2 350.715 1.557 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2c(C)cccc2[N+](=O)[O-])ccc1O ZINC000819728159 943712885 /nfs/dbraw/zinc/71/28/85/943712885.db2.gz ROZQBQBMDBVZPN-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000775149482 965816645 /nfs/dbraw/zinc/81/66/45/965816645.db2.gz FZJKDQBRMZKTBP-UHFFFAOYSA-N 0 2 362.751 1.969 20 5 FDBDLN C[C@H](CONC(=O)c1ccc([N+](=O)[O-])cc1O)NC(=O)OC(C)(C)C ZINC000776178549 975034843 /nfs/dbraw/zinc/03/48/43/975034843.db2.gz VVEDSLIJHJUVSF-SECBINFHSA-N 0 2 355.347 1.875 20 5 FDBDLN CC[C@@](COC)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)[O-] ZINC001595195255 979911707 /nfs/dbraw/zinc/91/17/07/979911707.db2.gz YUCCUPBEEKANSL-INIZCTEOSA-N 0 2 362.342 1.390 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC001597111058 986760318 /nfs/dbraw/zinc/76/03/18/986760318.db2.gz DQLDKWUVJFGWTE-UHFFFAOYSA-N 0 2 353.375 1.975 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+](CC(=O)[O-])CC(C)C)c([N+](=O)[O-])c1 ZINC001597111058 986760332 /nfs/dbraw/zinc/76/03/32/986760332.db2.gz DQLDKWUVJFGWTE-UHFFFAOYSA-N 0 2 353.375 1.975 20 5 FDBDLN CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598435224 991817179 /nfs/dbraw/zinc/81/71/79/991817179.db2.gz DBWQHCWFFAJYBA-JTQLQIEISA-N 0 2 373.793 1.076 20 5 FDBDLN NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000268826791 180165387 /nfs/dbraw/zinc/16/53/87/180165387.db2.gz LJJFBAIPGBFBCQ-UHFFFAOYSA-N 0 2 359.361 1.550 20 5 FDBDLN COC(=O)C1=NOC2(C1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000274762794 181161803 /nfs/dbraw/zinc/16/18/03/181161803.db2.gz YWDPIJKCRZCWKD-UHFFFAOYSA-N 0 2 363.326 1.225 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cn1C ZINC000534497186 540373701 /nfs/dbraw/zinc/37/37/01/540373701.db2.gz CMXYZVWFNQDVEN-UHFFFAOYSA-N 0 2 371.375 1.127 20 5 FDBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000537653017 540756572 /nfs/dbraw/zinc/75/65/72/540756572.db2.gz UQYFJEFXGQNFGV-UHFFFAOYSA-N 0 2 351.340 1.967 20 5 FDBDLN CNC(=O)COc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000538870139 540902566 /nfs/dbraw/zinc/90/25/66/540902566.db2.gz CZRABTDNBYMNHK-UHFFFAOYSA-N 0 2 359.338 1.606 20 5 FDBDLN CCO[C@@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])cc2O)(C(=O)OC)C1(C)C ZINC000275555499 181350669 /nfs/dbraw/zinc/35/06/69/181350669.db2.gz IHOARQMPZYZLGG-CXAGYDPISA-N 0 2 366.370 1.777 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000541925071 541299333 /nfs/dbraw/zinc/29/93/33/541299333.db2.gz QNUJGCBCTHILBG-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000542517861 541419705 /nfs/dbraw/zinc/41/97/05/541419705.db2.gz PXYDEORLNASNBI-UHFFFAOYSA-N 0 2 359.367 1.457 20 5 FDBDLN Cn1cc2c(n1)CCC[C@@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000282607377 182031219 /nfs/dbraw/zinc/03/12/19/182031219.db2.gz KMRXUCLKAYLPNA-LBPRGKRZSA-N 0 2 354.363 1.823 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295800843 184105745 /nfs/dbraw/zinc/10/57/45/184105745.db2.gz FAROTDNEFXQUMX-NWDGAFQWSA-N 0 2 355.350 1.722 20 5 FDBDLN CCOC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000170270262 258264402 /nfs/dbraw/zinc/26/44/02/258264402.db2.gz PSPYOTCJACZYCS-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)[nH]1 ZINC000549847692 542953612 /nfs/dbraw/zinc/95/36/12/542953612.db2.gz HKKMMBWFJYANAX-ZETCQYMHSA-N 0 2 359.389 1.048 20 5 FDBDLN CN(CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1ccccc1[N+](=O)[O-] ZINC000554833792 543879353 /nfs/dbraw/zinc/87/93/53/543879353.db2.gz CQGYEQWISYJXLW-UHFFFAOYSA-N 0 2 360.374 1.261 20 5 FDBDLN NC(=O)NC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000559152669 544598886 /nfs/dbraw/zinc/59/88/86/544598886.db2.gz OIEWURYECSERLU-UHFFFAOYSA-N 0 2 364.339 1.204 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000368250704 260156505 /nfs/dbraw/zinc/15/65/05/260156505.db2.gz DDXSBLGFRWNZLR-LBPRGKRZSA-N 0 2 350.371 1.958 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368601198 260207666 /nfs/dbraw/zinc/20/76/66/260207666.db2.gz FOFMVAFKCYKJQH-HNNXBMFYSA-N 0 2 369.377 1.874 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nccc(-c2cnn(C)c2)n1 ZINC000373369503 261004788 /nfs/dbraw/zinc/00/47/88/261004788.db2.gz NXEVKBKIPBQIKT-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2c(Br)cnc2C1 ZINC000376012944 261475127 /nfs/dbraw/zinc/47/51/27/261475127.db2.gz LFPHWHQLTYRXBM-UHFFFAOYSA-N 0 2 367.159 1.915 20 5 FDBDLN CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000270870486 674280441 /nfs/dbraw/zinc/28/04/41/674280441.db2.gz TVLCRXBASDVZFB-OIBJUYFYSA-N 0 2 360.285 1.714 20 5 FDBDLN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000031747415 519459081 /nfs/dbraw/zinc/45/90/81/519459081.db2.gz RERPXEFYNFYKTE-UHFFFAOYSA-N 0 2 365.367 1.139 20 5 FDBDLN NC(=O)CCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000043270115 521842106 /nfs/dbraw/zinc/84/21/06/521842106.db2.gz FNDRUFLRGOVEAV-UHFFFAOYSA-N 0 2 365.367 1.650 20 5 FDBDLN COc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000045712859 522141398 /nfs/dbraw/zinc/14/13/98/522141398.db2.gz HZFOBFJENFFLQS-UHFFFAOYSA-N 0 2 367.383 1.808 20 5 FDBDLN Cc1cc(C)nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000157621816 524307936 /nfs/dbraw/zinc/30/79/36/524307936.db2.gz CYPMUERXPUKYCD-UHFFFAOYSA-N 0 2 357.370 1.670 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721146 524707245 /nfs/dbraw/zinc/70/72/45/524707245.db2.gz KVUVHBLTPXFEQO-HNNXBMFYSA-N 0 2 363.462 1.491 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nnnn1-c1ccccc1 ZINC000115727033 525052841 /nfs/dbraw/zinc/05/28/41/525052841.db2.gz ILMZHJUEXPYOEE-JTQLQIEISA-N 0 2 354.326 1.767 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)cc1 ZINC000171155944 525874993 /nfs/dbraw/zinc/87/49/93/525874993.db2.gz FAFHKWUJMKWCBJ-LLVKDONJSA-N 0 2 352.372 1.629 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000184886573 536189834 /nfs/dbraw/zinc/18/98/34/536189834.db2.gz MEQPPZYEBOAIPX-IAQYHMDHSA-N 0 2 359.382 1.916 20 5 FDBDLN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185137207 536199955 /nfs/dbraw/zinc/19/99/55/536199955.db2.gz GJVBKXXQUQPVRE-ABAIWWIYSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C1N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)Nc2ccc(N3CCOCC3)cc21 ZINC000298787962 537313357 /nfs/dbraw/zinc/31/33/57/537313357.db2.gz QDKXCUKVKWQJED-KRWDZBQOSA-N 0 2 370.365 1.991 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(C)nc1 ZINC000384215888 537759321 /nfs/dbraw/zinc/75/93/21/537759321.db2.gz QNUONQYKTVKVRS-UHFFFAOYSA-N 0 2 352.328 1.281 20 5 FDBDLN CN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000483441338 538701171 /nfs/dbraw/zinc/70/11/71/538701171.db2.gz QHRAWYUKUQDYSG-LRDDRELGSA-N 0 2 356.338 1.854 20 5 FDBDLN CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)Cc2ccccc21 ZINC000489456736 538813569 /nfs/dbraw/zinc/81/35/69/538813569.db2.gz JKOONGVZWUBXLJ-UHFFFAOYSA-N 0 2 364.383 1.345 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000561061730 545670213 /nfs/dbraw/zinc/67/02/13/545670213.db2.gz FEWRJHLCIRIUMQ-UHFFFAOYSA-N 0 2 363.355 1.984 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1n[n-]c(=[NH2+])n1C ZINC000565213068 547257249 /nfs/dbraw/zinc/25/72/49/547257249.db2.gz KFHNGDJTRAIRMM-SSDOTTSWSA-N 0 2 352.376 1.433 20 5 FDBDLN C[C@H]1CN(c2ccc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000566295404 547698845 /nfs/dbraw/zinc/69/88/45/547698845.db2.gz XGZFDDZPRLMIPM-NSHDSACASA-N 0 2 373.369 1.920 20 5 FDBDLN O=C([O-])C1CCN(C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000571290317 549593970 /nfs/dbraw/zinc/59/39/70/549593970.db2.gz BWRDKFOQGQXSOE-UHFFFAOYSA-N 0 2 361.398 1.882 20 5 FDBDLN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000571290317 549593971 /nfs/dbraw/zinc/59/39/71/549593971.db2.gz BWRDKFOQGQXSOE-UHFFFAOYSA-N 0 2 361.398 1.882 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cnccc2-n2ccnn2)c([N+](=O)[O-])c1 ZINC000579166818 550843058 /nfs/dbraw/zinc/84/30/58/550843058.db2.gz GESHYUHWIXMVGE-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000586791939 551620138 /nfs/dbraw/zinc/62/01/38/551620138.db2.gz RXLSQVDRRMHTIV-ZDUSSCGKSA-N 0 2 352.343 1.483 20 5 FDBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)nnn1Cc1ccncc1 ZINC000590563070 551792676 /nfs/dbraw/zinc/79/26/76/551792676.db2.gz QAQDWOKOIBOFTQ-UHFFFAOYSA-N 0 2 354.326 1.896 20 5 FDBDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592904009 552041402 /nfs/dbraw/zinc/04/14/02/552041402.db2.gz YKORWPNZNNPPIE-ZDUSSCGKSA-N 0 2 361.276 1.441 20 5 FDBDLN COc1ccnc(N2CC[NH+](Cc3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n1 ZINC000593732444 552185905 /nfs/dbraw/zinc/18/59/05/552185905.db2.gz MPEWVURBVIWRIH-UHFFFAOYSA-N 0 2 373.369 1.414 20 5 FDBDLN CCOC(=O)Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000594466454 552316729 /nfs/dbraw/zinc/31/67/29/552316729.db2.gz OLZFODMAEUKAAP-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN COCc1nccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000594727951 552365158 /nfs/dbraw/zinc/36/51/58/552365158.db2.gz AYEPADLPYPEBSJ-UHFFFAOYSA-N 0 2 352.372 1.949 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2ccnc(COC)n2)cc1[N+](=O)[O-] ZINC000594730938 552366405 /nfs/dbraw/zinc/36/64/05/552366405.db2.gz YSNWULOYAYGHCL-UHFFFAOYSA-N 0 2 352.372 1.894 20 5 FDBDLN C[C@](CCF)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000595247558 552504615 /nfs/dbraw/zinc/50/46/15/552504615.db2.gz BXZRNYYDVBCSDQ-OAHLLOKOSA-N 0 2 350.306 1.713 20 5 FDBDLN O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000595977275 552640764 /nfs/dbraw/zinc/64/07/64/552640764.db2.gz FUCVYGUIVVKQLT-DUVNUKRYSA-N 0 2 365.386 1.063 20 5 FDBDLN CC1(c2nc(=NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)s[nH]2)CC1 ZINC000600226772 553232546 /nfs/dbraw/zinc/23/25/46/553232546.db2.gz AIBWVBYPKKVFQS-UHFFFAOYSA-N 0 2 362.367 1.943 20 5 FDBDLN O=C(c1cccc([O-])c1[N+](=O)[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000602199102 553538176 /nfs/dbraw/zinc/53/81/76/553538176.db2.gz MYTVJUKOXJCWRJ-UHFFFAOYSA-N 0 2 356.382 1.696 20 5 FDBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000609171474 554345991 /nfs/dbraw/zinc/34/59/91/554345991.db2.gz BALPFSAQRMZPFP-UHFFFAOYSA-N 0 2 370.277 1.919 20 5 FDBDLN COCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609203072 554349549 /nfs/dbraw/zinc/34/95/49/554349549.db2.gz YSKWLEHDBSHGOB-UHFFFAOYSA-N 0 2 354.359 1.731 20 5 FDBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000609494415 554384028 /nfs/dbraw/zinc/38/40/28/554384028.db2.gz IIWMCBHJRZBFMS-UHFFFAOYSA-N 0 2 369.355 1.827 20 5 FDBDLN NS(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 ZINC000612544109 554803051 /nfs/dbraw/zinc/80/30/51/554803051.db2.gz UAOHHNXJWIOFES-UHFFFAOYSA-N 0 2 363.351 1.151 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000619467343 555781934 /nfs/dbraw/zinc/78/19/34/555781934.db2.gz BFFJPUYWYGXTBA-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436629243 568104810 /nfs/dbraw/zinc/10/48/10/568104810.db2.gz ITUPVMQTEVFZIK-GXFFZTMASA-N 0 2 371.415 1.138 20 5 FDBDLN Cc1ccn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)c1-c1nn[nH]n1 ZINC000822373829 607349406 /nfs/dbraw/zinc/34/94/06/607349406.db2.gz DIWLMZWZWDVJGU-UHFFFAOYSA-N 0 2 370.325 1.160 20 5 FDBDLN Cc1cc(S(=O)(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000832902626 601260462 /nfs/dbraw/zinc/26/04/62/601260462.db2.gz BEYNBBPZFHWDIB-GFCCVEGCSA-N 0 2 371.415 1.073 20 5 FDBDLN O=C([O-])N(CCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000740439769 601989313 /nfs/dbraw/zinc/98/93/13/601989313.db2.gz XXZXHICNRQWQNX-UHFFFAOYSA-N 0 2 359.342 1.653 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740625814 602772147 /nfs/dbraw/zinc/77/21/47/602772147.db2.gz MHJJBNKUGGXMNO-QWHCGFSZSA-N 0 2 373.369 1.947 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178812 602777693 /nfs/dbraw/zinc/77/76/93/602777693.db2.gz SCTMIELUZPBZMD-UTUOFQBUSA-N 0 2 350.375 1.900 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178812 602777697 /nfs/dbraw/zinc/77/76/97/602777697.db2.gz SCTMIELUZPBZMD-UTUOFQBUSA-N 0 2 350.375 1.900 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833410164 604918608 /nfs/dbraw/zinc/91/86/08/604918608.db2.gz AUVIXMIYCCPNGL-WDEREUQCSA-N 0 2 353.400 1.814 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833410164 604918610 /nfs/dbraw/zinc/91/86/10/604918610.db2.gz AUVIXMIYCCPNGL-WDEREUQCSA-N 0 2 353.400 1.814 20 5 FDBDLN O=C([O-])N1CC[NH+](CCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000834042684 605764972 /nfs/dbraw/zinc/76/49/72/605764972.db2.gz XCLFBEIDJAVTEC-UHFFFAOYSA-N 0 2 361.358 1.102 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ncc(-c3nn[nH]n3)s2)cc1[N+](=O)[O-] ZINC000822266498 607025911 /nfs/dbraw/zinc/02/59/11/607025911.db2.gz BKRRROFSCAUXAY-UHFFFAOYSA-N 0 2 367.372 1.341 20 5 FDBDLN COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000436958216 681747916 /nfs/dbraw/zinc/74/79/16/681747916.db2.gz DXUIKTQCJVAPHR-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H]1C ZINC000436958216 681747919 /nfs/dbraw/zinc/74/79/19/681747919.db2.gz DXUIKTQCJVAPHR-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)ccc1CCNS(=O)(=O)NCC(F)(F)F ZINC000443051439 682222282 /nfs/dbraw/zinc/22/22/82/682222282.db2.gz SVJKDFQYJYETOM-UHFFFAOYSA-N 0 2 361.729 1.777 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000443417567 682294827 /nfs/dbraw/zinc/29/48/27/682294827.db2.gz LKZZTJZYQZREBT-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000451109795 682820558 /nfs/dbraw/zinc/82/05/58/682820558.db2.gz WGBKCKXITJOHRA-UHFFFAOYSA-N 0 2 353.360 1.332 20 5 FDBDLN O=C(NCC(F)F)[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000456462105 683627964 /nfs/dbraw/zinc/62/79/64/683627964.db2.gz JGUBVNVTCCTMLN-NSHDSACASA-N 0 2 357.313 1.676 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000475835609 685653296 /nfs/dbraw/zinc/65/32/96/685653296.db2.gz RNLPAFVSCYLXHR-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n[nH]1 ZINC000486605392 686916899 /nfs/dbraw/zinc/91/68/99/686916899.db2.gz PBQUKCRSUFCEFX-BDAKNGLRSA-N 0 2 371.423 1.482 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000517434812 690066294 /nfs/dbraw/zinc/06/62/94/690066294.db2.gz AOEJLRYYJTXNJJ-JTQLQIEISA-N 0 2 367.387 1.295 20 5 FDBDLN CCn1nccc1N1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000276709362 779023874 /nfs/dbraw/zinc/02/38/74/779023874.db2.gz PSYJWZOVFWSVTH-CYBMUJFWSA-N 0 2 373.369 1.442 20 5 FDBDLN COc1ccccc1N1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000376062593 785738038 /nfs/dbraw/zinc/73/80/38/785738038.db2.gz TZIMCOUTFKTJDR-CYBMUJFWSA-N 0 2 371.349 1.844 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000378450016 794159506 /nfs/dbraw/zinc/15/95/06/794159506.db2.gz HBCWXGVWKHDWBD-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)N1Cc2ccccc2C1 ZINC000436896696 816786699 /nfs/dbraw/zinc/78/66/99/816786699.db2.gz ZMMHPWILRPFXJA-NSHDSACASA-N 0 2 355.350 1.961 20 5 FDBDLN Cc1nc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001029964495 831933315 /nfs/dbraw/zinc/93/33/15/831933315.db2.gz MBCKUABKXMJPJG-HUUCEWRRSA-N 0 2 350.419 1.627 20 5 FDBDLN Cc1nc(CN(C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)oc1C ZINC001029964495 831933320 /nfs/dbraw/zinc/93/33/20/831933320.db2.gz MBCKUABKXMJPJG-HUUCEWRRSA-N 0 2 350.419 1.627 20 5 FDBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n1 ZINC000484244610 850620333 /nfs/dbraw/zinc/62/03/33/850620333.db2.gz IAGUHQVDNFIHBW-UHFFFAOYSA-N 0 2 356.298 1.741 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nccc(-c3cnn(C)c3)n2)c([N+](=O)[O-])c1 ZINC000486560695 854840706 /nfs/dbraw/zinc/84/07/06/854840706.db2.gz JTWXFQCFXFZCAB-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN N=C1NC(=O)[C@H](CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)S1 ZINC000765841553 896748901 /nfs/dbraw/zinc/74/89/01/896748901.db2.gz QGKWDBHYLFLNHS-GWCFXTLKSA-N 0 2 366.424 1.725 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000770861452 930289827 /nfs/dbraw/zinc/28/98/27/930289827.db2.gz IYKAXEJBCLVSHD-UHFFFAOYSA-N 0 2 367.358 1.875 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCO)Cc1cccnc1Cl ZINC000794324059 938386690 /nfs/dbraw/zinc/38/66/90/938386690.db2.gz LCEIJONOVZRQKN-UHFFFAOYSA-N 0 2 351.746 1.984 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856614311 971259852 /nfs/dbraw/zinc/25/98/52/971259852.db2.gz NFUZZYJTJDDXAK-GXTWGEPZSA-N 0 2 370.365 1.291 20 5 FDBDLN COC(=O)c1ccc(N)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001174479771 962880691 /nfs/dbraw/zinc/88/06/91/962880691.db2.gz KSQMGGJDAWDJMI-UHFFFAOYSA-N 0 2 351.340 1.764 20 5 FDBDLN O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCc1n[nH]c(=O)[nH]1 ZINC000774913120 964043855 /nfs/dbraw/zinc/04/38/55/964043855.db2.gz QQZCFBFVCUIDCR-UHFFFAOYSA-N 0 2 350.334 1.722 20 5 FDBDLN CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001591910550 976321465 /nfs/dbraw/zinc/32/14/65/976321465.db2.gz IHDDOTBWNLJTRU-CQSZACIVSA-N 0 2 371.415 1.254 20 5 FDBDLN CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC[N@H+]1C ZINC001591910550 976321476 /nfs/dbraw/zinc/32/14/76/976321476.db2.gz IHDDOTBWNLJTRU-CQSZACIVSA-N 0 2 371.415 1.254 20 5 FDBDLN Cc1cnn(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000849336321 977440049 /nfs/dbraw/zinc/44/00/49/977440049.db2.gz XSUKHCGEQWDERC-UHFFFAOYSA-N 0 2 369.359 1.963 20 5 FDBDLN C[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1(C)C ZINC001598621431 994011412 /nfs/dbraw/zinc/01/14/12/994011412.db2.gz QOLYYTBUDLMETN-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN C[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1(C)C ZINC001598621431 994011421 /nfs/dbraw/zinc/01/14/21/994011421.db2.gz QOLYYTBUDLMETN-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN Cc1nonc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864236 1008284880 /nfs/dbraw/zinc/28/48/80/1008284880.db2.gz BFAKTPMLZDLGDR-UHFFFAOYSA-N 0 2 350.715 1.557 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000511905067 538965855 /nfs/dbraw/zinc/96/58/55/538965855.db2.gz IMDYIICZGSNFDX-UHFFFAOYSA-N 0 2 357.326 1.521 20 5 FDBDLN COCCn1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000269619179 180342587 /nfs/dbraw/zinc/34/25/87/180342587.db2.gz MPHXPLJVWKEYDT-UHFFFAOYSA-N 0 2 360.779 1.892 20 5 FDBDLN COC(=O)C1=NOC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000274688017 181146438 /nfs/dbraw/zinc/14/64/38/181146438.db2.gz KYIZAAIKJSYIHJ-UHFFFAOYSA-N 0 2 363.326 1.225 20 5 FDBDLN C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545556246 541998815 /nfs/dbraw/zinc/99/88/15/541998815.db2.gz AHOLGEVIDYMAID-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545556246 541998817 /nfs/dbraw/zinc/99/88/17/541998817.db2.gz AHOLGEVIDYMAID-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286392679 183055181 /nfs/dbraw/zinc/05/51/81/183055181.db2.gz JJIIAFGOBGKVSZ-LBPRGKRZSA-N 0 2 363.292 1.293 20 5 FDBDLN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000286449745 183068855 /nfs/dbraw/zinc/06/88/55/183068855.db2.gz RMNVQFNOFSMHHS-CYBMUJFWSA-N 0 2 362.260 1.868 20 5 FDBDLN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000287688964 183356458 /nfs/dbraw/zinc/35/64/58/183356458.db2.gz JTQZXKQJVCCXJY-NSHDSACASA-N 0 2 351.359 1.993 20 5 FDBDLN COCCOC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000296024097 184123170 /nfs/dbraw/zinc/12/31/70/184123170.db2.gz LWLSENCCYWVCLZ-UHFFFAOYSA-N 0 2 354.359 1.242 20 5 FDBDLN O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552138842 543424058 /nfs/dbraw/zinc/42/40/58/543424058.db2.gz IAVLUXFAFLKXFF-CYBMUJFWSA-N 0 2 370.321 1.303 20 5 FDBDLN Cc1sc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000555367041 543948415 /nfs/dbraw/zinc/94/84/15/543948415.db2.gz CQBCCNIOHAQMRI-QMMMGPOBSA-N 0 2 373.416 1.357 20 5 FDBDLN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1ccc(=O)[nH][nH]1 ZINC000560111576 544890844 /nfs/dbraw/zinc/89/08/44/544890844.db2.gz UVUYWVAXNQXQSH-UHFFFAOYSA-N 0 2 353.132 2.414 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nccc(-c2cnn(C)c2)n1 ZINC000365963230 259893875 /nfs/dbraw/zinc/89/38/75/259893875.db2.gz OFIIYFVQJHQVOT-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000368375511 260174136 /nfs/dbraw/zinc/17/41/36/260174136.db2.gz VXLDELGGYRCAPW-NSHDSACASA-N 0 2 356.338 1.683 20 5 FDBDLN COCCn1ncc2c1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)CCC2 ZINC000369897509 260450388 /nfs/dbraw/zinc/45/03/88/260450388.db2.gz IXRCIZFIYBHJGK-AWEZNQCLSA-N 0 2 360.370 1.951 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000378506099 262041746 /nfs/dbraw/zinc/04/17/46/262041746.db2.gz DEKFDWATZXXUTG-UHFFFAOYSA-N 0 2 365.367 1.872 20 5 FDBDLN CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000032595837 519516503 /nfs/dbraw/zinc/51/65/03/519516503.db2.gz GTONTMGIRJPTGR-UHFFFAOYSA-N 0 2 371.396 1.767 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000058497237 522266932 /nfs/dbraw/zinc/26/69/32/522266932.db2.gz HCXUQFGKUDYTKJ-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000093930489 525007717 /nfs/dbraw/zinc/00/77/17/525007717.db2.gz ZLEHQOMDTPCNPX-GFCCVEGCSA-N 0 2 352.372 1.862 20 5 FDBDLN O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000153561738 525248945 /nfs/dbraw/zinc/24/89/45/525248945.db2.gz MUUFNLMUHZDKPI-LBPRGKRZSA-N 0 2 370.325 1.702 20 5 FDBDLN O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132098352 525936401 /nfs/dbraw/zinc/93/64/01/525936401.db2.gz KIECTCPSQMJSCL-UHFFFAOYSA-N 0 2 371.275 1.951 20 5 FDBDLN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185291148 536204529 /nfs/dbraw/zinc/20/45/29/536204529.db2.gz IRMNUEAEIVTPIZ-OAHLLOKOSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C([O-])C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000262857001 536922057 /nfs/dbraw/zinc/92/20/57/536922057.db2.gz FCIRQXKSUSVWEI-MRXNPFEDSA-N 0 2 360.326 1.144 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cnn(C)c3)o2)cc1[N+](=O)[O-] ZINC000190365685 537169207 /nfs/dbraw/zinc/16/92/07/537169207.db2.gz VRBSWVPGRQBWQW-UHFFFAOYSA-N 0 2 364.343 1.488 20 5 FDBDLN CN(C(=O)[C@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000272359917 537270326 /nfs/dbraw/zinc/27/03/26/537270326.db2.gz DZNPYNLXSQOZMV-GFCCVEGCSA-N 0 2 351.384 1.436 20 5 FDBDLN Cn1ccnc1-c1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000366845247 537873618 /nfs/dbraw/zinc/87/36/18/537873618.db2.gz SOIGZLAPRLJXBN-UHFFFAOYSA-N 0 2 366.384 1.648 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000377484121 537965609 /nfs/dbraw/zinc/96/56/09/537965609.db2.gz IMYYSCQJGLRIQV-SMDDNHRTSA-N 0 2 372.385 1.403 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000494538562 538554659 /nfs/dbraw/zinc/55/46/59/538554659.db2.gz WKHVGXFYWGKVSS-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1 ZINC000466957524 538584580 /nfs/dbraw/zinc/58/45/80/538584580.db2.gz IQCLUJDFIYYVBX-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000560578257 545548619 /nfs/dbraw/zinc/54/86/19/545548619.db2.gz JOGPBTJBZKTFQP-KGLIPLIRSA-N 0 2 354.384 1.482 20 5 FDBDLN O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560696906 545583485 /nfs/dbraw/zinc/58/34/85/545583485.db2.gz YEQFPNNIRGYCSC-UHFFFAOYSA-N 0 2 374.284 1.748 20 5 FDBDLN NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000561467927 545864260 /nfs/dbraw/zinc/86/42/60/545864260.db2.gz MWPFMFRQDRSHNL-LBPRGKRZSA-N 0 2 363.757 1.780 20 5 FDBDLN CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000566989394 547956138 /nfs/dbraw/zinc/95/61/38/547956138.db2.gz BLSFNIFLBGPGMN-UHFFFAOYSA-N 0 2 372.337 1.110 20 5 FDBDLN C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000567879525 548305311 /nfs/dbraw/zinc/30/53/11/548305311.db2.gz VFJHKRAJGVVYNE-DGCLKSJQSA-N 0 2 358.354 1.963 20 5 FDBDLN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000570897997 549451387 /nfs/dbraw/zinc/45/13/87/549451387.db2.gz LIAVFZVWRHYYOG-NSHDSACASA-N 0 2 368.357 1.518 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000572004271 549822199 /nfs/dbraw/zinc/82/21/99/549822199.db2.gz YBKFOMZRNMVNNX-UHFFFAOYSA-N 0 2 359.264 2.367 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c1 ZINC000574955438 550398743 /nfs/dbraw/zinc/39/87/43/550398743.db2.gz PHCHNDGTUMGLFA-LLVKDONJSA-N 0 2 352.372 1.629 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H]2CCCO2)c(C)c([N+](=O)[O-])c1 ZINC000580689992 551008061 /nfs/dbraw/zinc/00/80/61/551008061.db2.gz MYWOWCBSTBBXNQ-LLVKDONJSA-N 0 2 358.372 1.611 20 5 FDBDLN Nc1c(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)cc(F)cc1[N+](=O)[O-] ZINC000582917799 551281273 /nfs/dbraw/zinc/28/12/73/551281273.db2.gz IOBPLDAAGPVZCJ-ZETCQYMHSA-N 0 2 351.294 1.425 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c[nH]1 ZINC000585731023 551589272 /nfs/dbraw/zinc/58/92/72/551589272.db2.gz YUGZLRQOHVWZNH-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C(=O)NC)n[nH]1 ZINC000593334528 552091252 /nfs/dbraw/zinc/09/12/52/552091252.db2.gz DANDBXBTIOGJKI-GFCCVEGCSA-N 0 2 357.370 1.952 20 5 FDBDLN CC(C)(C)OC(=O)Cn1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000598544029 552907732 /nfs/dbraw/zinc/90/77/32/552907732.db2.gz VPJCJNGYOBRLCO-UHFFFAOYSA-N 0 2 362.342 2.091 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2nnc(N3CCCC3)cc2C1 ZINC000598581649 552911144 /nfs/dbraw/zinc/91/11/44/552911144.db2.gz FCTZDQRRODGJMX-UHFFFAOYSA-N 0 2 369.381 1.889 20 5 FDBDLN O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600680188 553298773 /nfs/dbraw/zinc/29/87/73/553298773.db2.gz DRZZNTFRWCPMGD-HNNXBMFYSA-N 0 2 372.381 1.326 20 5 FDBDLN Cc1cc(=NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)[nH]nc1C ZINC000609644572 554407657 /nfs/dbraw/zinc/40/76/57/554407657.db2.gz FKFHOAOGSVVRLR-UHFFFAOYSA-N 0 2 350.356 1.657 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000832975997 601259688 /nfs/dbraw/zinc/25/96/88/601259688.db2.gz GIDZKRZVHMRSAA-GFCCVEGCSA-N 0 2 371.415 1.073 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832856178 601260498 /nfs/dbraw/zinc/26/04/98/601260498.db2.gz JRWRRJSQVKWXNT-NSHDSACASA-N 0 2 371.415 1.073 20 5 FDBDLN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740640791 601962634 /nfs/dbraw/zinc/96/26/34/601962634.db2.gz BLQQOHQUBWDDSB-SECBINFHSA-N 0 2 356.766 1.776 20 5 FDBDLN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740640791 601962635 /nfs/dbraw/zinc/96/26/35/601962635.db2.gz BLQQOHQUBWDDSB-SECBINFHSA-N 0 2 356.766 1.776 20 5 FDBDLN O=C([O-])N1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740417907 602585864 /nfs/dbraw/zinc/58/58/64/602585864.db2.gz SBQXUPWCZRUNBR-LBPRGKRZSA-N 0 2 359.342 1.653 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740625807 602772374 /nfs/dbraw/zinc/77/23/74/602772374.db2.gz MHJJBNKUGGXMNO-CHWSQXEVSA-N 0 2 373.369 1.947 20 5 FDBDLN O=C([O-])NCC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000740646955 603050859 /nfs/dbraw/zinc/05/08/59/603050859.db2.gz URLRZQPEDKFJAM-UHFFFAOYSA-N 0 2 360.374 1.790 20 5 FDBDLN C[C@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1NC(=O)[O-] ZINC000739193376 603393568 /nfs/dbraw/zinc/39/35/68/603393568.db2.gz SZQDSIPQGZFNEH-ONGXEEELSA-N 0 2 350.331 1.438 20 5 FDBDLN C[C@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1NC(=O)[O-] ZINC000739193376 603393573 /nfs/dbraw/zinc/39/35/73/603393573.db2.gz SZQDSIPQGZFNEH-ONGXEEELSA-N 0 2 350.331 1.438 20 5 FDBDLN Cc1cscc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000826321546 607664158 /nfs/dbraw/zinc/66/41/58/607664158.db2.gz IBDJVQGRTGLKTH-UHFFFAOYSA-N 0 2 366.384 1.946 20 5 FDBDLN O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000833307208 604269877 /nfs/dbraw/zinc/26/98/77/604269877.db2.gz KKYUFMOXFWGCSH-JTQLQIEISA-N 0 2 355.778 1.857 20 5 FDBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000277185487 674879686 /nfs/dbraw/zinc/87/96/86/674879686.db2.gz HKVRJDQZBCPWAO-UHFFFAOYSA-N 0 2 362.308 1.580 20 5 FDBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-n2cncn2)nc1 ZINC000194142081 672379385 /nfs/dbraw/zinc/37/93/85/672379385.db2.gz MTRVIJBEHRMLSN-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000365540245 677362468 /nfs/dbraw/zinc/36/24/68/677362468.db2.gz ZVYUFOBZBBBURY-LQJRIPTKSA-N 0 2 351.790 1.914 20 5 FDBDLN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000372272800 677883996 /nfs/dbraw/zinc/88/39/96/677883996.db2.gz JFVKMJATJMCBAG-NWDGAFQWSA-N 0 2 352.343 1.483 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cnc1C ZINC000427125699 680967482 /nfs/dbraw/zinc/96/74/82/680967482.db2.gz GMARFFFELBIPMT-UHFFFAOYSA-N 0 2 367.339 1.591 20 5 FDBDLN CC(=O)Nc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000433340694 681179733 /nfs/dbraw/zinc/17/97/33/681179733.db2.gz CKJPDSGJCMWLMS-UHFFFAOYSA-N 0 2 368.346 1.566 20 5 FDBDLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000437302709 681776669 /nfs/dbraw/zinc/77/66/69/681776669.db2.gz FXXJCXYGVQAOAT-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442797269 682181956 /nfs/dbraw/zinc/18/19/56/682181956.db2.gz WMAAQPHJSZBVNL-VIFPVBQESA-N 0 2 353.331 1.447 20 5 FDBDLN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000442797269 682181959 /nfs/dbraw/zinc/18/19/59/682181959.db2.gz WMAAQPHJSZBVNL-VIFPVBQESA-N 0 2 353.331 1.447 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cnccc2NC(C)=O)cc1[N+](=O)[O-] ZINC000446773353 682513219 /nfs/dbraw/zinc/51/32/19/682513219.db2.gz CAZRDUOBDNQJEL-UHFFFAOYSA-N 0 2 366.355 1.180 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000451104605 682818911 /nfs/dbraw/zinc/81/89/11/682818911.db2.gz GGMLKJQUMHYIJP-UHFFFAOYSA-N 0 2 353.360 1.332 20 5 FDBDLN CCCc1nsc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000461774692 684594000 /nfs/dbraw/zinc/59/40/00/684594000.db2.gz JCVWVOSKELSRMD-UHFFFAOYSA-N 0 2 371.444 1.211 20 5 FDBDLN Cc1oc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C ZINC000483438691 686507660 /nfs/dbraw/zinc/50/76/60/686507660.db2.gz BUGUYWUJBSMJNP-UHFFFAOYSA-N 0 2 369.355 1.704 20 5 FDBDLN COC(=O)COc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000512966914 810443768 /nfs/dbraw/zinc/44/37/68/810443768.db2.gz MEHYBKHDPZVSAT-UHFFFAOYSA-N 0 2 360.322 1.782 20 5 FDBDLN O=C(c1ccc(O)cc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000436752153 816705016 /nfs/dbraw/zinc/70/50/16/816705016.db2.gz QKHJBUIVZIMGOV-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)CCO2 ZINC000436939806 816803494 /nfs/dbraw/zinc/80/34/94/816803494.db2.gz REMKYHSCUXKNGA-INIZCTEOSA-N 0 2 372.333 1.879 20 5 FDBDLN O=C(Cc1ccccc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000506493862 817873194 /nfs/dbraw/zinc/87/31/94/817873194.db2.gz ASHMOSUMGKXDHV-UHFFFAOYSA-N 0 2 369.377 1.828 20 5 FDBDLN CCc1ccccc1N1CC(=O)C(C(=O)NCCn2cc([N+](=O)[O-])cn2)=N1 ZINC000427578114 819876679 /nfs/dbraw/zinc/87/66/79/819876679.db2.gz NNWMBDGWHGPNLP-UHFFFAOYSA-N 0 2 370.369 1.675 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000492806029 870380878 /nfs/dbraw/zinc/38/08/78/870380878.db2.gz HPKUSRNGDMKDIC-UHFFFAOYSA-N 0 2 363.462 1.411 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnc(Cl)n2C)cc([N+](=O)[O-])c1 ZINC000765098060 906368027 /nfs/dbraw/zinc/36/80/27/906368027.db2.gz MADOKGHULPCNMV-UHFFFAOYSA-N 0 2 374.762 1.569 20 5 FDBDLN Nc1nc(Cl)cc(=NNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000790398871 933540565 /nfs/dbraw/zinc/54/05/65/933540565.db2.gz VETNUOXMAAHSHS-UHFFFAOYSA-N 0 2 362.730 1.065 20 5 FDBDLN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808031030 940513323 /nfs/dbraw/zinc/51/33/23/940513323.db2.gz DUSMZORTHFVFJE-ZETCQYMHSA-N 0 2 350.310 1.160 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnnn2C)cc([N+](=O)[O-])c1C ZINC000808564925 940556558 /nfs/dbraw/zinc/55/65/58/940556558.db2.gz MPOZOXJDKVWUMS-UHFFFAOYSA-N 0 2 369.359 1.009 20 5 FDBDLN Cc1nn(Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1C ZINC000822501064 946105247 /nfs/dbraw/zinc/10/52/47/946105247.db2.gz UDAOVRGYVRYKSZ-UHFFFAOYSA-N 0 2 361.749 1.650 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845529476 949452028 /nfs/dbraw/zinc/45/20/28/949452028.db2.gz NXNMYGZRLHDNLH-JTQLQIEISA-N 0 2 352.372 1.556 20 5 FDBDLN O=C(NCc1cnc(Br)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000774273440 961969608 /nfs/dbraw/zinc/96/96/08/961969608.db2.gz IGHUSEIVGAIURW-UHFFFAOYSA-N 0 2 353.132 1.783 20 5 FDBDLN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H](C)C[N@@H+]1C ZINC001594554971 986279127 /nfs/dbraw/zinc/27/91/27/986279127.db2.gz RTQSGZFVJRRWCK-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])[C@@H](C)C[N@H+]1C ZINC001594554971 986279142 /nfs/dbraw/zinc/27/91/42/986279142.db2.gz RTQSGZFVJRRWCK-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2O1 ZINC000361463199 988388808 /nfs/dbraw/zinc/38/88/08/988388808.db2.gz PCPIBWRFWRHHOP-NOLJZWGESA-N 0 2 361.398 1.751 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cnn(CC[NH+]2CCOCC2)c1 ZINC000362318844 988632750 /nfs/dbraw/zinc/63/27/50/988632750.db2.gz MCHSYNWKNFCSPA-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FDBDLN COc1ccnc(N2CCC(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC2)n1 ZINC000370418732 989728404 /nfs/dbraw/zinc/72/84/04/989728404.db2.gz NLXCQYKTRFVRQC-UHFFFAOYSA-N 0 2 373.369 1.954 20 5 FDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000298783021 990280496 /nfs/dbraw/zinc/28/04/96/990280496.db2.gz AAERZWZFMRCZAN-JLLWLGSASA-N 0 2 361.354 1.803 20 5 FDBDLN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000372174018 990946605 /nfs/dbraw/zinc/94/66/05/990946605.db2.gz VIHUAIUBGFWSMT-AWEZNQCLSA-N 0 2 356.338 1.621 20 5 FDBDLN COC(=O)CCCc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000513275825 538992112 /nfs/dbraw/zinc/99/21/12/538992112.db2.gz KMPMEVXWJRQTFC-UHFFFAOYSA-N 0 2 366.355 1.900 20 5 FDBDLN CN(C[C@H](O)COCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274742987 181158461 /nfs/dbraw/zinc/15/84/61/181158461.db2.gz YWPXDHPJRFOFIH-HNNXBMFYSA-N 0 2 360.366 1.950 20 5 FDBDLN COCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000532669953 540182714 /nfs/dbraw/zinc/18/27/14/540182714.db2.gz NFUOYHNZBXEVJH-UHFFFAOYSA-N 0 2 359.338 1.815 20 5 FDBDLN COC(=O)c1nscc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000534942110 540429739 /nfs/dbraw/zinc/42/97/39/540429739.db2.gz OXGWZLBUNPMEHT-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN CN(C)c1nccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000537182456 540697564 /nfs/dbraw/zinc/69/75/64/540697564.db2.gz NDIPXMDWQMDDTE-UHFFFAOYSA-N 0 2 355.351 1.068 20 5 FDBDLN CN(C)C(=O)c1cccc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000538331181 540843166 /nfs/dbraw/zinc/84/31/66/540843166.db2.gz CAUGITPIRQXLEO-UHFFFAOYSA-N 0 2 357.366 1.975 20 5 FDBDLN CS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000539416075 540957165 /nfs/dbraw/zinc/95/71/65/540957165.db2.gz RVMDZNMMARPEEA-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000539447341 540961422 /nfs/dbraw/zinc/96/14/22/540961422.db2.gz ULKAUYPSRURYQL-UHFFFAOYSA-N 0 2 350.352 1.504 20 5 FDBDLN CCO[C@H]1C[C@@](NC(=O)c2cc([N+](=O)[O-])ccc2O)(C(=O)OC)C1(C)C ZINC000275606464 181365577 /nfs/dbraw/zinc/36/55/77/181365577.db2.gz MLWXRIKQLXTRRL-SUMWQHHRSA-N 0 2 366.370 1.777 20 5 FDBDLN COC(=O)c1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000542791223 541471667 /nfs/dbraw/zinc/47/16/67/541471667.db2.gz RTZPEXZKNRHPQD-UHFFFAOYSA-N 0 2 360.322 1.896 20 5 FDBDLN CC(C)N1C(=S)N=NC1CCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000283103614 182107533 /nfs/dbraw/zinc/10/75/33/182107533.db2.gz PLUIRMRUYPFEMV-UHFFFAOYSA-N 0 2 351.388 1.734 20 5 FDBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000549340878 542870524 /nfs/dbraw/zinc/87/05/24/542870524.db2.gz VODGWRJEWYJYID-UHFFFAOYSA-N 0 2 374.401 1.581 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000549983963 542981540 /nfs/dbraw/zinc/98/15/40/542981540.db2.gz TUZGHIVLGHYARK-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000552367430 543457414 /nfs/dbraw/zinc/45/74/14/543457414.db2.gz RZSKGEYVMIPGSW-UHFFFAOYSA-N 0 2 353.312 1.283 20 5 FDBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000103059383 172358790 /nfs/dbraw/zinc/35/87/90/172358790.db2.gz GIFUNIKRCACKPT-UHFFFAOYSA-N 0 2 364.318 1.715 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)nc2ncnn21 ZINC000559837954 544818274 /nfs/dbraw/zinc/81/82/74/544818274.db2.gz YTGJKMRHTBWAPI-UHFFFAOYSA-N 0 2 364.343 1.150 20 5 FDBDLN COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000299531297 259004421 /nfs/dbraw/zinc/00/44/21/259004421.db2.gz ZJGXJLRZTXGYDS-CYBMUJFWSA-N 0 2 367.383 1.283 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000326848521 259049870 /nfs/dbraw/zinc/04/98/70/259049870.db2.gz DDGDZVVMFYMCGH-LLVKDONJSA-N 0 2 370.362 1.910 20 5 FDBDLN NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368360622 260171704 /nfs/dbraw/zinc/17/17/04/260171704.db2.gz JMOOXOBNTJSQFN-GFCCVEGCSA-N 0 2 372.337 1.307 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368601199 260207862 /nfs/dbraw/zinc/20/78/62/260207862.db2.gz FOFMVAFKCYKJQH-OAHLLOKOSA-N 0 2 369.377 1.874 20 5 FDBDLN COc1cccc(-n2cc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)nn2)c1 ZINC000368860174 260250316 /nfs/dbraw/zinc/25/03/16/260250316.db2.gz LVRVJFVGBFYUGT-UHFFFAOYSA-N 0 2 369.337 1.820 20 5 FDBDLN COCCn1ncc2c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000373472621 261013477 /nfs/dbraw/zinc/01/34/77/261013477.db2.gz OTMUHUKFYSIWGP-CQSZACIVSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)cc1[N+](=O)[O-] ZINC000373817330 261044090 /nfs/dbraw/zinc/04/40/90/261044090.db2.gz YGJILWQGCCCBFE-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N[C@@H]1CCOc2ccccc21 ZINC000374435123 261131775 /nfs/dbraw/zinc/13/17/75/261131775.db2.gz PFCKXOCLDYUNPB-CYBMUJFWSA-N 0 2 371.349 1.670 20 5 FDBDLN CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000012678028 518628333 /nfs/dbraw/zinc/62/83/33/518628333.db2.gz UANAVLBMABJKFD-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN CS(=O)(=O)Nc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000057269635 522053286 /nfs/dbraw/zinc/05/32/86/522053286.db2.gz WRCARLPPNSGSGO-UHFFFAOYSA-N 0 2 361.336 1.209 20 5 FDBDLN C[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1cccc([N+](=O)[O-])c1 ZINC000057283103 522054292 /nfs/dbraw/zinc/05/42/92/522054292.db2.gz GRRHIYFDZJICLR-MRVPVSSYSA-N 0 2 355.310 1.423 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2nnnn2C)c1 ZINC000059772598 522341502 /nfs/dbraw/zinc/34/15/02/522341502.db2.gz YCMRYFOZDJAUCW-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2cncn2)nc1 ZINC000055583805 523829047 /nfs/dbraw/zinc/82/90/47/523829047.db2.gz FOUWGPDDMCCDRI-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112402834 524475581 /nfs/dbraw/zinc/47/55/81/524475581.db2.gz JPQXGIQLQHRIEG-LBPRGKRZSA-N 0 2 359.313 1.975 20 5 FDBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176717775 525168983 /nfs/dbraw/zinc/16/89/83/525168983.db2.gz GARDNBNIOMSEIJ-UHFFFAOYSA-N 0 2 350.294 1.960 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000164292732 525495362 /nfs/dbraw/zinc/49/53/62/525495362.db2.gz NIRULYKVADJRDA-UHFFFAOYSA-N 0 2 360.355 1.500 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cncc(-c2nncn2C)c1 ZINC000129411121 525651364 /nfs/dbraw/zinc/65/13/64/525651364.db2.gz IUTDOQDIXXAYEF-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n(C)n1 ZINC000129636816 525674701 /nfs/dbraw/zinc/67/47/01/525674701.db2.gz SWNUIMIGBUPLQQ-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000129704215 525682207 /nfs/dbraw/zinc/68/22/07/525682207.db2.gz PPDMBJCBLPOMOO-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000363705602 537290209 /nfs/dbraw/zinc/29/02/09/537290209.db2.gz JVYBJGGKQHZSNY-GFCCVEGCSA-N 0 2 357.370 1.737 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414331390 537783252 /nfs/dbraw/zinc/78/32/52/537783252.db2.gz FKBNSXAUGKKRBO-LBPRGKRZSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414331390 537783261 /nfs/dbraw/zinc/78/32/61/537783261.db2.gz FKBNSXAUGKKRBO-LBPRGKRZSA-N 0 2 371.415 1.398 20 5 FDBDLN O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1O ZINC000376045965 537825038 /nfs/dbraw/zinc/82/50/38/537825038.db2.gz TUQJYBNCUSYCDU-CYBMUJFWSA-N 0 2 370.321 1.814 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)c([N+](=O)[O-])n1 ZINC000446774042 538318272 /nfs/dbraw/zinc/31/82/72/538318272.db2.gz SRBDSGKSDLLBCD-UHFFFAOYSA-N 0 2 358.380 1.584 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000446960413 538333686 /nfs/dbraw/zinc/33/36/86/538333686.db2.gz OUYFEICURHQRNP-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN COc1cc(Cl)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1OC ZINC000461106191 538503569 /nfs/dbraw/zinc/50/35/69/538503569.db2.gz HBXUABKLGSAABR-UHFFFAOYSA-N 0 2 373.774 1.883 20 5 FDBDLN O=C(NCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000560609653 545556255 /nfs/dbraw/zinc/55/62/55/545556255.db2.gz LXONKIZVQUCCFB-UHFFFAOYSA-N 0 2 359.338 1.556 20 5 FDBDLN O=C1NCCc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000467775069 538687183 /nfs/dbraw/zinc/68/71/83/538687183.db2.gz ZWLJVOPVYMHZQM-UHFFFAOYSA-N 0 2 363.351 1.387 20 5 FDBDLN CCOC(=O)c1csc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000469660745 538809607 /nfs/dbraw/zinc/80/96/07/538809607.db2.gz DZVWRRZGIXSKJQ-UHFFFAOYSA-N 0 2 351.340 1.864 20 5 FDBDLN CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000561120251 545695912 /nfs/dbraw/zinc/69/59/12/545695912.db2.gz ASOVAEYVLDDIEI-GFCCVEGCSA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000565142788 547218413 /nfs/dbraw/zinc/21/84/13/547218413.db2.gz VZHVFFXBGGGKHG-IXPVHAAZSA-N 0 2 366.370 1.777 20 5 FDBDLN COCCC(=O)N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000566398934 547741083 /nfs/dbraw/zinc/74/10/83/547741083.db2.gz BTERHFBITLEEHO-UHFFFAOYSA-N 0 2 351.359 1.058 20 5 FDBDLN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cccc(O)c1[N+](=O)[O-] ZINC000566455823 547767571 /nfs/dbraw/zinc/76/75/71/547767571.db2.gz AMIBYSADGLQVTD-SNVBAGLBSA-N 0 2 365.773 1.930 20 5 FDBDLN C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567956101 548336217 /nfs/dbraw/zinc/33/62/17/548336217.db2.gz FJMIQWKEVAZIFE-JQWIXIFHSA-N 0 2 369.805 1.889 20 5 FDBDLN O=C(N=c1ccc(C2CC2)n[nH]1)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575344275 550455746 /nfs/dbraw/zinc/45/57/46/550455746.db2.gz AOKXNMJQQOEUIV-UHFFFAOYSA-N 0 2 367.365 1.786 20 5 FDBDLN CCOC(=O)c1csc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000576606291 550567556 /nfs/dbraw/zinc/56/75/56/550567556.db2.gz HROXHQIXAOHWRY-UHFFFAOYSA-N 0 2 365.367 1.906 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC000577186705 550629945 /nfs/dbraw/zinc/62/99/45/550629945.db2.gz HBINPHZOESXJAW-COPLHBTASA-N 0 2 366.370 1.777 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC000577186708 550630081 /nfs/dbraw/zinc/63/00/81/550630081.db2.gz HBINPHZOESXJAW-UHIISALHSA-N 0 2 366.370 1.777 20 5 FDBDLN CNS(=O)(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000590344798 551775153 /nfs/dbraw/zinc/77/51/53/551775153.db2.gz COSAMEHZPLJVHB-UHFFFAOYSA-N 0 2 366.355 1.429 20 5 FDBDLN C[C@@H]1C[NH+](CCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000591584696 551881723 /nfs/dbraw/zinc/88/17/23/551881723.db2.gz FYWQNNALJJDXCY-VXGBXAGGSA-N 0 2 373.431 1.078 20 5 FDBDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000592903555 552041258 /nfs/dbraw/zinc/04/12/58/552041258.db2.gz VSJBIWKUUCZVOH-ZDUSSCGKSA-N 0 2 361.276 1.441 20 5 FDBDLN C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000592980662 552051058 /nfs/dbraw/zinc/05/10/58/552051058.db2.gz USASBNPFABQNEX-UKRRQHHQSA-N 0 2 363.414 1.974 20 5 FDBDLN CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000593736561 552187210 /nfs/dbraw/zinc/18/72/10/552187210.db2.gz CCLMXVRKCTVCSW-NSHDSACASA-N 0 2 358.416 1.938 20 5 FDBDLN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000593736561 552187212 /nfs/dbraw/zinc/18/72/12/552187212.db2.gz CCLMXVRKCTVCSW-NSHDSACASA-N 0 2 358.416 1.938 20 5 FDBDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000594381357 552299641 /nfs/dbraw/zinc/29/96/41/552299641.db2.gz IMLZIBMZLGMRKF-NSHDSACASA-N 0 2 352.265 1.312 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000594529046 552328459 /nfs/dbraw/zinc/32/84/59/552328459.db2.gz YETDFVWFKOCMRH-UHFFFAOYSA-N 0 2 351.315 1.201 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCC1 ZINC000594529046 552328462 /nfs/dbraw/zinc/32/84/62/552328462.db2.gz YETDFVWFKOCMRH-UHFFFAOYSA-N 0 2 351.315 1.201 20 5 FDBDLN CC(C)(C)OC(=O)[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000598169894 552871622 /nfs/dbraw/zinc/87/16/22/552871622.db2.gz XLGXGTPXUOWOHY-INIZCTEOSA-N 0 2 352.343 1.531 20 5 FDBDLN COCCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611535152 554643067 /nfs/dbraw/zinc/64/30/67/554643067.db2.gz QVVQRDGGLYKUIF-UHFFFAOYSA-N 0 2 354.359 1.731 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000613978691 554992454 /nfs/dbraw/zinc/99/24/54/554992454.db2.gz YURXCBQASZEHFS-ZDUSSCGKSA-N 0 2 352.343 1.483 20 5 FDBDLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832995216 601637727 /nfs/dbraw/zinc/63/77/27/601637727.db2.gz VFDYEFJODCQXQI-UHFFFAOYSA-N 0 2 373.369 1.147 20 5 FDBDLN O=C([O-])N1CC[NH+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000740390959 603009418 /nfs/dbraw/zinc/00/94/18/603009418.db2.gz SSOMWFXSMIVUCK-UHFFFAOYSA-N 0 2 370.793 1.203 20 5 FDBDLN O=C([O-])[C@H]1CC12CC[NH+](Cn1nc(-c3ccc([N+](=O)[O-])cc3)oc1=O)CC2 ZINC000833771400 604530248 /nfs/dbraw/zinc/53/02/48/604530248.db2.gz DIDYGSMCFGQALT-CYBMUJFWSA-N 0 2 374.353 1.556 20 5 FDBDLN Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891093 604800813 /nfs/dbraw/zinc/80/08/13/604800813.db2.gz KZAMEIGILUHKKS-DEOSSOPVSA-N 0 2 355.416 1.102 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833413788 604975890 /nfs/dbraw/zinc/97/58/90/604975890.db2.gz ZYACIAFWSZVBIZ-QMTHXVAHSA-N 0 2 351.359 1.079 20 5 FDBDLN COc1cc(Cn2nc(C)c(C)c(-c3nn[nH]n3)c2=O)ccc1[N+](=O)[O-] ZINC000826179846 609419200 /nfs/dbraw/zinc/41/92/00/609419200.db2.gz HQRNZJFAGDJYEL-UHFFFAOYSA-N 0 2 357.330 1.005 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1F ZINC000126182593 671756659 /nfs/dbraw/zinc/75/66/59/671756659.db2.gz NOJQTPOIAWYYCE-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)n1 ZINC000129663410 671787298 /nfs/dbraw/zinc/78/72/98/671787298.db2.gz PUASXEZBQTZTLH-UHFFFAOYSA-N 0 2 374.806 1.971 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2c(C)cnn2C)c(C)c([N+](=O)[O-])c1 ZINC000284939181 675768506 /nfs/dbraw/zinc/76/85/06/675768506.db2.gz BBVPEUGOTXDGGE-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN O=C1COc2c(NS(=O)(=O)c3ccc([N+](=O)[O-])c(F)c3)cccc2N1 ZINC000378013648 678672344 /nfs/dbraw/zinc/67/23/44/678672344.db2.gz BQMLDIYZWDJSOW-UHFFFAOYSA-N 0 2 367.314 1.866 20 5 FDBDLN Cc1noc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000416468819 679633362 /nfs/dbraw/zinc/63/33/62/679633362.db2.gz HGSXNTMPDOCEAH-UHFFFAOYSA-N 0 2 366.277 1.784 20 5 FDBDLN CS(=O)(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436864967 681739444 /nfs/dbraw/zinc/73/94/44/681739444.db2.gz POCYZBHDGSNNRX-CQSZACIVSA-N 0 2 364.379 1.816 20 5 FDBDLN COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000436894840 681742018 /nfs/dbraw/zinc/74/20/18/681742018.db2.gz URIQPHRJTGLXSM-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H]1C ZINC000436894840 681742020 /nfs/dbraw/zinc/74/20/20/681742020.db2.gz URIQPHRJTGLXSM-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000436958217 681747815 /nfs/dbraw/zinc/74/78/15/681747815.db2.gz DXUIKTQCJVAPHR-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@@H]1C ZINC000436958217 681747817 /nfs/dbraw/zinc/74/78/17/681747817.db2.gz DXUIKTQCJVAPHR-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000436981999 681751010 /nfs/dbraw/zinc/75/10/10/681751010.db2.gz FFHQVQXDNKCIJD-ZDUSSCGKSA-N 0 2 352.343 1.246 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cncc(F)c2)cc([N+](=O)[O-])c1 ZINC000438729484 681877520 /nfs/dbraw/zinc/87/75/20/681877520.db2.gz WHWQNNHWSFTUQE-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000443464249 682301234 /nfs/dbraw/zinc/30/12/34/682301234.db2.gz VHDVQYHQHIUVMZ-UHFFFAOYSA-N 0 2 357.779 1.905 20 5 FDBDLN CCN(C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000468097260 684890030 /nfs/dbraw/zinc/89/00/30/684890030.db2.gz ILJOGGUBVWGASY-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN CC(C)C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000469447082 684969871 /nfs/dbraw/zinc/96/98/71/684969871.db2.gz XOTNUAIDGTVOOB-ZDUSSCGKSA-N 0 2 351.403 1.777 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000484243819 686579387 /nfs/dbraw/zinc/57/93/87/686579387.db2.gz KNWQYXCZNYQZDD-UHFFFAOYSA-N 0 2 361.339 1.678 20 5 FDBDLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000512941212 689648777 /nfs/dbraw/zinc/64/87/77/689648777.db2.gz VEGJIRZKIUBXSK-UHFFFAOYSA-N 0 2 355.328 1.869 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000525694414 694634427 /nfs/dbraw/zinc/63/44/27/694634427.db2.gz QBJNTXNJMDFSOL-MRVPVSSYSA-N 0 2 355.376 1.710 20 5 FDBDLN O=C(NCC[N@@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001167469829 777076639 /nfs/dbraw/zinc/07/66/39/777076639.db2.gz AQXDXTCGQKCKSY-UHFFFAOYSA-N 0 2 371.777 1.132 20 5 FDBDLN O=C(NCC[N@H+]1CCC2(C1)OCCO2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001167469829 777076642 /nfs/dbraw/zinc/07/66/42/777076642.db2.gz AQXDXTCGQKCKSY-UHFFFAOYSA-N 0 2 371.777 1.132 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755018683 781175249 /nfs/dbraw/zinc/17/52/49/781175249.db2.gz VEAMRUUQOPBCIV-UHFFFAOYSA-N 0 2 360.099 1.250 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375997028 785491489 /nfs/dbraw/zinc/49/14/89/785491489.db2.gz WWZHHQFTBKIOLB-CQSZACIVSA-N 0 2 369.377 1.874 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376069471 785769519 /nfs/dbraw/zinc/76/95/19/785769519.db2.gz RMSGGPFBNXASMV-NSHDSACASA-N 0 2 356.338 1.340 20 5 FDBDLN O=C(NCCCN1C(=O)COc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436871912 810000161 /nfs/dbraw/zinc/00/01/61/810000161.db2.gz UQLUJOKIBDYNEX-UHFFFAOYSA-N 0 2 371.349 1.846 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn(CC2CC2)nn1 ZINC000449843786 829693625 /nfs/dbraw/zinc/69/36/25/829693625.db2.gz IZHWZLLLEXODHF-UHFFFAOYSA-N 0 2 354.330 1.634 20 5 FDBDLN COc1ncc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1C(N)=O ZINC000761906259 874819159 /nfs/dbraw/zinc/81/91/59/874819159.db2.gz AVZQYTPGNZSSLT-UHFFFAOYSA-N 0 2 370.318 1.037 20 5 FDBDLN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000498578153 885318599 /nfs/dbraw/zinc/31/85/99/885318599.db2.gz SIADDZNYSFCIIN-QGZVFWFLSA-N 0 2 370.365 1.637 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c(F)c1 ZINC000921864149 892211767 /nfs/dbraw/zinc/21/17/67/892211767.db2.gz ZSSDASFVWVYVDB-WRWORJQWSA-N 0 2 372.296 1.980 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746075067 927581562 /nfs/dbraw/zinc/58/15/62/927581562.db2.gz BBAMHNUQCJSKCW-UHFFFAOYSA-N 0 2 363.717 1.376 20 5 FDBDLN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C(=O)[O-] ZINC001589347870 954062039 /nfs/dbraw/zinc/06/20/39/954062039.db2.gz IWDMPAFDMMMLFP-AAEUAGOBSA-N 0 2 358.354 1.963 20 5 FDBDLN O=C([O-])CC1(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CCOCC1 ZINC001606081506 973241189 /nfs/dbraw/zinc/24/11/89/973241189.db2.gz XRFDQMUJXVCJPI-UHFFFAOYSA-N 0 2 374.353 1.534 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000362319416 988632357 /nfs/dbraw/zinc/63/23/57/988632357.db2.gz QBYSLFLOOBVMDK-HIFRSBDPSA-N 0 2 363.370 1.799 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000363707713 989402288 /nfs/dbraw/zinc/40/22/88/989402288.db2.gz QVIZFODFZYHAMH-NSHDSACASA-N 0 2 356.338 1.340 20 5 FDBDLN NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372480258 991150507 /nfs/dbraw/zinc/15/05/07/991150507.db2.gz FDVDXFTWQBLBDR-NSHDSACASA-N 0 2 370.365 1.408 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cc(-c3ccccc3)[nH]n2)C1 ZINC000954242774 1006528286 /nfs/dbraw/zinc/52/82/86/1006528286.db2.gz WIFNQMAIHYZDOI-CZUORRHYSA-N 0 2 369.381 1.025 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000795590371 1007043989 /nfs/dbraw/zinc/04/39/89/1007043989.db2.gz HVHDQZDWKPHYSK-UHFFFAOYSA-N 0 2 360.373 1.272 20 5 FDBDLN O=C(OCCOCCNC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000779457120 1009584256 /nfs/dbraw/zinc/58/42/56/1009584256.db2.gz YJFQRHQVYCAIJD-UHFFFAOYSA-N 0 2 350.249 1.447 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000739587161 1012938484 /nfs/dbraw/zinc/93/84/84/1012938484.db2.gz ZEVLPPJHBSQJIU-ZDUSSCGKSA-N 0 2 373.369 1.995 20 5 FDBDLN CN(C)c1noc(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000193964344 178191306 /nfs/dbraw/zinc/19/13/06/178191306.db2.gz PZOOOTZPTUZBTL-UHFFFAOYSA-N 0 2 361.358 1.769 20 5 FDBDLN Cc1cc(=NC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]nc1C ZINC000522316397 539559410 /nfs/dbraw/zinc/55/94/10/539559410.db2.gz SHPYJKKFBQQWQQ-LLVKDONJSA-N 0 2 359.342 1.838 20 5 FDBDLN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264931374 179243482 /nfs/dbraw/zinc/24/34/82/179243482.db2.gz NWNKQTCSQBRQNL-JTQLQIEISA-N 0 2 363.399 1.737 20 5 FDBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000269669726 180356286 /nfs/dbraw/zinc/35/62/86/180356286.db2.gz AQKXHUORWLHGMG-SNVBAGLBSA-N 0 2 354.344 1.259 20 5 FDBDLN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272473576 180744795 /nfs/dbraw/zinc/74/47/95/180744795.db2.gz ZNMBFNVJSMZVRL-MFKMUULPSA-N 0 2 367.427 1.976 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000273267923 180895881 /nfs/dbraw/zinc/89/58/81/180895881.db2.gz USYYHQOXKUBKIA-GFCCVEGCSA-N 0 2 351.384 1.438 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])n1 ZINC000533787800 540286924 /nfs/dbraw/zinc/28/69/24/540286924.db2.gz WGOFIPMMLFSTDX-UHFFFAOYSA-N 0 2 363.359 1.193 20 5 FDBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1OCC(N)=O ZINC000534069581 540320500 /nfs/dbraw/zinc/32/05/00/540320500.db2.gz TUPRCSHBRBIVOK-UHFFFAOYSA-N 0 2 361.310 1.425 20 5 FDBDLN C[C@]1(c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)NC(=O)NC1=O ZINC000537773082 540773251 /nfs/dbraw/zinc/77/32/51/540773251.db2.gz CFKAMBXUZPHKKD-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000538870160 540902802 /nfs/dbraw/zinc/90/28/02/540902802.db2.gz HTXNGAAHHXDRMK-SSDOTTSWSA-N 0 2 350.360 1.741 20 5 FDBDLN Cc1cc(COCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)on1 ZINC000549185708 542848720 /nfs/dbraw/zinc/84/87/20/542848720.db2.gz ZNOXNLHKFLFYTL-UHFFFAOYSA-N 0 2 358.314 1.832 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(O)(Cc2ccncc2)CC1 ZINC000551932394 543380435 /nfs/dbraw/zinc/38/04/35/543380435.db2.gz YFANSSILMCXCRF-UHFFFAOYSA-N 0 2 357.366 1.905 20 5 FDBDLN Cc1nsc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000075207656 172090143 /nfs/dbraw/zinc/09/01/43/172090143.db2.gz DXWYOPDZRDTPPT-UHFFFAOYSA-N 0 2 363.399 1.813 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000175003856 173978771 /nfs/dbraw/zinc/97/87/71/173978771.db2.gz XNTAUDZKNQBMIE-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000557363072 544282637 /nfs/dbraw/zinc/28/26/37/544282637.db2.gz IXQHQORAXXTCEA-UHFFFAOYSA-N 0 2 369.337 1.659 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367600744 260066882 /nfs/dbraw/zinc/06/68/82/260066882.db2.gz ZQJBVLTUQCJODA-GFCCVEGCSA-N 0 2 356.338 1.340 20 5 FDBDLN CN(C)c1noc([C@@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000367631110 260070969 /nfs/dbraw/zinc/07/09/69/260070969.db2.gz BAWRHQFEFTZTRC-SNVBAGLBSA-N 0 2 361.358 1.769 20 5 FDBDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000367927040 260111449 /nfs/dbraw/zinc/11/14/49/260111449.db2.gz GJHKNAGFCFCDBB-UHFFFAOYSA-N 0 2 354.282 1.756 20 5 FDBDLN O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000374012583 261065393 /nfs/dbraw/zinc/06/53/93/261065393.db2.gz VUVBLDMZCZDCHB-CYBMUJFWSA-N 0 2 356.338 1.621 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000375377184 261326013 /nfs/dbraw/zinc/32/60/13/261326013.db2.gz FBRYLQAUIGKJPQ-GFCCVEGCSA-N 0 2 350.371 1.958 20 5 FDBDLN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375623683 261384082 /nfs/dbraw/zinc/38/40/82/261384082.db2.gz KVKLCQXMVGPBDX-CYBMUJFWSA-N 0 2 355.350 1.831 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)cc1C ZINC000378457583 262028740 /nfs/dbraw/zinc/02/87/40/262028740.db2.gz WDFHTDCDWFHXAA-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000017320151 518781075 /nfs/dbraw/zinc/78/10/75/518781075.db2.gz VRIGUJREHAKUKX-UHFFFAOYSA-N 0 2 367.408 1.973 20 5 FDBDLN O=C(c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000024627506 519000582 /nfs/dbraw/zinc/00/05/82/519000582.db2.gz FMDVFACYGVSSGP-UHFFFAOYSA-N 0 2 355.350 1.899 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c1C ZINC000135792306 524170914 /nfs/dbraw/zinc/17/09/14/524170914.db2.gz STOGXBHFIJITIY-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1F ZINC000121804603 524368688 /nfs/dbraw/zinc/36/86/88/524368688.db2.gz NODDBVDDJBDHON-NSHDSACASA-N 0 2 370.362 1.910 20 5 FDBDLN COCCCn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000116160471 525108316 /nfs/dbraw/zinc/10/83/16/525108316.db2.gz IPPCDXXOQVATCV-UHFFFAOYSA-N 0 2 354.388 1.937 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164682471 525524571 /nfs/dbraw/zinc/52/45/71/525524571.db2.gz LZWFQRFQYMEXCA-OCCSQVGLSA-N 0 2 359.382 1.916 20 5 FDBDLN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180771217 525753061 /nfs/dbraw/zinc/75/30/61/525753061.db2.gz WBIPNVIAFPHDCH-UHFFFAOYSA-N 0 2 371.353 1.673 20 5 FDBDLN CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263203317 536991650 /nfs/dbraw/zinc/99/16/50/536991650.db2.gz YUAVEDFHIIQZSE-STQMWFEESA-N 0 2 374.353 1.485 20 5 FDBDLN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272637937 537306821 /nfs/dbraw/zinc/30/68/21/537306821.db2.gz WZCYBLOGFOYAPZ-BXKDBHETSA-N 0 2 353.400 1.730 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000278413378 537319898 /nfs/dbraw/zinc/31/98/98/537319898.db2.gz QJRKOTRPTPIDBZ-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN C[C@@H](CONC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000273023468 537381715 /nfs/dbraw/zinc/38/17/15/537381715.db2.gz CNQKIYBVMRQABN-VIFPVBQESA-N 0 2 355.347 1.875 20 5 FDBDLN O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280754349 537456243 /nfs/dbraw/zinc/45/62/43/537456243.db2.gz KXYYSTQUSLANGR-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000416415797 537832555 /nfs/dbraw/zinc/83/25/55/537832555.db2.gz JEMGLSUDTUQKJD-UHFFFAOYSA-N 0 2 370.343 1.689 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000409615561 537867148 /nfs/dbraw/zinc/86/71/48/537867148.db2.gz KNGHARUHVOAPPK-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)c1ccc[nH]1 ZINC000372321516 537921180 /nfs/dbraw/zinc/92/11/80/537921180.db2.gz RNYNPHOJMDQUAW-UHFFFAOYSA-N 0 2 358.354 1.663 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000494472170 538547885 /nfs/dbraw/zinc/54/78/85/538547885.db2.gz INGYAGUAQMFKEZ-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000501100225 538621738 /nfs/dbraw/zinc/62/17/38/538621738.db2.gz OCFYUYYNYBFZQU-UHFFFAOYSA-N 0 2 357.124 1.503 20 5 FDBDLN O=C([O-])c1cnc(N2CCC[N@H+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000567474378 548130735 /nfs/dbraw/zinc/13/07/35/548130735.db2.gz AXPIGNHXEPVJRL-UHFFFAOYSA-N 0 2 363.399 1.857 20 5 FDBDLN O=C([O-])c1cnc(N2CCC[N@@H+](Cc3cscn3)CC2)c([N+](=O)[O-])c1 ZINC000567474378 548130738 /nfs/dbraw/zinc/13/07/38/548130738.db2.gz AXPIGNHXEPVJRL-UHFFFAOYSA-N 0 2 363.399 1.857 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000567978323 548344220 /nfs/dbraw/zinc/34/42/20/548344220.db2.gz AUSYLCVSOFIJEY-UHFFFAOYSA-N 0 2 363.399 1.857 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000567978323 548344228 /nfs/dbraw/zinc/34/42/28/548344228.db2.gz AUSYLCVSOFIJEY-UHFFFAOYSA-N 0 2 363.399 1.857 20 5 FDBDLN Cn1cc(-c2ccc(=NC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)[nH]n2)cn1 ZINC000582586439 551244785 /nfs/dbraw/zinc/24/47/85/551244785.db2.gz CYAIZABUVSMPSK-UHFFFAOYSA-N 0 2 368.309 1.766 20 5 FDBDLN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000584306098 551478284 /nfs/dbraw/zinc/47/82/84/551478284.db2.gz RRMOSAYPKJTAFS-SSDOTTSWSA-N 0 2 369.321 1.832 20 5 FDBDLN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000593850404 552209310 /nfs/dbraw/zinc/20/93/10/552209310.db2.gz HOJRCUKODSYLCO-ZDUSSCGKSA-N 0 2 366.370 1.921 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc(OC(C)C)n1 ZINC000594581938 552337373 /nfs/dbraw/zinc/33/73/73/552337373.db2.gz JWWRTDVUCHWOAO-UHFFFAOYSA-N 0 2 366.399 2.535 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000595885063 552628326 /nfs/dbraw/zinc/62/83/26/552628326.db2.gz FQUBQLGEODDEHC-UHFFFAOYSA-N 0 2 353.375 1.975 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000595885063 552628328 /nfs/dbraw/zinc/62/83/28/552628328.db2.gz FQUBQLGEODDEHC-UHFFFAOYSA-N 0 2 353.375 1.975 20 5 FDBDLN Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595977859 552640802 /nfs/dbraw/zinc/64/08/02/552640802.db2.gz JBMVCEAYHRVWMR-YUTCNCBUSA-N 0 2 358.354 1.418 20 5 FDBDLN CC1(c2nc(=NC(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)s[nH]2)CC1 ZINC000600227952 553232936 /nfs/dbraw/zinc/23/29/36/553232936.db2.gz LSOMLEUGPKGDRL-UHFFFAOYSA-N 0 2 371.382 1.753 20 5 FDBDLN COC(=O)c1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)cc([N+](=O)[O-])c1 ZINC000600228685 553233101 /nfs/dbraw/zinc/23/31/01/553233101.db2.gz QEVBVMIAXYSEHV-UHFFFAOYSA-N 0 2 362.367 1.959 20 5 FDBDLN COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600452071 553270445 /nfs/dbraw/zinc/27/04/45/553270445.db2.gz VOAMFHSIQUMMQA-ZYHUDNBSSA-N 0 2 352.343 1.389 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000600668970 553297295 /nfs/dbraw/zinc/29/72/95/553297295.db2.gz HGKQVSYQUIEFCM-UHFFFAOYSA-N 0 2 365.415 1.956 20 5 FDBDLN CCn1nc(C)cc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600669756 553297615 /nfs/dbraw/zinc/29/76/15/553297615.db2.gz CKMLXQVVJDUZIU-UHFFFAOYSA-N 0 2 368.371 1.692 20 5 FDBDLN O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600680189 553299129 /nfs/dbraw/zinc/29/91/29/553299129.db2.gz DRZZNTFRWCPMGD-OAHLLOKOSA-N 0 2 372.381 1.326 20 5 FDBDLN CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600870877 553323055 /nfs/dbraw/zinc/32/30/55/553323055.db2.gz XZGSSSWHESIZNT-MRXNPFEDSA-N 0 2 360.326 1.096 20 5 FDBDLN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272455304 674446951 /nfs/dbraw/zinc/44/69/51/674446951.db2.gz WVKFGHDWZZFHLW-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN CC(C)[N@H+](CCC(=O)[O-])Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000736468863 600609431 /nfs/dbraw/zinc/60/94/31/600609431.db2.gz ZJLVEFSODKCPEL-UHFFFAOYSA-N 0 2 360.370 1.961 20 5 FDBDLN CC(C)[N@@H+](CCC(=O)[O-])Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O ZINC000736468863 600609432 /nfs/dbraw/zinc/60/94/32/600609432.db2.gz ZJLVEFSODKCPEL-UHFFFAOYSA-N 0 2 360.370 1.961 20 5 FDBDLN O=C([O-])CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000262192114 601326145 /nfs/dbraw/zinc/32/61/45/601326145.db2.gz REBWLRSAUIPSLK-UHFFFAOYSA-N 0 2 374.353 1.534 20 5 FDBDLN O=C([O-])NC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740644556 601963274 /nfs/dbraw/zinc/96/32/74/601963274.db2.gz UQCXYIXAAWXBOD-SECBINFHSA-N 0 2 356.766 1.776 20 5 FDBDLN O=C([O-])NC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740644556 601963276 /nfs/dbraw/zinc/96/32/76/601963276.db2.gz UQCXYIXAAWXBOD-SECBINFHSA-N 0 2 356.766 1.776 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740174622 602539175 /nfs/dbraw/zinc/53/91/75/602539175.db2.gz KFQZVXBWMQUVAN-LBPRGKRZSA-N 0 2 350.375 1.773 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740174622 602539176 /nfs/dbraw/zinc/53/91/76/602539176.db2.gz KFQZVXBWMQUVAN-LBPRGKRZSA-N 0 2 350.375 1.773 20 5 FDBDLN O=C([O-])N1CC[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740723055 603173533 /nfs/dbraw/zinc/17/35/33/603173533.db2.gz UNYNKRJHVDEARH-LLVKDONJSA-N 0 2 360.326 1.937 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739165090 603324393 /nfs/dbraw/zinc/32/43/93/603324393.db2.gz GYGUVXFNNLUTBG-YPMHNXCESA-N 0 2 373.369 1.899 20 5 FDBDLN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273296078 674525556 /nfs/dbraw/zinc/52/55/56/674525556.db2.gz YVWHZYIBMFHCKF-CABZTGNLSA-N 0 2 353.400 1.730 20 5 FDBDLN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273296082 674525565 /nfs/dbraw/zinc/52/55/65/674525565.db2.gz YVWHZYIBMFHCKF-JOYOIKCWSA-N 0 2 353.400 1.730 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830432211 603581938 /nfs/dbraw/zinc/58/19/38/603581938.db2.gz CDLUUGNSCYBKOF-ZDUSSCGKSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830432211 603581939 /nfs/dbraw/zinc/58/19/39/603581939.db2.gz CDLUUGNSCYBKOF-ZDUSSCGKSA-N 0 2 350.375 1.916 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1-c1nn[nH]n1 ZINC000823648415 607154785 /nfs/dbraw/zinc/15/47/85/607154785.db2.gz WPBFICTVGZMNGK-UHFFFAOYSA-N 0 2 364.318 1.715 20 5 FDBDLN Cc1nn(Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)c(-c2nn[nH]n2)c1C ZINC000826334599 609449464 /nfs/dbraw/zinc/44/94/64/609449464.db2.gz BGDSHEKWCQEPJC-UHFFFAOYSA-N 0 2 361.749 1.650 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)C[C@H]1C1CCC1 ZINC000413915586 679314056 /nfs/dbraw/zinc/31/40/56/679314056.db2.gz AUEIULOUIXIVFX-ZDUSSCGKSA-N 0 2 354.384 1.340 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000414317377 679338408 /nfs/dbraw/zinc/33/84/08/679338408.db2.gz JXSSASRKQRWOHZ-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000414382269 679344120 /nfs/dbraw/zinc/34/41/20/679344120.db2.gz OEWYGBHSYZIQGN-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000436822637 681733601 /nfs/dbraw/zinc/73/36/01/681733601.db2.gz WCUMTIUZFCYCDO-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436996628 681753098 /nfs/dbraw/zinc/75/30/98/681753098.db2.gz DMJLZFLFCUZULY-UHFFFAOYSA-N 0 2 368.342 1.643 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000438375409 681857502 /nfs/dbraw/zinc/85/75/02/681857502.db2.gz HGOBCMKOUABIRQ-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469638116 684979784 /nfs/dbraw/zinc/97/97/84/684979784.db2.gz UJPYPSXYUBRMDE-UHFFFAOYSA-N 0 2 350.352 1.504 20 5 FDBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n[nH]1 ZINC000486605395 686916845 /nfs/dbraw/zinc/91/68/45/686916845.db2.gz PBQUKCRSUFCEFX-DTWKUNHWSA-N 0 2 371.423 1.482 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccnc2N(C)C)c([N+](=O)[O-])c1 ZINC000525870491 694638043 /nfs/dbraw/zinc/63/80/43/694638043.db2.gz RAKWTKDRPUMMNM-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(C(=O)OCCOCCNC(=O)C(F)(F)F)c1 ZINC000782646871 785832858 /nfs/dbraw/zinc/83/28/58/785832858.db2.gz UQMRCONAXWNCIG-UHFFFAOYSA-N 0 2 364.276 1.755 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)N[C@H]3C[C@@H](CNC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000978797217 805790063 /nfs/dbraw/zinc/79/00/63/805790063.db2.gz YOYINZJUGOKURD-NDPMZMCLSA-N 0 2 371.397 1.161 20 5 FDBDLN CCOC(=O)c1ccnc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000377414645 791751086 /nfs/dbraw/zinc/75/10/86/791751086.db2.gz YFSBPNPTCGREBD-VIFPVBQESA-N 0 2 362.346 1.374 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000364378398 795855615 /nfs/dbraw/zinc/85/56/15/795855615.db2.gz KCFFXKWOPAXCFB-GFCCVEGCSA-N 0 2 356.338 1.340 20 5 FDBDLN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436875890 816771066 /nfs/dbraw/zinc/77/10/66/816771066.db2.gz YWICIGHVZCJMDL-UHFFFAOYSA-N 0 2 371.353 1.835 20 5 FDBDLN CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436979034 816827648 /nfs/dbraw/zinc/82/76/48/816827648.db2.gz KBKZCIBXXSDPCX-UHFFFAOYSA-N 0 2 358.354 1.126 20 5 FDBDLN O=c1cc(I)nc(O[C@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001228950947 832602244 /nfs/dbraw/zinc/60/22/44/832602244.db2.gz QPYYFVKPJYLTNZ-ZCFIWIBFSA-N 0 2 351.100 1.221 20 5 FDBDLN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000917363356 883367102 /nfs/dbraw/zinc/36/71/02/883367102.db2.gz YZZHYQDDNJRAPF-UHFFFAOYSA-N 0 2 360.282 1.577 20 5 FDBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000497594815 883402725 /nfs/dbraw/zinc/40/27/25/883402725.db2.gz FAUJTABAXNFGRU-UHFFFAOYSA-N 0 2 371.334 1.911 20 5 FDBDLN CCn1ccnc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001034817068 885152470 /nfs/dbraw/zinc/15/24/70/885152470.db2.gz YNRQJINTYMIUHW-HZPDHXFCSA-N 0 2 357.414 1.474 20 5 FDBDLN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)Nc1cc[nH]n1 ZINC000436985984 887791618 /nfs/dbraw/zinc/79/16/18/887791618.db2.gz DTARMOJQXGXRDQ-LBPRGKRZSA-N 0 2 361.358 1.807 20 5 FDBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cnn1C ZINC000790397108 933537376 /nfs/dbraw/zinc/53/73/76/933537376.db2.gz AITAQMRUAABQGW-UHFFFAOYSA-N 0 2 369.359 1.963 20 5 FDBDLN CC(C)n1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000844836069 948404745 /nfs/dbraw/zinc/40/47/45/948404745.db2.gz ZLUDWQVKABVNAK-UHFFFAOYSA-N 0 2 356.320 1.476 20 5 FDBDLN Cn1nccc1[C@H](O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000857368529 971740291 /nfs/dbraw/zinc/74/02/91/971740291.db2.gz HKJLBKHMQGMWMD-MRXNPFEDSA-N 0 2 360.370 1.620 20 5 FDBDLN COC(=O)c1ccc(N)cc1S(=O)(=O)Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201230088 974974529 /nfs/dbraw/zinc/97/45/29/974974529.db2.gz XNKKMCCKQATMMT-UHFFFAOYSA-N 0 2 367.339 1.470 20 5 FDBDLN C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001592722474 979225497 /nfs/dbraw/zinc/22/54/97/979225497.db2.gz HSCBJKTZFBJCHL-JTQLQIEISA-N 0 2 368.371 1.104 20 5 FDBDLN CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595131540 979554901 /nfs/dbraw/zinc/55/49/01/979554901.db2.gz WVGWZHYDXAZOIB-ZDUSSCGKSA-N 0 2 351.359 1.134 20 5 FDBDLN Cn1nccc1[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC(=O)N1C ZINC000368643830 989002145 /nfs/dbraw/zinc/00/21/45/989002145.db2.gz BGQXEUSMCBYGHZ-BDJLRTHQSA-N 0 2 373.369 1.582 20 5 FDBDLN NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)cn1 ZINC000795344872 1006232714 /nfs/dbraw/zinc/23/27/14/1006232714.db2.gz IWKNUTSVWMXWEC-UHFFFAOYSA-N 0 2 374.737 1.682 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(CC(F)(F)F)n1 ZINC000194997924 178233817 /nfs/dbraw/zinc/23/38/17/178233817.db2.gz IUDISAKJUWKTAA-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN COC(=O)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000510195712 538953483 /nfs/dbraw/zinc/95/34/83/538953483.db2.gz YAPTUHMCFQCILP-CYBMUJFWSA-N 0 2 352.343 1.246 20 5 FDBDLN COCCCn1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000265298519 179334634 /nfs/dbraw/zinc/33/46/34/179334634.db2.gz UGZOILAYNFYFNI-UHFFFAOYSA-N 0 2 370.387 1.637 20 5 FDBDLN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268386216 180068615 /nfs/dbraw/zinc/06/86/15/180068615.db2.gz BPVUZJRCJZGMON-GFCCVEGCSA-N 0 2 371.415 1.234 20 5 FDBDLN Nc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000269728963 180372302 /nfs/dbraw/zinc/37/23/02/180372302.db2.gz XMKGCAMFHZSMNF-SNVBAGLBSA-N 0 2 353.360 1.136 20 5 FDBDLN COc1ccccc1[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000533554081 540264470 /nfs/dbraw/zinc/26/44/70/540264470.db2.gz LZTCLPWNXVUIBW-LBPRGKRZSA-N 0 2 370.358 1.754 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(N)=O)nc1 ZINC000537838064 540781657 /nfs/dbraw/zinc/78/16/57/540781657.db2.gz ZETCAELOFRJWHZ-UHFFFAOYSA-N 0 2 350.356 1.506 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000541923811 541299438 /nfs/dbraw/zinc/29/94/38/541299438.db2.gz JRSKDMRXCNVHKF-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CC1CCN(C(=O)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC1 ZINC000283058933 182099730 /nfs/dbraw/zinc/09/97/30/182099730.db2.gz WLGXCTYUPNWBHM-UHFFFAOYSA-N 0 2 358.358 1.577 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000283720354 182258972 /nfs/dbraw/zinc/25/89/72/182258972.db2.gz VBSLZCZLDUAHEO-XHDPSFHLSA-N 0 2 350.371 1.598 20 5 FDBDLN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000286449748 183068991 /nfs/dbraw/zinc/06/89/91/183068991.db2.gz RMNVQFNOFSMHHS-ZDUSSCGKSA-N 0 2 362.260 1.868 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000287420921 183288679 /nfs/dbraw/zinc/28/86/79/183288679.db2.gz UDPPRSPMVROWKL-NEPJUHHUSA-N 0 2 371.415 1.138 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000549995475 542985344 /nfs/dbraw/zinc/98/53/44/542985344.db2.gz XMYSTSSRUJIURI-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CN1CC(=O)N(c2cccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)C1=O ZINC000552014265 543404718 /nfs/dbraw/zinc/40/47/18/543404718.db2.gz ARFJRGCAZGGHSA-UHFFFAOYSA-N 0 2 370.321 1.951 20 5 FDBDLN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184684574 258383606 /nfs/dbraw/zinc/38/36/06/258383606.db2.gz OUHOMHHOJOEYPY-CQSZACIVSA-N 0 2 359.338 1.814 20 5 FDBDLN CS(=O)(=O)Nc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000553548127 543656167 /nfs/dbraw/zinc/65/61/67/543656167.db2.gz DYYARUFWQOKVMC-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000364557899 259760272 /nfs/dbraw/zinc/76/02/72/259760272.db2.gz HTFCQFMKFXPLMR-UHFFFAOYSA-N 0 2 366.384 1.946 20 5 FDBDLN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367722865 260081947 /nfs/dbraw/zinc/08/19/47/260081947.db2.gz WOCIVWMVWSAHIQ-ZDUSSCGKSA-N 0 2 362.260 1.868 20 5 FDBDLN CCOC(=O)C1(COC)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000373627444 261025538 /nfs/dbraw/zinc/02/55/38/261025538.db2.gz GKBCDMLVBTVFDA-UHFFFAOYSA-N 0 2 366.370 1.732 20 5 FDBDLN COc1coc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1=O ZINC000409657533 262131924 /nfs/dbraw/zinc/13/19/24/262131924.db2.gz CFNDNFNQLMVOBQ-UHFFFAOYSA-N 0 2 357.282 1.594 20 5 FDBDLN CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014869972 518701179 /nfs/dbraw/zinc/70/11/79/518701179.db2.gz XODUCCLWGQNDIY-UHFFFAOYSA-N 0 2 356.381 1.799 20 5 FDBDLN CCCS(=O)(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031597587 519446081 /nfs/dbraw/zinc/44/60/81/519446081.db2.gz MYZPKPWUXLOTEA-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 ZINC000032097037 519482990 /nfs/dbraw/zinc/48/29/90/519482990.db2.gz DOLADLCWZUTJGU-UHFFFAOYSA-N 0 2 365.367 1.432 20 5 FDBDLN Cc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000047293512 522493609 /nfs/dbraw/zinc/49/36/09/522493609.db2.gz KDOMIEHWOSAYAA-UHFFFAOYSA-N 0 2 357.373 1.379 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000067214135 523358778 /nfs/dbraw/zinc/35/87/78/523358778.db2.gz GHJHAHZSNOCGEE-UHFFFAOYSA-N 0 2 357.373 1.379 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000067890878 523623939 /nfs/dbraw/zinc/62/39/39/523623939.db2.gz LPHAGADJAXJLFJ-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000175016279 524835788 /nfs/dbraw/zinc/83/57/88/524835788.db2.gz ZOPNUSXLOOFTMP-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)oc1C ZINC000106402806 525720322 /nfs/dbraw/zinc/72/03/22/525720322.db2.gz VIKWEDBHVDBZEL-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000184776547 536181888 /nfs/dbraw/zinc/18/18/88/536181888.db2.gz BOKOWLUJEMENEO-CYBMUJFWSA-N 0 2 359.313 1.975 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC000262911141 536936348 /nfs/dbraw/zinc/93/63/48/536936348.db2.gz ITCHDEOKWHJBPX-DGCLKSJQSA-N 0 2 358.354 1.963 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2cnn(C)c2)o1 ZINC000190363938 537168754 /nfs/dbraw/zinc/16/87/54/537168754.db2.gz LOTHZVPKDWDTQA-UHFFFAOYSA-N 0 2 364.343 1.488 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000192213709 537222400 /nfs/dbraw/zinc/22/24/00/537222400.db2.gz JGESGLKPTYCPGB-OAHLLOKOSA-N 0 2 373.340 1.970 20 5 FDBDLN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000285264107 537672844 /nfs/dbraw/zinc/67/28/44/537672844.db2.gz PCQLPNKNXVIDOX-VIFPVBQESA-N 0 2 352.372 1.361 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414332024 537783337 /nfs/dbraw/zinc/78/33/37/537783337.db2.gz GIYMAKXVENUBNI-GFCCVEGCSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414332024 537783342 /nfs/dbraw/zinc/78/33/42/537783342.db2.gz GIYMAKXVENUBNI-GFCCVEGCSA-N 0 2 371.415 1.398 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000376094925 537835092 /nfs/dbraw/zinc/83/50/92/537835092.db2.gz SJZKHCFKPYBTQB-UHFFFAOYSA-N 0 2 357.370 1.863 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2cccnn2)CC1 ZINC000372246767 537905264 /nfs/dbraw/zinc/90/52/64/537905264.db2.gz HDHIDZASCZDLJU-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN CC(C)c1n[nH]c(=NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000432359297 538138837 /nfs/dbraw/zinc/13/88/37/538138837.db2.gz SDGXPZYWLOAAJJ-UHFFFAOYSA-N 0 2 371.444 1.960 20 5 FDBDLN Cn1c2cc(O)c(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2n(C)c1=O ZINC000461625835 538537069 /nfs/dbraw/zinc/53/70/69/538537069.db2.gz KASAFYMNIFLPHK-UHFFFAOYSA-N 0 2 358.310 1.449 20 5 FDBDLN COC(=O)c1nscc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000479969418 538843149 /nfs/dbraw/zinc/84/31/49/538843149.db2.gz NGBOJYZYOCYJQI-UHFFFAOYSA-N 0 2 373.368 1.647 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568006583 548358503 /nfs/dbraw/zinc/35/85/03/548358503.db2.gz JWWPAEWVFVOTBU-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568006583 548358505 /nfs/dbraw/zinc/35/85/05/548358505.db2.gz JWWPAEWVFVOTBU-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000571808722 549770633 /nfs/dbraw/zinc/77/06/33/549770633.db2.gz JKWAWRCVDLLLHP-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN CC(C)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000574159525 550267825 /nfs/dbraw/zinc/26/78/25/550267825.db2.gz LCVAVHBOFHLANB-UHFFFAOYSA-N 0 2 355.416 1.548 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000582967943 551286833 /nfs/dbraw/zinc/28/68/33/551286833.db2.gz CMIBJLVPKMEPBU-LLVKDONJSA-N 0 2 360.370 1.085 20 5 FDBDLN O=C([O-])c1cn([C@@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000583874821 551414536 /nfs/dbraw/zinc/41/45/36/551414536.db2.gz KZVNQRVRLXUUGX-GFCCVEGCSA-N 0 2 354.326 1.884 20 5 FDBDLN CO[C@H](CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000594719765 552363295 /nfs/dbraw/zinc/36/32/95/552363295.db2.gz GBYMDNIWTVCOGN-TVQRCGJNSA-N 0 2 370.387 1.264 20 5 FDBDLN COCc1nccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000594729572 552365673 /nfs/dbraw/zinc/36/56/73/552365673.db2.gz MHOKKNLLXDPLPU-UHFFFAOYSA-N 0 2 352.372 1.949 20 5 FDBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000594775700 552380336 /nfs/dbraw/zinc/38/03/36/552380336.db2.gz GQINOAYAMYMUKC-OIBJUYFYSA-N 0 2 355.294 1.114 20 5 FDBDLN COC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000596023252 552645574 /nfs/dbraw/zinc/64/55/74/552645574.db2.gz VPCUUFHBNVTVLI-UHFFFAOYSA-N 0 2 368.371 1.500 20 5 FDBDLN CCOC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOCC1 ZINC000598494740 552902443 /nfs/dbraw/zinc/90/24/43/552902443.db2.gz QTSNFPBGJRTRGQ-UHFFFAOYSA-N 0 2 352.343 1.533 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000599249698 553002320 /nfs/dbraw/zinc/00/23/20/553002320.db2.gz DZYSHGZYECXRCD-RKDXNWHRSA-N 0 2 370.353 1.975 20 5 FDBDLN C[C@@](NC(=O)Cc1cn2c([nH+]1)CCCC2)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600872631 553323079 /nfs/dbraw/zinc/32/30/79/553323079.db2.gz DKIBOEUCSKIGIN-SFHVURJKSA-N 0 2 372.381 1.786 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c([N+](=O)[O-])c1 ZINC000608927371 554329595 /nfs/dbraw/zinc/32/95/95/554329595.db2.gz IXAAEYZMQZHHHE-UHFFFAOYSA-N 0 2 368.371 1.960 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(C(N)=O)s2)cc1C ZINC000608927833 554329773 /nfs/dbraw/zinc/32/97/73/554329773.db2.gz JUCQKECMQPDQQS-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000616173782 555278133 /nfs/dbraw/zinc/27/81/33/555278133.db2.gz QALHYHXPZZRBDI-CYBMUJFWSA-N 0 2 359.338 1.600 20 5 FDBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000616342909 555293998 /nfs/dbraw/zinc/29/39/98/555293998.db2.gz ZFTCCTMRPJRVFN-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN O=C(Nc1cccc(CN2CCNC(=O)C2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436655925 568253211 /nfs/dbraw/zinc/25/32/11/568253211.db2.gz KPZMDCPWXGOMSU-UHFFFAOYSA-N 0 2 370.365 1.485 20 5 FDBDLN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccsc1 ZINC000738358250 599314606 /nfs/dbraw/zinc/31/46/06/599314606.db2.gz CXWFFGASKTZXCY-UHFFFAOYSA-N 0 2 352.357 1.637 20 5 FDBDLN C[C@@H](Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000736672472 599778404 /nfs/dbraw/zinc/77/84/04/599778404.db2.gz PUTCVQQRQCYHIK-ZJUUUORDSA-N 0 2 368.346 1.722 20 5 FDBDLN C[C@@H]1C[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C(=O)[O-] ZINC000828463838 601817490 /nfs/dbraw/zinc/81/74/90/601817490.db2.gz RMYPEZOEDMTVMK-BXUZGUMPSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@@H]1C[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C(=O)[O-] ZINC000828463838 601817491 /nfs/dbraw/zinc/81/74/91/601817491.db2.gz RMYPEZOEDMTVMK-BXUZGUMPSA-N 0 2 358.354 1.429 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000739683279 602554030 /nfs/dbraw/zinc/55/40/30/602554030.db2.gz HDEWRBMUHJYWPY-UHFFFAOYSA-N 0 2 351.363 1.354 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740152284 602768118 /nfs/dbraw/zinc/76/81/18/602768118.db2.gz JCPOQUBJJULTLA-WCQYABFASA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740152284 602768120 /nfs/dbraw/zinc/76/81/20/602768120.db2.gz JCPOQUBJJULTLA-WCQYABFASA-N 0 2 350.375 1.820 20 5 FDBDLN CN(C(=O)[O-])C1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000737938478 603047919 /nfs/dbraw/zinc/04/79/19/603047919.db2.gz DLKYBWJPTGDHJO-UHFFFAOYSA-N 0 2 360.374 1.885 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CNC(=O)[O-])C1 ZINC000828513392 603510882 /nfs/dbraw/zinc/51/08/82/603510882.db2.gz JTFOQXHQJIFTCL-JTQLQIEISA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CNC(=O)[O-])C1 ZINC000828513392 603510884 /nfs/dbraw/zinc/51/08/84/603510884.db2.gz JTFOQXHQJIFTCL-JTQLQIEISA-N 0 2 356.766 1.272 20 5 FDBDLN CCc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827577535 604409524 /nfs/dbraw/zinc/40/95/24/604409524.db2.gz OZPFQWMPNJFEJV-ZDUSSCGKSA-N 0 2 350.375 1.181 20 5 FDBDLN CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827577535 604409526 /nfs/dbraw/zinc/40/95/26/604409526.db2.gz OZPFQWMPNJFEJV-ZDUSSCGKSA-N 0 2 350.375 1.181 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833410157 604919156 /nfs/dbraw/zinc/91/91/56/604919156.db2.gz AUVIXMIYCCPNGL-GHMZBOCLSA-N 0 2 353.400 1.814 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833410157 604919162 /nfs/dbraw/zinc/91/91/62/604919162.db2.gz AUVIXMIYCCPNGL-GHMZBOCLSA-N 0 2 353.400 1.814 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826451322 609256761 /nfs/dbraw/zinc/25/67/61/609256761.db2.gz AZXRKLGUGCGMNV-CYBMUJFWSA-N 0 2 356.298 1.153 20 5 FDBDLN C[C@](CO)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000326572593 676584406 /nfs/dbraw/zinc/58/44/06/676584406.db2.gz WVOVMUCWRKVBHA-OAHLLOKOSA-N 0 2 354.359 1.920 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000365318327 677356104 /nfs/dbraw/zinc/35/61/04/677356104.db2.gz JAJPWCULBNXSKF-UHFFFAOYSA-N 0 2 371.396 1.933 20 5 FDBDLN Cc1nsc(N2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000377824832 678619108 /nfs/dbraw/zinc/61/91/08/678619108.db2.gz WSIKYWBEJZSWJB-UHFFFAOYSA-N 0 2 363.399 1.813 20 5 FDBDLN CCc1ccc([C@H](COC)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])o1 ZINC000435804987 681637534 /nfs/dbraw/zinc/63/75/34/681637534.db2.gz ACVGPXVAVQBFSN-NSHDSACASA-N 0 2 372.403 1.633 20 5 FDBDLN CNS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436885410 681741418 /nfs/dbraw/zinc/74/14/18/681741418.db2.gz DDMZYWHMWOJEAF-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnc3n2CCC3)cc([N+](=O)[O-])c1 ZINC000437670680 681806202 /nfs/dbraw/zinc/80/62/02/681806202.db2.gz WQZWQCXDCKGADS-UHFFFAOYSA-N 0 2 366.355 1.325 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c(Cl)c1 ZINC000451104994 682818965 /nfs/dbraw/zinc/81/89/65/682818965.db2.gz HSAVRYXHVOTHNO-UHFFFAOYSA-N 0 2 357.779 1.977 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)cccc1[N+](=O)[O-] ZINC000475804335 685645505 /nfs/dbraw/zinc/64/55/05/685645505.db2.gz BGQMPSKRFIPILN-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN Cn1c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nnc1C1CC1 ZINC000463847607 684710525 /nfs/dbraw/zinc/71/05/25/684710525.db2.gz DNGWKIIHQPGRQF-UHFFFAOYSA-N 0 2 355.351 1.218 20 5 FDBDLN COC(=O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000469006700 684942302 /nfs/dbraw/zinc/94/23/02/684942302.db2.gz RWOBVCWOIWNOSH-GFCCVEGCSA-N 0 2 356.381 1.849 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000479116482 685996204 /nfs/dbraw/zinc/99/62/04/685996204.db2.gz SBETWFGLCSVBIB-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n[nH]1 ZINC000486605400 686916880 /nfs/dbraw/zinc/91/68/80/686916880.db2.gz PBQUKCRSUFCEFX-RKDXNWHRSA-N 0 2 371.423 1.482 20 5 FDBDLN CC(=O)Nc1cccnc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000488417681 687042406 /nfs/dbraw/zinc/04/24/06/687042406.db2.gz MDIGVYNXKURBCI-UHFFFAOYSA-N 0 2 350.356 1.890 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000520627793 690342655 /nfs/dbraw/zinc/34/26/55/690342655.db2.gz WZPJLRONRPVZNO-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN CC(C)(C)c1nnc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000531569449 694840872 /nfs/dbraw/zinc/84/08/72/694840872.db2.gz CWEPAYAFJMMKOE-UHFFFAOYSA-N 0 2 357.417 1.617 20 5 FDBDLN CC(C)CN1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCN2C1=O ZINC000436816349 816730829 /nfs/dbraw/zinc/73/08/29/816730829.db2.gz RUFQLKDRLRZCBF-ZDUSSCGKSA-N 0 2 362.386 1.518 20 5 FDBDLN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(O)c1 ZINC000436998741 816849782 /nfs/dbraw/zinc/84/97/82/816849782.db2.gz JLEDWBSJZSRDAI-UHFFFAOYSA-N 0 2 359.338 1.556 20 5 FDBDLN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435741 849574889 /nfs/dbraw/zinc/57/48/89/849574889.db2.gz HJSSPRSORBKBJF-VIFPVBQESA-N 0 2 369.337 1.934 20 5 FDBDLN COCCn1c(=O)cc(O)nc1SCc1cc(F)ccc1[N+](=O)[O-] ZINC000917395343 883370579 /nfs/dbraw/zinc/37/05/79/883370579.db2.gz IBVNAYCGZCUATR-UHFFFAOYSA-N 0 2 355.347 1.935 20 5 FDBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730533434 916955757 /nfs/dbraw/zinc/95/57/57/916955757.db2.gz GVEHHCMGUFVOHS-UHFFFAOYSA-N 0 2 370.369 1.417 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001134814113 941756580 /nfs/dbraw/zinc/75/65/80/941756580.db2.gz PCULVIZCAAYNQL-GHMZBOCLSA-N 0 2 351.363 1.279 20 5 FDBDLN COC(=O)[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC001171015156 945680909 /nfs/dbraw/zinc/68/09/09/945680909.db2.gz MBGRILXWTPYKGR-SECBINFHSA-N 0 2 356.278 1.514 20 5 FDBDLN C[C@@H](C(=O)NOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001573731837 948597029 /nfs/dbraw/zinc/59/70/29/948597029.db2.gz IMFNSNGFHAMEOX-SNVBAGLBSA-N 0 2 354.326 1.989 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000773377252 962157149 /nfs/dbraw/zinc/15/71/49/962157149.db2.gz UQDNUZLKHZZNMX-DOMZBBRYSA-N 0 2 362.338 1.858 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000773377255 962158459 /nfs/dbraw/zinc/15/84/59/962158459.db2.gz UQDNUZLKHZZNMX-WFASDCNBSA-N 0 2 362.338 1.858 20 5 FDBDLN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000775375021 967776139 /nfs/dbraw/zinc/77/61/39/967776139.db2.gz QLEKCZISXNEOEB-GHMZBOCLSA-N 0 2 351.359 1.897 20 5 FDBDLN CC1(C(=O)[O-])CC[NH+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001118177432 969663750 /nfs/dbraw/zinc/66/37/50/969663750.db2.gz RLSIPFULIIJXRK-UHFFFAOYSA-N 0 2 356.400 1.555 20 5 FDBDLN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000860439346 983395440 /nfs/dbraw/zinc/39/54/40/983395440.db2.gz QGJSKDFOAOCCKC-MFKMUULPSA-N 0 2 367.358 1.921 20 5 FDBDLN O=C1OCCN1c1ccc(S(=O)(=O)Nc2cncnc2)cc1[N+](=O)[O-] ZINC000777651410 1001202293 /nfs/dbraw/zinc/20/22/93/1001202293.db2.gz RXNJZEUFLNXTOK-UHFFFAOYSA-N 0 2 365.327 1.142 20 5 FDBDLN Cc1ncc(C(=O)N(C)Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC000963870181 1012866898 /nfs/dbraw/zinc/86/68/98/1012866898.db2.gz YPTQFRGQUWGKHQ-GDBMZVCRSA-N 0 2 371.397 1.272 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccnc2-n2cncn2)c1 ZINC000193884729 178186698 /nfs/dbraw/zinc/18/66/98/178186698.db2.gz NWPPNJGIBQYZSI-UHFFFAOYSA-N 0 2 360.355 1.049 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000194295279 178205567 /nfs/dbraw/zinc/20/55/67/178205567.db2.gz WMGLYOMGRYXGDS-GFCCVEGCSA-N 0 2 357.370 1.858 20 5 FDBDLN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000518769976 539442373 /nfs/dbraw/zinc/44/23/73/539442373.db2.gz KICPJPLHNBFMEQ-UHFFFAOYSA-N 0 2 361.330 1.899 20 5 FDBDLN CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272473573 180744799 /nfs/dbraw/zinc/74/47/99/180744799.db2.gz ZNMBFNVJSMZVRL-GXFFZTMASA-N 0 2 367.427 1.976 20 5 FDBDLN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274583728 181126982 /nfs/dbraw/zinc/12/69/82/181126982.db2.gz AXALAAKMRVIYAI-LLVKDONJSA-N 0 2 371.415 1.234 20 5 FDBDLN CCCN(C)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274633891 181135910 /nfs/dbraw/zinc/13/59/10/181135910.db2.gz CSEZYNOTHHNZIO-GFCCVEGCSA-N 0 2 353.400 1.684 20 5 FDBDLN Cc1ccc(NCCCNC(=O)CSc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000275139386 181247773 /nfs/dbraw/zinc/24/77/73/181247773.db2.gz PCTFHFABGLQVHJ-UHFFFAOYSA-N 0 2 366.403 1.025 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cccc(O)c1)OCCO2 ZINC000534973673 540433317 /nfs/dbraw/zinc/43/33/17/540433317.db2.gz QVOBDZFTYNWYHA-UHFFFAOYSA-N 0 2 352.324 1.872 20 5 FDBDLN C[C@@]1(c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)NC(=O)NC1=O ZINC000537773074 540773137 /nfs/dbraw/zinc/77/31/37/540773137.db2.gz CFKAMBXUZPHKKD-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1-n1cnnn1 ZINC000541032413 541139524 /nfs/dbraw/zinc/13/95/24/541139524.db2.gz WUDJMBOTNGCILM-UHFFFAOYSA-N 0 2 356.298 1.537 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000542216891 541358331 /nfs/dbraw/zinc/35/83/31/541358331.db2.gz WBFVDNSPEWDWOW-UHFFFAOYSA-N 0 2 355.376 1.751 20 5 FDBDLN COCCOc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000542516605 541418644 /nfs/dbraw/zinc/41/86/44/541418644.db2.gz RUEFWODPPQRESG-UHFFFAOYSA-N 0 2 353.356 1.238 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc(OC)cc(OC)n2)c([N+](=O)[O-])c1 ZINC000542711453 541451824 /nfs/dbraw/zinc/45/18/24/541451824.db2.gz JAQYNHCNTGABJS-UHFFFAOYSA-N 0 2 370.343 1.211 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000542939833 541505344 /nfs/dbraw/zinc/50/53/44/541505344.db2.gz SGJSZRNGVFIWQQ-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000286597318 183105803 /nfs/dbraw/zinc/10/58/03/183105803.db2.gz XLNGJDXGFSZEBG-NSHDSACASA-N 0 2 363.292 1.293 20 5 FDBDLN COC(=O)Cc1ccc(N2C[C@H](C)O[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000296682758 184190093 /nfs/dbraw/zinc/19/00/93/184190093.db2.gz BQOABIBSLLCXAD-SJCJKPOMSA-N 0 2 350.371 1.695 20 5 FDBDLN COC(=O)c1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000547795935 542450433 /nfs/dbraw/zinc/45/04/33/542450433.db2.gz KBGBQUDJIBDMQT-UHFFFAOYSA-N 0 2 360.322 1.896 20 5 FDBDLN O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552138843 543423624 /nfs/dbraw/zinc/42/36/24/543423624.db2.gz IAVLUXFAFLKXFF-ZDUSSCGKSA-N 0 2 370.321 1.303 20 5 FDBDLN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000134319698 173322427 /nfs/dbraw/zinc/32/24/27/173322427.db2.gz FVHSOYOBWHMWAE-SWLSCSKDSA-N 0 2 360.370 1.620 20 5 FDBDLN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000134319716 173322648 /nfs/dbraw/zinc/32/26/48/173322648.db2.gz FVHSOYOBWHMWAE-WFASDCNBSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179444657 258351075 /nfs/dbraw/zinc/35/10/75/258351075.db2.gz NDBAGMDMTFAFHX-CQSZACIVSA-N 0 2 359.338 1.814 20 5 FDBDLN CC(C)CN1C[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCN2C1=O ZINC000557043187 544237949 /nfs/dbraw/zinc/23/79/49/544237949.db2.gz BFSOZAKUPSUCMW-LBPRGKRZSA-N 0 2 362.386 1.518 20 5 FDBDLN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000332028996 259235989 /nfs/dbraw/zinc/23/59/89/259235989.db2.gz RIWQNCAHISKNGN-LRDDRELGSA-N 0 2 360.370 1.911 20 5 FDBDLN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367716500 260081213 /nfs/dbraw/zinc/08/12/13/260081213.db2.gz PICKNFMDYUTHQF-GFCCVEGCSA-N 0 2 362.386 1.710 20 5 FDBDLN Cn1cc(-c2ccnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000373371386 261005046 /nfs/dbraw/zinc/00/50/46/261005046.db2.gz YVOQOIHYVHJDMH-UHFFFAOYSA-N 0 2 360.355 1.586 20 5 FDBDLN COCCn1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000271402290 674340737 /nfs/dbraw/zinc/34/07/37/674340737.db2.gz IIBHBDSETIZPOQ-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000011363057 518557139 /nfs/dbraw/zinc/55/71/39/518557139.db2.gz YDMSDSUNKYYSJD-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(N(C)C)=NC1=O ZINC000028757240 519250110 /nfs/dbraw/zinc/25/01/10/519250110.db2.gz VGQDCGINFPJMPR-LLVKDONJSA-N 0 2 352.372 1.492 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)CC1SC(N(C)C)=NC1=O ZINC000028757240 519250116 /nfs/dbraw/zinc/25/01/16/519250116.db2.gz VGQDCGINFPJMPR-LLVKDONJSA-N 0 2 352.372 1.492 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1 ZINC000042714734 521765518 /nfs/dbraw/zinc/76/55/18/521765518.db2.gz QLLKHVAGGKJRLB-ZDUSSCGKSA-N 0 2 352.372 1.771 20 5 FDBDLN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000271577173 674356124 /nfs/dbraw/zinc/35/61/24/674356124.db2.gz RRTLTUMXYIIFCD-JTQLQIEISA-N 0 2 357.388 1.301 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000065859674 522902228 /nfs/dbraw/zinc/90/22/28/522902228.db2.gz AHVFGYWXJOUFQU-UHFFFAOYSA-N 0 2 373.394 1.963 20 5 FDBDLN NC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccc(F)cc1 ZINC000068440433 523788906 /nfs/dbraw/zinc/78/89/06/523788906.db2.gz FTPXABSAFIBEKX-GFCCVEGCSA-N 0 2 361.329 1.514 20 5 FDBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000121716521 524340365 /nfs/dbraw/zinc/34/03/65/524340365.db2.gz ITJQYJZVEFSHIQ-GFCCVEGCSA-N 0 2 370.362 1.910 20 5 FDBDLN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157863389 524354303 /nfs/dbraw/zinc/35/43/03/524354303.db2.gz PUWFXKAUOOVPGA-OAHLLOKOSA-N 0 2 357.366 1.730 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000154524645 525562223 /nfs/dbraw/zinc/56/22/23/525562223.db2.gz POQUXCBYZMTMBI-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128988262 525600361 /nfs/dbraw/zinc/60/03/61/525600361.db2.gz IIAOJYXYNPUOEZ-MRXNPFEDSA-N 0 2 355.350 1.922 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)n1 ZINC000129668560 525679084 /nfs/dbraw/zinc/67/90/84/525679084.db2.gz VRHKEGDPPSXVPF-UHFFFAOYSA-N 0 2 374.806 1.971 20 5 FDBDLN COc1c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)nn1C ZINC000119266216 525688766 /nfs/dbraw/zinc/68/87/66/525688766.db2.gz COXAFXLODLPXSI-UHFFFAOYSA-N 0 2 358.351 1.263 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000133871043 526101665 /nfs/dbraw/zinc/10/16/65/526101665.db2.gz CCDSEIBFELHEKL-UHFFFAOYSA-N 0 2 351.388 1.814 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000186438492 536234539 /nfs/dbraw/zinc/23/45/39/536234539.db2.gz KONOIMHXKJCHBN-UHFFFAOYSA-N 0 2 365.283 1.959 20 5 FDBDLN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000281211513 537514319 /nfs/dbraw/zinc/51/43/19/537514319.db2.gz LRAUGRBRUWNGAP-GFCCVEGCSA-N 0 2 358.354 1.912 20 5 FDBDLN COC(=O)c1cnn(C)c1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414458517 537811916 /nfs/dbraw/zinc/81/19/16/537811916.db2.gz XXDMCPYXBBFAEH-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000560489191 545521183 /nfs/dbraw/zinc/52/11/83/545521183.db2.gz KQWBNFNZXRDHLS-LLVKDONJSA-N 0 2 360.370 1.085 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c(F)c1 ZINC000446959670 538333806 /nfs/dbraw/zinc/33/38/06/538333806.db2.gz LAIYKPXHRKMNBR-VIFPVBQESA-N 0 2 358.307 1.769 20 5 FDBDLN CCn1nccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000471927743 538555254 /nfs/dbraw/zinc/55/52/54/538555254.db2.gz DNXQUPMDJFIZNQ-UHFFFAOYSA-N 0 2 355.376 1.016 20 5 FDBDLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC000467775021 538687500 /nfs/dbraw/zinc/68/75/00/538687500.db2.gz ZDKRDNOUMUPAEA-UHFFFAOYSA-N 0 2 363.355 1.691 20 5 FDBDLN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000561467926 545864521 /nfs/dbraw/zinc/86/45/21/545864521.db2.gz MWPFMFRQDRSHNL-GFCCVEGCSA-N 0 2 363.757 1.780 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594696198 552356612 /nfs/dbraw/zinc/35/66/12/552356612.db2.gz LHBDKQWYESVYRW-IINYFYTJSA-N 0 2 360.388 1.397 20 5 FDBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])n[nH]1 ZINC000594781977 552382823 /nfs/dbraw/zinc/38/28/23/552382823.db2.gz ZAELLVAFHFSBKH-RKDXNWHRSA-N 0 2 354.392 1.661 20 5 FDBDLN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000597609049 552811430 /nfs/dbraw/zinc/81/14/30/552811430.db2.gz CWHLHZKECBTMFG-MRVPVSSYSA-N 0 2 362.298 1.432 20 5 FDBDLN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000597850171 552840551 /nfs/dbraw/zinc/84/05/51/552840551.db2.gz OYCKHQHRTOECQF-MRXNPFEDSA-N 0 2 364.398 1.988 20 5 FDBDLN COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600464170 553272229 /nfs/dbraw/zinc/27/22/29/553272229.db2.gz YTZAFKIKCBPIGE-GWCFXTLKSA-N 0 2 352.343 1.389 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196766 553537547 /nfs/dbraw/zinc/53/75/47/553537547.db2.gz BUPMDMMGZLUZDS-UHFFFAOYSA-N 0 2 356.382 1.696 20 5 FDBDLN CCCS(=O)(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000603642020 553807847 /nfs/dbraw/zinc/80/78/47/553807847.db2.gz MJFHOSOIHPTHIH-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000610796698 554563334 /nfs/dbraw/zinc/56/33/34/554563334.db2.gz ABLAGKDVACOVSC-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000618899339 555692062 /nfs/dbraw/zinc/69/20/62/555692062.db2.gz XGMCASHGWOOKOS-SECBINFHSA-N 0 2 365.367 1.439 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000619466975 555781645 /nfs/dbraw/zinc/78/16/45/555781645.db2.gz HBEUUXGXFGDXML-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN O=C(CSc1n[nH]c(=O)[nH]1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452870524 567875810 /nfs/dbraw/zinc/87/58/10/567875810.db2.gz ZNXSICMRMNDMHD-LLVKDONJSA-N 0 2 363.399 1.917 20 5 FDBDLN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000481465215 567965973 /nfs/dbraw/zinc/96/59/73/567965973.db2.gz KDSTVTZENBKMTH-UHFFFAOYSA-N 0 2 369.337 1.891 20 5 FDBDLN CCc1nn(Cc2c(F)cccc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC000736705980 598642115 /nfs/dbraw/zinc/64/21/15/598642115.db2.gz FGTRJDWHBYQFRZ-UHFFFAOYSA-N 0 2 373.348 1.644 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000739685645 602491335 /nfs/dbraw/zinc/49/13/35/602491335.db2.gz OXPRBJSKXVPCRU-DAXSKMNVSA-N 0 2 362.386 1.362 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737565092 602533073 /nfs/dbraw/zinc/53/30/73/602533073.db2.gz CATJZCYFEPHECY-LLVKDONJSA-N 0 2 350.375 1.996 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000739684795 602871430 /nfs/dbraw/zinc/87/14/30/602871430.db2.gz PPQXPVHSTYMMGV-UHFFFAOYSA-N 0 2 356.810 1.976 20 5 FDBDLN C[N@H+](CCN1CCN(C(=O)[O-])CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000739684795 602871433 /nfs/dbraw/zinc/87/14/33/602871433.db2.gz PPQXPVHSTYMMGV-UHFFFAOYSA-N 0 2 356.810 1.976 20 5 FDBDLN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000739684795 602871434 /nfs/dbraw/zinc/87/14/34/602871434.db2.gz PPQXPVHSTYMMGV-UHFFFAOYSA-N 0 2 356.810 1.976 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](CNC(=O)[O-])C1 ZINC000828507819 604398252 /nfs/dbraw/zinc/39/82/52/604398252.db2.gz TWBZXDIPKXXPGT-LBPRGKRZSA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](CNC(=O)[O-])C1 ZINC000828507819 604398255 /nfs/dbraw/zinc/39/82/55/604398255.db2.gz TWBZXDIPKXXPGT-LBPRGKRZSA-N 0 2 356.766 1.272 20 5 FDBDLN CSc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829760956 604405043 /nfs/dbraw/zinc/40/50/43/604405043.db2.gz SQZRFUSTDAFQJL-LLVKDONJSA-N 0 2 368.415 1.341 20 5 FDBDLN CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829760956 604405046 /nfs/dbraw/zinc/40/50/46/604405046.db2.gz SQZRFUSTDAFQJL-LLVKDONJSA-N 0 2 368.415 1.341 20 5 FDBDLN CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC000833655938 605402591 /nfs/dbraw/zinc/40/25/91/605402591.db2.gz HQKPDPUDJKWFQF-MNOVXSKESA-N 0 2 371.415 1.396 20 5 FDBDLN CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@H]1C ZINC000833655938 605402595 /nfs/dbraw/zinc/40/25/95/605402595.db2.gz HQKPDPUDJKWFQF-MNOVXSKESA-N 0 2 371.415 1.396 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-] ZINC000833907370 606087397 /nfs/dbraw/zinc/08/73/97/606087397.db2.gz HTYXNDHLBMCOMS-GFCCVEGCSA-N 0 2 365.390 1.627 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000833907370 606087400 /nfs/dbraw/zinc/08/74/00/606087400.db2.gz HTYXNDHLBMCOMS-GFCCVEGCSA-N 0 2 365.390 1.627 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000363989052 676983598 /nfs/dbraw/zinc/98/35/98/676983598.db2.gz WFTRQCMFKGMQLU-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000443416642 682294812 /nfs/dbraw/zinc/29/48/12/682294812.db2.gz JESNCIGQORHGRH-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN COC(=O)c1nscc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000480008030 686119103 /nfs/dbraw/zinc/11/91/03/686119103.db2.gz CHMSBKMTMLXFKR-UHFFFAOYSA-N 0 2 373.368 1.647 20 5 FDBDLN COC(=O)Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000516609926 689971270 /nfs/dbraw/zinc/97/12/70/689971270.db2.gz JEOMYRVDITZCHG-UHFFFAOYSA-N 0 2 366.351 1.817 20 5 FDBDLN O=C(c1cccc2[nH]cnc21)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000969723479 770770720 /nfs/dbraw/zinc/77/07/20/770770720.db2.gz VHBDLYXMFDYSPV-NDPMZMCLSA-N 0 2 369.381 1.044 20 5 FDBDLN Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(-n2cncn2)n1 ZINC000376016523 785538298 /nfs/dbraw/zinc/53/82/98/785538298.db2.gz LVMDNFDFXAYPDD-UHFFFAOYSA-N 0 2 354.326 1.515 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnccc2-n2ccnn2)c1C ZINC000377559674 792199784 /nfs/dbraw/zinc/19/97/84/792199784.db2.gz CRPSHNUWPJEFBB-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN NC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436863167 816765052 /nfs/dbraw/zinc/76/50/52/816765052.db2.gz JEMQEMMBZDCIDZ-UHFFFAOYSA-N 0 2 372.337 1.158 20 5 FDBDLN NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC000447673470 828825693 /nfs/dbraw/zinc/82/56/93/828825693.db2.gz UQUCYISLQZKTAX-UHFFFAOYSA-N 0 2 370.365 1.396 20 5 FDBDLN NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2C1 ZINC000447673470 828825703 /nfs/dbraw/zinc/82/57/03/828825703.db2.gz UQUCYISLQZKTAX-UHFFFAOYSA-N 0 2 370.365 1.396 20 5 FDBDLN Cn1nccc1[C@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC(=O)N1C ZINC000490601944 861602922 /nfs/dbraw/zinc/60/29/22/861602922.db2.gz ACZSUMQGXVALTA-MEBBXXQBSA-N 0 2 359.342 1.192 20 5 FDBDLN CC(C)c1nnc(CNCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997770649 909666912 /nfs/dbraw/zinc/66/69/12/909666912.db2.gz WUUGYIVHSWYEDS-CHWSQXEVSA-N 0 2 351.407 1.186 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001195288514 970825963 /nfs/dbraw/zinc/82/59/63/970825963.db2.gz XFIGRERVMOWMSF-LBPRGKRZSA-N 0 2 373.406 1.266 20 5 FDBDLN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000775375022 967777440 /nfs/dbraw/zinc/77/74/40/967777440.db2.gz QLEKCZISXNEOEB-MNOVXSKESA-N 0 2 351.359 1.897 20 5 FDBDLN CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776203948 975118684 /nfs/dbraw/zinc/11/86/84/975118684.db2.gz KFENEJSLQAWVJS-UHFFFAOYSA-N 0 2 365.367 1.851 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000847614500 975915407 /nfs/dbraw/zinc/91/54/07/975915407.db2.gz OHPIEVJVDPFAOC-UHFFFAOYSA-N 0 2 353.331 1.221 20 5 FDBDLN CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C1 ZINC001596438574 984127945 /nfs/dbraw/zinc/12/79/45/984127945.db2.gz KQOWZJNVOWNEFO-JTQLQIEISA-N 0 2 357.388 1.008 20 5 FDBDLN CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@@H](C)C1 ZINC001596438574 984127948 /nfs/dbraw/zinc/12/79/48/984127948.db2.gz KQOWZJNVOWNEFO-JTQLQIEISA-N 0 2 357.388 1.008 20 5 FDBDLN CC(=O)N1CCC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001589072578 985221515 /nfs/dbraw/zinc/22/15/15/985221515.db2.gz IXOWPKVGIVJEDL-UHFFFAOYSA-N 0 2 351.359 1.112 20 5 FDBDLN CC(=O)N1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001589072578 985221521 /nfs/dbraw/zinc/22/15/21/985221521.db2.gz IXOWPKVGIVJEDL-UHFFFAOYSA-N 0 2 351.359 1.112 20 5 FDBDLN CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001599073759 996822203 /nfs/dbraw/zinc/82/22/03/996822203.db2.gz PRMDWXCJWNMFOD-MRXNPFEDSA-N 0 2 360.326 1.096 20 5 FDBDLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000262739011 178788876 /nfs/dbraw/zinc/78/88/76/178788876.db2.gz HZIKSQJVBNBUIF-DOMZBBRYSA-N 0 2 374.353 1.390 20 5 FDBDLN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264526473 179128309 /nfs/dbraw/zinc/12/83/09/179128309.db2.gz DVHOHXRSVRNMJF-WCQYABFASA-N 0 2 365.386 1.304 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000523458423 539609839 /nfs/dbraw/zinc/60/98/39/539609839.db2.gz DBRLJKHVTVLRLC-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274908807 181192089 /nfs/dbraw/zinc/19/20/89/181192089.db2.gz XFFOGRZBFFANAU-ZDUSSCGKSA-N 0 2 367.427 1.978 20 5 FDBDLN CNS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)o1 ZINC000534068209 540320683 /nfs/dbraw/zinc/32/06/83/540320683.db2.gz BZPBKEPDWMNANP-UHFFFAOYSA-N 0 2 355.328 1.362 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000538347385 540844974 /nfs/dbraw/zinc/84/49/74/540844974.db2.gz OVJZOEDOGOTPDO-UHFFFAOYSA-N 0 2 350.352 1.634 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539922275 541007848 /nfs/dbraw/zinc/00/78/48/541007848.db2.gz FQEHTGDVOJXTNR-UHFFFAOYSA-N 0 2 368.353 1.987 20 5 FDBDLN C[C@@H]1CCCN(C(=O)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000283009231 182089310 /nfs/dbraw/zinc/08/93/10/182089310.db2.gz RSFTVEQBSUISIM-SNVBAGLBSA-N 0 2 358.358 1.577 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccccc2S(N)(=O)=O)ccc1[N+](=O)[O-] ZINC000545244418 541913811 /nfs/dbraw/zinc/91/38/11/541913811.db2.gz ZOIDJRBOORCSPJ-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH]n1 ZINC000545889178 542040689 /nfs/dbraw/zinc/04/06/89/542040689.db2.gz SJRLZGFHVDHHRL-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000287688959 183356538 /nfs/dbraw/zinc/35/65/38/183356538.db2.gz JTQZXKQJVCCXJY-LLVKDONJSA-N 0 2 351.359 1.993 20 5 FDBDLN CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000546974180 542268345 /nfs/dbraw/zinc/26/83/45/542268345.db2.gz SFVNQCYWFIVQMO-UHFFFAOYSA-N 0 2 351.340 1.903 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C(=O)OC)cnn1C ZINC000295165434 184040202 /nfs/dbraw/zinc/04/02/02/184040202.db2.gz FJCGEPFBPDPMBK-UHFFFAOYSA-N 0 2 368.371 1.478 20 5 FDBDLN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549768030 542934740 /nfs/dbraw/zinc/93/47/40/542934740.db2.gz BTLSUNLALOMKNG-SECBINFHSA-N 0 2 356.342 1.920 20 5 FDBDLN CNC(=O)CCOC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000552054621 543411946 /nfs/dbraw/zinc/41/19/46/543411946.db2.gz FRYDCZAFYKTDAL-UHFFFAOYSA-N 0 2 351.359 1.058 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncnc2-n2cccn2)c(F)c1 ZINC000127226689 173068179 /nfs/dbraw/zinc/06/81/79/173068179.db2.gz RFVJBXKEIWWZLP-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184620589 258383052 /nfs/dbraw/zinc/38/30/52/258383052.db2.gz WVTBQODQHQCNGJ-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN CCCc1nnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000278500425 258496246 /nfs/dbraw/zinc/49/62/46/258496246.db2.gz NQRIIFFNGRDXNF-UHFFFAOYSA-N 0 2 370.343 1.502 20 5 FDBDLN NS(=O)(=O)Nc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000555837359 544038575 /nfs/dbraw/zinc/03/85/75/544038575.db2.gz FIYWECKOKUDBSU-UHFFFAOYSA-N 0 2 352.328 1.168 20 5 FDBDLN Cn1cc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2(CO)CCC2)cn1 ZINC000557008648 544233627 /nfs/dbraw/zinc/23/36/27/544233627.db2.gz XYSKCWNAXZKESW-OAHLLOKOSA-N 0 2 360.370 1.668 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000372321804 260846022 /nfs/dbraw/zinc/84/60/22/260846022.db2.gz UAUZFYGKKKHSGM-HNNXBMFYSA-N 0 2 363.370 1.154 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H](n3cc([N+](=O)[O-])cn3)C1)c2=O ZINC000375391535 261328598 /nfs/dbraw/zinc/32/85/98/261328598.db2.gz JKSWFLJEURWJFA-SNVBAGLBSA-N 0 2 371.357 1.256 20 5 FDBDLN CN1C(=S)N=NC1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375611400 261381506 /nfs/dbraw/zinc/38/15/06/261381506.db2.gz KJLLORQFCRKSGX-UHFFFAOYSA-N 0 2 363.399 1.737 20 5 FDBDLN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1-n1nnnc1C ZINC000375707919 261403052 /nfs/dbraw/zinc/40/30/52/261403052.db2.gz ZUBFIUBBPCSBQC-UHFFFAOYSA-N 0 2 370.325 1.845 20 5 FDBDLN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000378609251 262053019 /nfs/dbraw/zinc/05/30/19/262053019.db2.gz PCDWUDVGWPCCBE-LBPRGKRZSA-N 0 2 357.370 1.737 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c([N+](=O)[O-])c1 ZINC000028239311 519228022 /nfs/dbraw/zinc/22/80/22/519228022.db2.gz GXWRQALUTMUVKV-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000042665505 521758755 /nfs/dbraw/zinc/75/87/55/521758755.db2.gz PPRDKNJKZXDVEX-UHFFFAOYSA-N 0 2 356.381 1.799 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000058497040 522267194 /nfs/dbraw/zinc/26/71/94/522267194.db2.gz KGXNDFUEOTZZHL-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000055585634 523829607 /nfs/dbraw/zinc/82/96/07/523829607.db2.gz VEESTSGEFNQDFJ-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(C)n1 ZINC000129654706 525677346 /nfs/dbraw/zinc/67/73/46/525677346.db2.gz BXTJAFSANOTSDK-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CCOC)nn1C ZINC000129680795 525681930 /nfs/dbraw/zinc/68/19/30/525681930.db2.gz BKLFJXVAVGBYHQ-UHFFFAOYSA-N 0 2 368.415 1.880 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1 ZINC000129720728 525684661 /nfs/dbraw/zinc/68/46/61/525684661.db2.gz AGZPIYZIWAYNGR-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1nn(CCC(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000170747400 525699122 /nfs/dbraw/zinc/69/91/22/525699122.db2.gz PNEZWEUAGNMWOP-UHFFFAOYSA-N 0 2 372.341 1.780 20 5 FDBDLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C)n3)cc12 ZINC000180757106 525753221 /nfs/dbraw/zinc/75/32/21/525753221.db2.gz HQVXOXQNOGEQFJ-UHFFFAOYSA-N 0 2 362.371 1.689 20 5 FDBDLN CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])[NH+]1CCOCC1 ZINC000184621503 536169575 /nfs/dbraw/zinc/16/95/75/536169575.db2.gz FNAKNGCZUPMHRJ-AWEZNQCLSA-N 0 2 351.403 1.777 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(Cc2cccc(O)c2)CC1 ZINC000184849785 536187463 /nfs/dbraw/zinc/18/74/63/536187463.db2.gz HNVZACYXVGLZEL-UHFFFAOYSA-N 0 2 357.366 1.964 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000272361497 537272300 /nfs/dbraw/zinc/27/23/00/537272300.db2.gz FKBLRVJZNCYLRY-WFASDCNBSA-N 0 2 362.338 1.858 20 5 FDBDLN COC(=O)CCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000298879656 537352898 /nfs/dbraw/zinc/35/28/98/537352898.db2.gz YBLRUPPYXOLBOM-UHFFFAOYSA-N 0 2 354.287 1.501 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)cc1 ZINC000194997622 537359934 /nfs/dbraw/zinc/35/99/34/537359934.db2.gz RXOIGJLMSLJCEL-UHFFFAOYSA-N 0 2 351.266 1.549 20 5 FDBDLN Cc1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000289905676 537622637 /nfs/dbraw/zinc/62/26/37/537622637.db2.gz PVQCOUOIFCUCIY-YFKPBYRVSA-N 0 2 363.758 1.853 20 5 FDBDLN CCCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1N ZINC000292372516 537730814 /nfs/dbraw/zinc/73/08/14/537730814.db2.gz ZGZBLIKWKRKNHE-UHFFFAOYSA-N 0 2 352.376 1.289 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n(C)n1 ZINC000414438408 537808271 /nfs/dbraw/zinc/80/82/71/537808271.db2.gz DEIUVSXAVDKOBJ-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)[nH]1 ZINC000377484119 537966546 /nfs/dbraw/zinc/96/65/46/537966546.db2.gz IMYYSCQJGLRIQV-FZMZJTMJSA-N 0 2 372.385 1.403 20 5 FDBDLN CCn1nccc1S(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000471950135 538563195 /nfs/dbraw/zinc/56/31/95/538563195.db2.gz BTNXQBOZJSONGD-UHFFFAOYSA-N 0 2 354.344 1.399 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000563538376 546578218 /nfs/dbraw/zinc/57/82/18/546578218.db2.gz SBONRWOSMDYMBP-UHFFFAOYSA-N 0 2 365.777 1.635 20 5 FDBDLN C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565061424 547182654 /nfs/dbraw/zinc/18/26/54/547182654.db2.gz SJXXDVXQKIYNRV-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565061424 547182655 /nfs/dbraw/zinc/18/26/55/547182655.db2.gz SJXXDVXQKIYNRV-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN Cn1cc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2(CO)CCC2)cn1 ZINC000567241328 548046309 /nfs/dbraw/zinc/04/63/09/548046309.db2.gz XCJXWSNYHNEZAE-OAHLLOKOSA-N 0 2 360.370 1.668 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000571729239 549744407 /nfs/dbraw/zinc/74/44/07/549744407.db2.gz YZQSDRLFCOUFGM-UHFFFAOYSA-N 0 2 355.303 1.138 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000571729239 549744410 /nfs/dbraw/zinc/74/44/10/549744410.db2.gz YZQSDRLFCOUFGM-UHFFFAOYSA-N 0 2 355.303 1.138 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(O)(Cc2ccncc2)CC1 ZINC000580200197 550954372 /nfs/dbraw/zinc/95/43/72/550954372.db2.gz METPIXYBOIIOIK-UHFFFAOYSA-N 0 2 357.366 1.905 20 5 FDBDLN NC(=O)c1ccnc(NCc2nnc(COc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000580493750 550987807 /nfs/dbraw/zinc/98/78/07/550987807.db2.gz PHDSOYDAHRBMMM-UHFFFAOYSA-N 0 2 369.341 1.398 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](C)C(=O)Nc1ncccc1O ZINC000588863230 551694603 /nfs/dbraw/zinc/69/46/03/551694603.db2.gz VRRHLWLYQFUJPP-NXEZZACHSA-N 0 2 374.353 1.794 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000589558516 551735873 /nfs/dbraw/zinc/73/58/73/551735873.db2.gz UJXQBONVOAZVHW-UHFFFAOYSA-N 0 2 364.339 1.986 20 5 FDBDLN CNc1nccc(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)c1[N+](=O)[O-] ZINC000590424301 551782803 /nfs/dbraw/zinc/78/28/03/551782803.db2.gz TUKCKDIGCSYCMG-UHFFFAOYSA-N 0 2 369.341 2.078 20 5 FDBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000590597693 551796603 /nfs/dbraw/zinc/79/66/03/551796603.db2.gz QVFHHVKOYNVPEF-UHFFFAOYSA-N 0 2 352.372 1.991 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H](OC)C(C)C)cc([N+](=O)[O-])c1 ZINC000592351995 551983570 /nfs/dbraw/zinc/98/35/70/551983570.db2.gz NBTSOAQPPLKHET-CYBMUJFWSA-N 0 2 360.388 1.794 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cncc(OC(C)C)n2)cc1[N+](=O)[O-] ZINC000594582205 552337486 /nfs/dbraw/zinc/33/74/86/552337486.db2.gz OUAWBJWVQNISBU-UHFFFAOYSA-N 0 2 368.371 1.981 20 5 FDBDLN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCOC1 ZINC000598169895 552871654 /nfs/dbraw/zinc/87/16/54/552871654.db2.gz XLGXGTPXUOWOHY-MRXNPFEDSA-N 0 2 352.343 1.531 20 5 FDBDLN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000600300501 553245798 /nfs/dbraw/zinc/24/57/98/553245798.db2.gz DRDYAPISMKREFE-UHFFFAOYSA-N 0 2 374.340 1.987 20 5 FDBDLN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000609241124 554351947 /nfs/dbraw/zinc/35/19/47/554351947.db2.gz SYERVCCGIUKAPC-UHFFFAOYSA-N 0 2 358.289 1.550 20 5 FDBDLN NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000609680441 554410991 /nfs/dbraw/zinc/41/09/91/554410991.db2.gz RDNYQOZYCOKWKY-UHFFFAOYSA-N 0 2 369.330 1.017 20 5 FDBDLN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N=c1ccc(C2CC2)n[nH]1 ZINC000609693617 554412954 /nfs/dbraw/zinc/41/29/54/554412954.db2.gz GRJVUZYCUHFOFX-UHFFFAOYSA-N 0 2 355.310 1.809 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000610034104 554451234 /nfs/dbraw/zinc/45/12/34/554451234.db2.gz FFQRDPZPWTVHGY-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000610034492 554451730 /nfs/dbraw/zinc/45/17/30/554451730.db2.gz LICKSXUZOOGNHJ-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1S(N)(=O)=O ZINC000611294744 554623828 /nfs/dbraw/zinc/62/38/28/554623828.db2.gz JKXBKQRWJAUIOX-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cc(C(N)=O)n[nH]2)cc1[N+](=O)[O-] ZINC000611497969 554638329 /nfs/dbraw/zinc/63/83/29/554638329.db2.gz UMEGKTLONLOTRI-UHFFFAOYSA-N 0 2 359.751 1.179 20 5 FDBDLN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000616173429 555278058 /nfs/dbraw/zinc/27/80/58/555278058.db2.gz XUMCFCNFYVGICV-CQSZACIVSA-N 0 2 359.338 1.600 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000619467134 555781745 /nfs/dbraw/zinc/78/17/45/555781745.db2.gz PPGOCABOWRDODJ-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000619623002 555811229 /nfs/dbraw/zinc/81/12/29/555811229.db2.gz JAQLYBVCKRIWRU-UHFFFAOYSA-N 0 2 352.328 1.281 20 5 FDBDLN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436611838 568032939 /nfs/dbraw/zinc/03/29/39/568032939.db2.gz YVOUXXYTNULHKZ-GFCCVEGCSA-N 0 2 362.386 1.710 20 5 FDBDLN CCOC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCCOC1 ZINC000436659539 568252941 /nfs/dbraw/zinc/25/29/41/568252941.db2.gz PJHWCCAFJKFOTN-HZMBPMFUSA-N 0 2 352.343 1.389 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000833223409 601889944 /nfs/dbraw/zinc/88/99/44/601889944.db2.gz YGVLQTUOPWAFHY-ZDUSSCGKSA-N 0 2 365.411 1.376 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000833223409 601889945 /nfs/dbraw/zinc/88/99/45/601889945.db2.gz YGVLQTUOPWAFHY-ZDUSSCGKSA-N 0 2 365.411 1.376 20 5 FDBDLN C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1NC(=O)[O-] ZINC000739188005 603051828 /nfs/dbraw/zinc/05/18/28/603051828.db2.gz LHOYHVKDWZIWLQ-WCQYABFASA-N 0 2 360.374 1.789 20 5 FDBDLN C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1NC(=O)[O-] ZINC000739188005 603051833 /nfs/dbraw/zinc/05/18/33/603051833.db2.gz LHOYHVKDWZIWLQ-WCQYABFASA-N 0 2 360.374 1.789 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000273267926 674522833 /nfs/dbraw/zinc/52/28/33/674522833.db2.gz USYYHQOXKUBKIA-LBPRGKRZSA-N 0 2 351.384 1.438 20 5 FDBDLN C[C@@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1NC(=O)[O-] ZINC000739193371 603393388 /nfs/dbraw/zinc/39/33/88/603393388.db2.gz SZQDSIPQGZFNEH-KOLCDFICSA-N 0 2 350.331 1.438 20 5 FDBDLN C[C@@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@@H]1NC(=O)[O-] ZINC000739193371 603393391 /nfs/dbraw/zinc/39/33/91/603393391.db2.gz SZQDSIPQGZFNEH-KOLCDFICSA-N 0 2 350.331 1.438 20 5 FDBDLN O=C([O-])[C@H]1CC12CC[NH+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000833771455 605377498 /nfs/dbraw/zinc/37/74/98/605377498.db2.gz FXWQETONRDPYTD-CQSZACIVSA-N 0 2 368.411 1.555 20 5 FDBDLN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000287820446 675925038 /nfs/dbraw/zinc/92/50/38/675925038.db2.gz QHAFKZCWEQBVKY-LBPRGKRZSA-N 0 2 351.359 1.993 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1F ZINC000133889269 671824108 /nfs/dbraw/zinc/82/41/08/671824108.db2.gz KNCVARLHEIXOAK-UHFFFAOYSA-N 0 2 355.351 1.699 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnccc1-n1ccnn1 ZINC000377567565 678563433 /nfs/dbraw/zinc/56/34/33/678563433.db2.gz POAIMRHJCGWNOW-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cnc1C ZINC000427744332 680982851 /nfs/dbraw/zinc/98/28/51/680982851.db2.gz AJQLZUCGWQKRJN-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CS(=O)(=O)NCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436871302 681740127 /nfs/dbraw/zinc/74/01/27/681740127.db2.gz JXOSHYDEWWMNSZ-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000475790709 685642293 /nfs/dbraw/zinc/64/22/93/685642293.db2.gz AHOMSXLSHMYUBP-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN COCCOCCc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c[nH]1 ZINC000490609612 687147468 /nfs/dbraw/zinc/14/74/68/687147468.db2.gz VLCFCONYNQAAGV-UHFFFAOYSA-N 0 2 350.331 1.481 20 5 FDBDLN Cc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1SCC(N)=O ZINC000504874125 688463769 /nfs/dbraw/zinc/46/37/69/688463769.db2.gz CKPLNBXOVMTGQC-UHFFFAOYSA-N 0 2 368.396 1.895 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000507100479 688613816 /nfs/dbraw/zinc/61/38/16/688613816.db2.gz DVYKQFKZUKQYTE-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CC(C)OCCOC[C@H](O)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000516437428 689949955 /nfs/dbraw/zinc/94/99/55/689949955.db2.gz IUOLNFJGNIDOGS-CYBMUJFWSA-N 0 2 356.375 1.175 20 5 FDBDLN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2[N+](=O)[O-])C1 ZINC000479749422 783191420 /nfs/dbraw/zinc/19/14/20/783191420.db2.gz UAHKAZUOMXUUPD-QWRGUYRKSA-N 0 2 374.401 1.831 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)c2ccncc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000364378399 795855242 /nfs/dbraw/zinc/85/52/42/795855242.db2.gz KCFFXKWOPAXCFB-LBPRGKRZSA-N 0 2 356.338 1.340 20 5 FDBDLN CNC(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436728142 816693090 /nfs/dbraw/zinc/69/30/90/816693090.db2.gz IICILWWASXUEEL-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000734782214 923718119 /nfs/dbraw/zinc/71/81/19/923718119.db2.gz OWVOMZWIJXOENH-UHFFFAOYSA-N 0 2 363.717 1.376 20 5 FDBDLN C[C@@H](C[N+](=O)[O-])OC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000814033762 941527484 /nfs/dbraw/zinc/52/74/84/941527484.db2.gz COJSNDUJHQWNQH-QMMMGPOBSA-N 0 2 374.400 1.104 20 5 FDBDLN COc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000845489671 949374714 /nfs/dbraw/zinc/37/47/14/949374714.db2.gz OQKWOXORVGGZND-SNVBAGLBSA-N 0 2 368.371 1.256 20 5 FDBDLN O=C(OCc1n[nH]c(=O)[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000774920933 964092967 /nfs/dbraw/zinc/09/29/67/964092967.db2.gz GJYGYSMRTJVVCL-UHFFFAOYSA-N 0 2 362.220 1.717 20 5 FDBDLN CCO/C=C\[C@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000848180242 976437189 /nfs/dbraw/zinc/43/71/89/976437189.db2.gz WRHPDBJPJFJHOL-SZZPACECSA-N 0 2 364.276 1.874 20 5 FDBDLN C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC001589378159 986439471 /nfs/dbraw/zinc/43/94/71/986439471.db2.gz CTFKLBKGBIKLAP-MEDUHNTESA-N 0 2 367.427 1.448 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000362319417 988632585 /nfs/dbraw/zinc/63/25/85/988632585.db2.gz QBYSLFLOOBVMDK-UKRRQHHQSA-N 0 2 363.370 1.799 20 5 FDBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001593666881 996053921 /nfs/dbraw/zinc/05/39/21/996053921.db2.gz CSCJCUYCSUVHRV-NOZJJQNGSA-N 0 2 364.383 1.611 20 5 FDBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001593666881 996053923 /nfs/dbraw/zinc/05/39/23/996053923.db2.gz CSCJCUYCSUVHRV-NOZJJQNGSA-N 0 2 364.383 1.611 20 5 FDBDLN C[NH+]1CCN(c2ccc(-c3noc(-c4[nH]cnc4[N+](=O)[O-])n3)cc2)CC1 ZINC001212893090 1007038181 /nfs/dbraw/zinc/03/81/81/1007038181.db2.gz LXEAPPYECDNVCH-UHFFFAOYSA-N 0 2 355.358 1.787 20 5 FDBDLN C[NH+]1CCN(c2ccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)cc2)CC1 ZINC001212893090 1007038207 /nfs/dbraw/zinc/03/82/07/1007038207.db2.gz LXEAPPYECDNVCH-UHFFFAOYSA-N 0 2 355.358 1.787 20 5 FDBDLN NC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000523459045 539609527 /nfs/dbraw/zinc/60/95/27/539609527.db2.gz LJPYDMLCZOSLER-UHFFFAOYSA-N 0 2 362.776 1.604 20 5 FDBDLN O=C(Cn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1)NC1CCCC1 ZINC000275183707 181256306 /nfs/dbraw/zinc/25/63/06/181256306.db2.gz ZIYBVMZKSIXDQJ-UHFFFAOYSA-N 0 2 373.369 1.808 20 5 FDBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)C1CCOCC1 ZINC000536208338 540565974 /nfs/dbraw/zinc/56/59/74/540565974.db2.gz DZGJMUCZPKJFFD-VIFPVBQESA-N 0 2 358.372 1.221 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c[nH]1 ZINC000537651959 540756524 /nfs/dbraw/zinc/75/65/24/540756524.db2.gz LRISUIYDFNBSBH-UHFFFAOYSA-N 0 2 355.328 1.519 20 5 FDBDLN CS(=O)(=O)C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000539489952 540966134 /nfs/dbraw/zinc/96/61/34/540966134.db2.gz NUYWMDRBUFUXEI-CYBMUJFWSA-N 0 2 364.379 1.816 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000539856484 541000783 /nfs/dbraw/zinc/00/07/83/541000783.db2.gz VPWVIYNYCNPCAK-UHFFFAOYSA-N 0 2 369.355 1.657 20 5 FDBDLN CC(C)c1nc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000540894937 541109040 /nfs/dbraw/zinc/10/90/40/541109040.db2.gz QOGKGAOOVVSDPW-UHFFFAOYSA-N 0 2 370.343 1.673 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000541286359 541180610 /nfs/dbraw/zinc/18/06/10/541180610.db2.gz JFWYDFXDDMBRRL-UHFFFAOYSA-N 0 2 355.376 1.751 20 5 FDBDLN CCO[C@@H]1C[C@@](NC(=O)c2cc([N+](=O)[O-])ccc2O)(C(=O)OC)C1(C)C ZINC000275606459 181366140 /nfs/dbraw/zinc/36/61/40/181366140.db2.gz MLWXRIKQLXTRRL-CXAGYDPISA-N 0 2 366.370 1.777 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(CC)nc1C(N)=O ZINC000295192640 184043555 /nfs/dbraw/zinc/04/35/55/184043555.db2.gz LJZBCQNHKFGMSU-UHFFFAOYSA-N 0 2 367.387 1.273 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH]n1 ZINC000547302334 542306223 /nfs/dbraw/zinc/30/62/23/542306223.db2.gz LVJZRJUMGDVRTE-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN CCN1CC[NH+](Cc2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])cc2)CC1 ZINC000548082366 542550263 /nfs/dbraw/zinc/55/02/63/542550263.db2.gz DSKNJQGXDYTDOZ-UHFFFAOYSA-N 0 2 358.402 1.708 20 5 FDBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000137186953 173368821 /nfs/dbraw/zinc/36/88/21/173368821.db2.gz YHGOKJVLGYQWOQ-UHFFFAOYSA-N 0 2 352.372 1.944 20 5 FDBDLN O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000363643860 259635616 /nfs/dbraw/zinc/63/56/16/259635616.db2.gz WAHUDVLOURKRMV-CQSZACIVSA-N 0 2 355.350 1.831 20 5 FDBDLN COc1ccc(-n2cc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])nn2)cc1 ZINC000367713583 260080093 /nfs/dbraw/zinc/08/00/93/260080093.db2.gz UACHCQPTGYXVSY-UHFFFAOYSA-N 0 2 369.337 1.820 20 5 FDBDLN CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000369494569 260377462 /nfs/dbraw/zinc/37/74/62/260377462.db2.gz RPAYZHICCBGDQY-HUUCEWRRSA-N 0 2 350.371 1.693 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2ccncc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000371554099 260725888 /nfs/dbraw/zinc/72/58/88/260725888.db2.gz QGPSADJDYMHGRM-GFCCVEGCSA-N 0 2 356.338 1.340 20 5 FDBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000371750684 260761099 /nfs/dbraw/zinc/76/10/99/260761099.db2.gz KDOCLTVOUZTFFM-UKRRQHHQSA-N 0 2 365.411 1.025 20 5 FDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccncc1 ZINC000376950950 261688022 /nfs/dbraw/zinc/68/80/22/261688022.db2.gz UEZGNQFFEMWZTG-CYBMUJFWSA-N 0 2 356.338 1.939 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000055583521 523829748 /nfs/dbraw/zinc/82/97/48/523829748.db2.gz QTLRZAJBTZDHKT-UHFFFAOYSA-N 0 2 365.367 1.568 20 5 FDBDLN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])NCc1ncccc1F ZINC000156968752 524182896 /nfs/dbraw/zinc/18/28/96/524182896.db2.gz TXPWYUJVTFHTNU-UHFFFAOYSA-N 0 2 366.736 1.829 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000158806645 524530886 /nfs/dbraw/zinc/53/08/86/524530886.db2.gz LNRFQBKKWWOUBN-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000122919676 524643369 /nfs/dbraw/zinc/64/33/69/524643369.db2.gz MARMKTVDGJEAFG-UHFFFAOYSA-N 0 2 374.382 1.808 20 5 FDBDLN C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000179514463 525595014 /nfs/dbraw/zinc/59/50/14/525595014.db2.gz KJDCHDRZMDBJHG-BETUJISGSA-N 0 2 373.413 1.857 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)c(F)c1 ZINC000171156637 525875786 /nfs/dbraw/zinc/87/57/86/525875786.db2.gz LBTGZBNXOUCGAC-JTQLQIEISA-N 0 2 370.362 1.768 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188715701 536933485 /nfs/dbraw/zinc/93/34/85/536933485.db2.gz WRSBQYYOVXKNQO-LLVKDONJSA-N 0 2 353.423 1.188 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188715701 536933489 /nfs/dbraw/zinc/93/34/89/536933489.db2.gz WRSBQYYOVXKNQO-LLVKDONJSA-N 0 2 353.423 1.188 20 5 FDBDLN Cc1ccc(NCCCNS(=O)(=O)NCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000195292620 537390710 /nfs/dbraw/zinc/39/07/10/537390710.db2.gz SUUNLJJLJKUPSQ-UHFFFAOYSA-N 0 2 370.353 1.692 20 5 FDBDLN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271436924 537441672 /nfs/dbraw/zinc/44/16/72/537441672.db2.gz GPWOSWPCZQHVEI-ZDUSSCGKSA-N 0 2 371.415 1.833 20 5 FDBDLN CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000284606277 537451465 /nfs/dbraw/zinc/45/14/65/537451465.db2.gz NQDGZOLQBNITAJ-JSGCOSHPSA-N 0 2 363.370 1.152 20 5 FDBDLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461105330 538503605 /nfs/dbraw/zinc/50/36/05/538503605.db2.gz AXTBESQCDBMJRM-UHFFFAOYSA-N 0 2 366.355 1.180 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000494485990 538550636 /nfs/dbraw/zinc/55/06/36/538550636.db2.gz SUIFSMPCENRETP-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccnc2NC(C)=O)cc1[N+](=O)[O-] ZINC000466961006 538583725 /nfs/dbraw/zinc/58/37/25/538583725.db2.gz FDBDLKVTSIONEW-UHFFFAOYSA-N 0 2 366.355 1.758 20 5 FDBDLN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cccc1N1C(=O)CNC1=O ZINC000560695614 545582119 /nfs/dbraw/zinc/58/21/19/545582119.db2.gz KVGPRISHBDILHD-UHFFFAOYSA-N 0 2 370.321 1.917 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[C@@H](OC)C1 ZINC000565142790 547218481 /nfs/dbraw/zinc/21/84/81/547218481.db2.gz VZHVFFXBGGGKHG-JVLSTEMRSA-N 0 2 366.370 1.777 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncccc2N2CCOCC2)c1 ZINC000566228922 547671145 /nfs/dbraw/zinc/67/11/45/547671145.db2.gz CEMQSPQRUZAVSJ-UHFFFAOYSA-N 0 2 364.383 1.627 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566316643 547709060 /nfs/dbraw/zinc/70/90/60/547709060.db2.gz IICSBFYACDWMCQ-LBPRGKRZSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566316643 547709063 /nfs/dbraw/zinc/70/90/63/547709063.db2.gz IICSBFYACDWMCQ-LBPRGKRZSA-N 0 2 371.415 1.398 20 5 FDBDLN Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2cccc([N+](=O)[O-])c2[O-])cn1 ZINC000566936292 547937058 /nfs/dbraw/zinc/93/70/58/547937058.db2.gz WIKNYUQLIYDNJF-UHFFFAOYSA-N 0 2 370.369 1.573 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000567980437 548344991 /nfs/dbraw/zinc/34/49/91/548344991.db2.gz APBOYYGUKBGNAM-UHFFFAOYSA-N 0 2 373.369 1.840 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCC[C@@H](OC)C1 ZINC000573929997 550233955 /nfs/dbraw/zinc/23/39/55/550233955.db2.gz UWNDFUYVIALABS-IXPVHAAZSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586854966 551625946 /nfs/dbraw/zinc/62/59/46/551625946.db2.gz HNYSUCQPRJMENX-CYBMUJFWSA-N 0 2 370.321 1.814 20 5 FDBDLN O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588842803 551692312 /nfs/dbraw/zinc/69/23/12/551692312.db2.gz DNYZYFURFBGSNK-LLVKDONJSA-N 0 2 361.358 1.325 20 5 FDBDLN O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000588852624 551693301 /nfs/dbraw/zinc/69/33/01/551693301.db2.gz NVBSWCXAWHDQHA-UHFFFAOYSA-N 0 2 357.282 1.545 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)C(=O)Nc1ncccc1O ZINC000588863232 551694558 /nfs/dbraw/zinc/69/45/58/551694558.db2.gz VRRHLWLYQFUJPP-UWVGGRQHSA-N 0 2 374.353 1.794 20 5 FDBDLN COC(=O)C(C)(C)n1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000596020098 552645003 /nfs/dbraw/zinc/64/50/03/552645003.db2.gz BVFLYNGIKZQVIT-UHFFFAOYSA-N 0 2 368.371 1.500 20 5 FDBDLN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000597609646 552811525 /nfs/dbraw/zinc/81/15/25/552811525.db2.gz JELGWQHEBYTJKP-MRVPVSSYSA-N 0 2 368.296 1.910 20 5 FDBDLN CCOC(=O)C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC000598053759 552861565 /nfs/dbraw/zinc/86/15/65/552861565.db2.gz HNFGZXHGDKAJJE-VIFPVBQESA-N 0 2 350.249 1.914 20 5 FDBDLN CCOC(=O)CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000598489166 552901770 /nfs/dbraw/zinc/90/17/70/552901770.db2.gz HMCABVKIFRPVEI-UHFFFAOYSA-N 0 2 352.343 1.533 20 5 FDBDLN COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600464175 553272313 /nfs/dbraw/zinc/27/23/13/553272313.db2.gz YTZAFKIKCBPIGE-ZWNOBZJWSA-N 0 2 352.343 1.389 20 5 FDBDLN CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000600870876 553323052 /nfs/dbraw/zinc/32/30/52/553323052.db2.gz XZGSSSWHESIZNT-INIZCTEOSA-N 0 2 360.326 1.096 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000609657889 554408586 /nfs/dbraw/zinc/40/85/86/554408586.db2.gz YFYBLGMWMTYWFQ-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000609849017 554429001 /nfs/dbraw/zinc/42/90/01/554429001.db2.gz ULOHGDIEXCNOJD-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c[nH]1 ZINC000618906556 555694133 /nfs/dbraw/zinc/69/41/33/555694133.db2.gz MVRMYRYPWZQRIF-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)[nH]n1 ZINC000619467991 555782485 /nfs/dbraw/zinc/78/24/85/555782485.db2.gz QXGSLRUVDUTAGI-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436660293 568253569 /nfs/dbraw/zinc/25/35/69/568253569.db2.gz BTTKFAXYHNXBOH-UHFFFAOYSA-N 0 2 369.333 1.717 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)oc1C ZINC000272208131 674421603 /nfs/dbraw/zinc/42/16/03/674421603.db2.gz ZTGWOFCWQVYKGW-UHFFFAOYSA-N 0 2 355.328 1.772 20 5 FDBDLN C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000739158637 602719540 /nfs/dbraw/zinc/71/95/40/602719540.db2.gz VCGRPDLSGBKHMO-NSHDSACASA-N 0 2 359.342 1.605 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832573246 603573772 /nfs/dbraw/zinc/57/37/72/603573772.db2.gz LKXPXFLPKQZTNG-SNVBAGLBSA-N 0 2 356.766 1.919 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832573246 603573776 /nfs/dbraw/zinc/57/37/76/603573776.db2.gz LKXPXFLPKQZTNG-SNVBAGLBSA-N 0 2 356.766 1.919 20 5 FDBDLN CC(C)[N@H+](CCC(=O)[O-])Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000833497649 604529166 /nfs/dbraw/zinc/52/91/66/604529166.db2.gz KQIIMUCIKMYOQC-UHFFFAOYSA-N 0 2 350.331 1.554 20 5 FDBDLN CC(C)[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000833497649 604529171 /nfs/dbraw/zinc/52/91/71/604529171.db2.gz KQIIMUCIKMYOQC-UHFFFAOYSA-N 0 2 350.331 1.554 20 5 FDBDLN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835293 605364089 /nfs/dbraw/zinc/36/40/89/605364089.db2.gz XHOMZSONQNBNBZ-NEPJUHHUSA-N 0 2 371.415 1.347 20 5 FDBDLN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835293 605364097 /nfs/dbraw/zinc/36/40/97/605364097.db2.gz XHOMZSONQNBNBZ-NEPJUHHUSA-N 0 2 371.415 1.347 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cs1 ZINC000120230220 671686333 /nfs/dbraw/zinc/68/63/33/671686333.db2.gz BFLBUJISWUYSAT-UHFFFAOYSA-N 0 2 352.357 1.637 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)CC(C)(C)OC)c(C)c([N+](=O)[O-])c1 ZINC000414385741 679344787 /nfs/dbraw/zinc/34/47/87/679344787.db2.gz VCOYQZGRARKAFE-UHFFFAOYSA-N 0 2 360.388 1.857 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2nc(C3CC3)ns2)c1 ZINC000426517357 680959569 /nfs/dbraw/zinc/95/95/69/680959569.db2.gz ZLQAAZDSTXVVQF-UHFFFAOYSA-N 0 2 369.428 1.136 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1nccn1C(F)F ZINC000431827425 681136272 /nfs/dbraw/zinc/13/62/72/681136272.db2.gz FNMZZDGLMFZRBD-UHFFFAOYSA-N 0 2 350.278 1.804 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H](O)C(F)F ZINC000435625790 681613352 /nfs/dbraw/zinc/61/33/52/681613352.db2.gz HEZZHQWKTVHWBC-ZETCQYMHSA-N 0 2 365.141 1.806 20 5 FDBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1S(N)(=O)=O ZINC000436867822 681740055 /nfs/dbraw/zinc/74/00/55/681740055.db2.gz DWIJLNDWIUAWMS-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436987631 681751370 /nfs/dbraw/zinc/75/13/70/681751370.db2.gz INYAIFXPYMXCAP-UHFFFAOYSA-N 0 2 364.379 1.976 20 5 FDBDLN CS(=O)(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000469523749 684974684 /nfs/dbraw/zinc/97/46/84/684974684.db2.gz NYMSPQHZQFMZAR-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN COc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)nc1 ZINC000500475693 688088016 /nfs/dbraw/zinc/08/80/16/688088016.db2.gz JJAIYYPJPCHVJC-UHFFFAOYSA-N 0 2 361.339 1.742 20 5 FDBDLN O=C(NCCNS(=O)(=O)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505131450 688478427 /nfs/dbraw/zinc/47/84/27/688478427.db2.gz RVDVRGZDLRSCTG-UHFFFAOYSA-N 0 2 365.367 1.009 20 5 FDBDLN CNS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000505987627 688544319 /nfs/dbraw/zinc/54/43/19/688544319.db2.gz SKTMPMNRHXZEBN-UHFFFAOYSA-N 0 2 371.396 1.200 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375997027 785490677 /nfs/dbraw/zinc/49/06/77/785490677.db2.gz WWZHHQFTBKIOLB-AWEZNQCLSA-N 0 2 369.377 1.874 20 5 FDBDLN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436918870 816793617 /nfs/dbraw/zinc/79/36/17/816793617.db2.gz KVNHFOOWWLJQQA-OAHLLOKOSA-N 0 2 370.365 1.616 20 5 FDBDLN COc1cccc(N2C[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2=O)c1 ZINC000436965497 816811066 /nfs/dbraw/zinc/81/10/66/816811066.db2.gz SJBLKOZKFKEFCS-LLVKDONJSA-N 0 2 371.349 1.844 20 5 FDBDLN O=C(CCNC(=O)OCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000760198211 832031737 /nfs/dbraw/zinc/03/17/37/832031737.db2.gz WGTHQQKXNSFMBC-UHFFFAOYSA-N 0 2 351.237 1.918 20 5 FDBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1C ZINC000765990123 878338526 /nfs/dbraw/zinc/33/85/26/878338526.db2.gz OOCADCUGBDSBDH-UHFFFAOYSA-N 0 2 355.376 1.395 20 5 FDBDLN Cn1nccc1[C@@H]1[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000499070901 886276183 /nfs/dbraw/zinc/27/61/83/886276183.db2.gz LKQZTTYQOHHHDF-BMIGLBTASA-N 0 2 359.342 1.192 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)s1 ZINC000921863344 892191577 /nfs/dbraw/zinc/19/15/77/892191577.db2.gz WBVLGUWXDXYLJY-IMTBSYHQSA-N 0 2 360.335 1.902 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)c(F)c1 ZINC000921864148 892212927 /nfs/dbraw/zinc/21/29/27/892212927.db2.gz ZSSDASFVWVYVDB-RDDDGLTNSA-N 0 2 372.296 1.980 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NN=c1nccc[nH]1 ZINC000743253295 926306289 /nfs/dbraw/zinc/30/62/89/926306289.db2.gz MOPWVEADVCKPOK-UHFFFAOYSA-N 0 2 364.170 1.997 20 5 FDBDLN C[C@@H](CONC(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000807178670 940273638 /nfs/dbraw/zinc/27/36/38/940273638.db2.gz QXWBXNCNIRBPQH-VIFPVBQESA-N 0 2 355.347 1.875 20 5 FDBDLN CC(C)OCCONC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000812805792 941277302 /nfs/dbraw/zinc/27/73/02/941277302.db2.gz AGIKCQRZJCQTSQ-UHFFFAOYSA-N 0 2 357.388 1.259 20 5 FDBDLN Cn1cc(-c2nnc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)o2)cn1 ZINC000775082359 964973550 /nfs/dbraw/zinc/97/35/50/964973550.db2.gz FQWIXVSIMSJBHR-UHFFFAOYSA-N 0 2 356.345 1.241 20 5 FDBDLN C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001594625314 986690368 /nfs/dbraw/zinc/69/03/68/986690368.db2.gz HXEXSAXWCZIIKY-VIFPVBQESA-N 0 2 363.351 1.828 20 5 FDBDLN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])c2ccccc2O1 ZINC000361463197 988388449 /nfs/dbraw/zinc/38/84/49/988388449.db2.gz PCPIBWRFWRHHOP-BJJXKVORSA-N 0 2 361.398 1.751 20 5 FDBDLN CN1CC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)Cc2cccnc21 ZINC001598619424 993971980 /nfs/dbraw/zinc/97/19/80/993971980.db2.gz LEGMSIHWGGKVSP-UHFFFAOYSA-N 0 2 372.381 1.905 20 5 FDBDLN CN1CC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)Cc2cccnc21 ZINC001598619424 993971987 /nfs/dbraw/zinc/97/19/87/993971987.db2.gz LEGMSIHWGGKVSP-UHFFFAOYSA-N 0 2 372.381 1.905 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000777671596 1001360122 /nfs/dbraw/zinc/36/01/22/1001360122.db2.gz WMKUHGDPNMUQTI-UHFFFAOYSA-N 0 2 352.328 1.969 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2c(C)cnn2C)cc([N+](=O)[O-])c1 ZINC000507968300 538924937 /nfs/dbraw/zinc/92/49/37/538924937.db2.gz ROPLKRGNCYTQEX-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN CN(C)c1noc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)n1 ZINC000194455839 178212269 /nfs/dbraw/zinc/21/22/69/178212269.db2.gz GORKFJPSOZAAMZ-LLVKDONJSA-N 0 2 361.358 1.769 20 5 FDBDLN CCc1nn(C)c(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000520819885 539510502 /nfs/dbraw/zinc/51/05/02/539510502.db2.gz PFZXIRBONWVVJI-UHFFFAOYSA-N 0 2 374.401 1.701 20 5 FDBDLN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000270660163 180514041 /nfs/dbraw/zinc/51/40/41/180514041.db2.gz VQMAMJBZXIDSQC-OAHLLOKOSA-N 0 2 360.366 1.950 20 5 FDBDLN O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000274604347 181130435 /nfs/dbraw/zinc/13/04/35/181130435.db2.gz NTQFFEXWNYMTJS-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274695982 181147962 /nfs/dbraw/zinc/14/79/62/181147962.db2.gz OGNMSHLSTKTOEN-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2c(C)nn(C)c2C)cc([N+](=O)[O-])c1 ZINC000274778912 181164566 /nfs/dbraw/zinc/16/45/66/181164566.db2.gz XDMIEHPOQQNCDB-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CN1C(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C1=O ZINC000534207442 540334707 /nfs/dbraw/zinc/33/47/07/540334707.db2.gz SJNWTRVBSIDLDB-UHFFFAOYSA-N 0 2 361.335 1.621 20 5 FDBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cccc1S(N)(=O)=O ZINC000539975362 541015301 /nfs/dbraw/zinc/01/53/01/541015301.db2.gz YTGJYLFBDQECLW-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN CCO[C@H]1C[C@](NC(=O)c2ccc([N+](=O)[O-])cc2O)(C(=O)OC)C1(C)C ZINC000275555506 181350964 /nfs/dbraw/zinc/35/09/64/181350964.db2.gz IHOARQMPZYZLGG-GUYCJALGSA-N 0 2 366.370 1.777 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 ZINC000545181206 541893648 /nfs/dbraw/zinc/89/36/48/541893648.db2.gz PQCGIPXKLOVSME-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN C[C@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)NC(=O)NC1=O ZINC000548122120 542562127 /nfs/dbraw/zinc/56/21/27/542562127.db2.gz BKZMGASTKRFNMH-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000559172682 544601381 /nfs/dbraw/zinc/60/13/81/544601381.db2.gz GFAKSCREDDCAGZ-UHFFFAOYSA-N 0 2 351.340 1.718 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367689573 260078106 /nfs/dbraw/zinc/07/81/06/260078106.db2.gz SUXLLERJMUKKAY-SNVBAGLBSA-N 0 2 361.314 1.882 20 5 FDBDLN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367722864 260082149 /nfs/dbraw/zinc/08/21/49/260082149.db2.gz WOCIVWMVWSAHIQ-CYBMUJFWSA-N 0 2 362.260 1.868 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368413078 260179359 /nfs/dbraw/zinc/17/93/59/260179359.db2.gz PPLMPABWHUWZSK-NSHDSACASA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373570548 261020762 /nfs/dbraw/zinc/02/07/62/261020762.db2.gz ZROCIXYTBOWRIV-NSHDSACASA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000375087768 261266265 /nfs/dbraw/zinc/26/62/65/261266265.db2.gz BBXHLRIGJYSNHU-AWEZNQCLSA-N 0 2 373.340 1.970 20 5 FDBDLN NC(=O)COc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000024430942 518989430 /nfs/dbraw/zinc/98/94/30/518989430.db2.gz FQHNAIWKZLBCRE-UHFFFAOYSA-N 0 2 351.340 1.260 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC000066587291 523122218 /nfs/dbraw/zinc/12/22/18/523122218.db2.gz XVNWPEAGCRZFLA-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 ZINC000055549409 523823570 /nfs/dbraw/zinc/82/35/70/523823570.db2.gz YDBXSGFHZBGBDT-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000055567330 523825983 /nfs/dbraw/zinc/82/59/83/523825983.db2.gz UIVYASAIOQWJNI-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cccnc2-n2cncn2)ccc1[N+](=O)[O-] ZINC000172183520 524148891 /nfs/dbraw/zinc/14/88/91/524148891.db2.gz ZGLVJAFZJLAYFY-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CCOC)n1 ZINC000158796728 524528940 /nfs/dbraw/zinc/52/89/40/524528940.db2.gz YJHOLHNHWPGRGF-UHFFFAOYSA-N 0 2 354.388 1.801 20 5 FDBDLN CN(C)c1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000167876477 525612519 /nfs/dbraw/zinc/61/25/19/525612519.db2.gz SMZGAGFRSRKQIC-UHFFFAOYSA-N 0 2 354.363 1.673 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n(C)n1 ZINC000191779760 537212146 /nfs/dbraw/zinc/21/21/46/537212146.db2.gz PYLPXCRJDOKKTO-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c[nH+]2)CCO1 ZINC000273371764 537438840 /nfs/dbraw/zinc/43/88/40/537438840.db2.gz KYFZISJKXRZEDC-GFCCVEGCSA-N 0 2 372.381 1.851 20 5 FDBDLN O=C(N=c1nc2n([nH]1)CCCC2)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000560451015 545505426 /nfs/dbraw/zinc/50/54/26/545505426.db2.gz FBBFWGNDGNTIJQ-UHFFFAOYSA-N 0 2 369.385 2.368 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000451101197 538186299 /nfs/dbraw/zinc/18/62/99/538186299.db2.gz BDKGFZMRENHMJW-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN COC(=O)C[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccncc1 ZINC000436701656 538412533 /nfs/dbraw/zinc/41/25/33/538412533.db2.gz FBBDAYGSPJQJKQ-QGZVFWFLSA-N 0 2 359.338 1.904 20 5 FDBDLN CNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000494521299 538552895 /nfs/dbraw/zinc/55/28/95/538552895.db2.gz QMXSLRQIGRETNK-UHFFFAOYSA-N 0 2 371.396 1.304 20 5 FDBDLN CNS(=O)(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1C ZINC000560579629 545549103 /nfs/dbraw/zinc/54/91/03/545549103.db2.gz LEPWHQPATLVZGO-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN COc1cc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)ncn1 ZINC000560633190 545562017 /nfs/dbraw/zinc/56/20/17/545562017.db2.gz XSXHFPMPBIBXAT-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN CCOc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905574 538850955 /nfs/dbraw/zinc/85/09/55/538850955.db2.gz KMZNJJSVOPSRSZ-DZGCQCFKSA-N 0 2 364.446 1.984 20 5 FDBDLN C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565061425 547182094 /nfs/dbraw/zinc/18/20/94/547182094.db2.gz SJXXDVXQKIYNRV-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565061425 547182100 /nfs/dbraw/zinc/18/21/00/547182100.db2.gz SJXXDVXQKIYNRV-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000566282366 547692806 /nfs/dbraw/zinc/69/28/06/547692806.db2.gz DUIBDHQIDLHYGU-QMMMGPOBSA-N 0 2 361.314 1.167 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)n1 ZINC000571332492 549608524 /nfs/dbraw/zinc/60/85/24/549608524.db2.gz XVAMENFSFAXQKV-RYUDHWBXSA-N 0 2 350.375 1.296 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)ccc1[N+](=O)[O-] ZINC000575949437 550494235 /nfs/dbraw/zinc/49/42/35/550494235.db2.gz VINLXEJFFNUQJP-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000583413520 551347471 /nfs/dbraw/zinc/34/74/71/551347471.db2.gz GXFBYVYQUBKPCV-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000583413520 551347473 /nfs/dbraw/zinc/34/74/73/551347473.db2.gz GXFBYVYQUBKPCV-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000592903554 552041100 /nfs/dbraw/zinc/04/11/00/552041100.db2.gz VSJBIWKUUCZVOH-CYBMUJFWSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594739862 552367648 /nfs/dbraw/zinc/36/76/48/552367648.db2.gz QICYVVKPMUZMBH-UHFFFAOYSA-N 0 2 364.383 1.841 20 5 FDBDLN CS(=O)(=O)CC1(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CC1 ZINC000596610382 552694176 /nfs/dbraw/zinc/69/41/76/552694176.db2.gz FTNMAYFTUOHBHH-UHFFFAOYSA-N 0 2 353.356 1.718 20 5 FDBDLN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597861957 552842006 /nfs/dbraw/zinc/84/20/06/552842006.db2.gz FCISHSZJTMYVLI-INIZCTEOSA-N 0 2 364.398 1.988 20 5 FDBDLN CCOC(=O)CC1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCOCC1 ZINC000598491109 552901711 /nfs/dbraw/zinc/90/17/11/552901711.db2.gz UHFMWCMICQUIDQ-UHFFFAOYSA-N 0 2 352.343 1.533 20 5 FDBDLN CCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])c2C1 ZINC000600649108 553291374 /nfs/dbraw/zinc/29/13/74/553291374.db2.gz ZFUCKDVTUJGDKE-UHFFFAOYSA-N 0 2 365.415 1.855 20 5 FDBDLN CCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])c2C1 ZINC000600649108 553291376 /nfs/dbraw/zinc/29/13/76/553291376.db2.gz ZFUCKDVTUJGDKE-UHFFFAOYSA-N 0 2 365.415 1.855 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(CCF)c2)cc1[N+](=O)[O-] ZINC000600660199 553294088 /nfs/dbraw/zinc/29/40/88/553294088.db2.gz JZIRJEVOYULCHA-UHFFFAOYSA-N 0 2 362.314 1.709 20 5 FDBDLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600709577 553305444 /nfs/dbraw/zinc/30/54/44/553305444.db2.gz RJOBLGCJWDUYMQ-HNNXBMFYSA-N 0 2 351.315 1.201 20 5 FDBDLN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600709577 553305446 /nfs/dbraw/zinc/30/54/46/553305446.db2.gz RJOBLGCJWDUYMQ-HNNXBMFYSA-N 0 2 351.315 1.201 20 5 FDBDLN COc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])[nH]3)n2)cc1OC ZINC000609879612 554433173 /nfs/dbraw/zinc/43/31/73/554433173.db2.gz JHOUTTLAMCCFJN-UHFFFAOYSA-N 0 2 358.314 1.978 20 5 FDBDLN Cn1cccc1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000611534474 554643073 /nfs/dbraw/zinc/64/30/73/554643073.db2.gz GGWIHKKQMFCWQG-UHFFFAOYSA-N 0 2 358.354 1.237 20 5 FDBDLN COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000619680324 555821030 /nfs/dbraw/zinc/82/10/30/555821030.db2.gz CZNSTJOQVICVMW-AWEZNQCLSA-N 0 2 368.342 1.927 20 5 FDBDLN CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000619867278 555846114 /nfs/dbraw/zinc/84/61/14/555846114.db2.gz PGYJVDUGJYPRHL-UHFFFAOYSA-N 0 2 366.355 1.429 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436629241 568101587 /nfs/dbraw/zinc/10/15/87/568101587.db2.gz ITUPVMQTEVFZIK-GWCFXTLKSA-N 0 2 371.415 1.138 20 5 FDBDLN C[C@]1(c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)NC(=O)NC1=O ZINC000436635215 568202389 /nfs/dbraw/zinc/20/23/89/568202389.db2.gz KTVIKUXLBWLLGU-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN COC(=O)CC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000436710089 568451129 /nfs/dbraw/zinc/45/11/29/568451129.db2.gz YOWGTLNAGFEOTN-UHFFFAOYSA-N 0 2 352.343 1.390 20 5 FDBDLN Cc1cn(C[NH+]2CCC(CC(=O)[O-])CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738330270 600026746 /nfs/dbraw/zinc/02/67/46/600026746.db2.gz HPGIDURZRCTUMF-UHFFFAOYSA-N 0 2 374.397 2.000 20 5 FDBDLN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740640792 601962597 /nfs/dbraw/zinc/96/25/97/601962597.db2.gz BLQQOHQUBWDDSB-VIFPVBQESA-N 0 2 356.766 1.776 20 5 FDBDLN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000740640792 601962598 /nfs/dbraw/zinc/96/25/98/601962598.db2.gz BLQQOHQUBWDDSB-VIFPVBQESA-N 0 2 356.766 1.776 20 5 FDBDLN CN(C(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000739573597 601972567 /nfs/dbraw/zinc/97/25/67/601972567.db2.gz ZFZSACKHDFGIKC-CQSZACIVSA-N 0 2 350.375 1.632 20 5 FDBDLN CN(C(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000739573597 601972570 /nfs/dbraw/zinc/97/25/70/601972570.db2.gz ZFZSACKHDFGIKC-CQSZACIVSA-N 0 2 350.375 1.632 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738631223 601978093 /nfs/dbraw/zinc/97/80/93/601978093.db2.gz MQLYJRHARQDLNY-RISCZKNCSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738631223 601978095 /nfs/dbraw/zinc/97/80/95/601978095.db2.gz MQLYJRHARQDLNY-RISCZKNCSA-N 0 2 350.375 1.996 20 5 FDBDLN CC1(C)CN(C(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000739064691 603065328 /nfs/dbraw/zinc/06/53/28/603065328.db2.gz WCKFOIMOLWMHRB-UHFFFAOYSA-N 0 2 373.369 1.995 20 5 FDBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825640195 603550589 /nfs/dbraw/zinc/55/05/89/603550589.db2.gz YXOXPBMIBMCBFI-LBPRGKRZSA-N 0 2 350.375 1.410 20 5 FDBDLN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825640195 603550592 /nfs/dbraw/zinc/55/05/92/603550592.db2.gz YXOXPBMIBMCBFI-LBPRGKRZSA-N 0 2 350.375 1.410 20 5 FDBDLN C[C@H](C[NH+]1CCN(C)CC1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827460872 604265457 /nfs/dbraw/zinc/26/54/57/604265457.db2.gz DXQJGABGLAQSTN-SNVBAGLBSA-N 0 2 356.810 1.994 20 5 FDBDLN O=C([O-])[C@@H]1CC12CC[NH+](Cn1nc(-c3ccc([N+](=O)[O-])cc3)oc1=O)CC2 ZINC000833771401 604530348 /nfs/dbraw/zinc/53/03/48/604530348.db2.gz DIDYGSMCFGQALT-ZDUSSCGKSA-N 0 2 374.353 1.556 20 5 FDBDLN O=C([O-])[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000833771234 604766455 /nfs/dbraw/zinc/76/64/55/604766455.db2.gz YKTWYGGBGRYRCB-CYBMUJFWSA-N 0 2 360.313 1.854 20 5 FDBDLN C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833586874 605402621 /nfs/dbraw/zinc/40/26/21/605402621.db2.gz HXENJWNNDTVAMS-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833586874 605402625 /nfs/dbraw/zinc/40/26/25/605402625.db2.gz HXENJWNNDTVAMS-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cncc(N2CCCC2)n1 ZINC000278650895 675167426 /nfs/dbraw/zinc/16/74/26/675167426.db2.gz WDZRKYHLCRBTBZ-UHFFFAOYSA-N 0 2 363.399 1.927 20 5 FDBDLN CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436860600 681738958 /nfs/dbraw/zinc/73/89/58/681738958.db2.gz PWTNEYWYJJMJLW-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1[N+](=O)[O-] ZINC000451104251 682818892 /nfs/dbraw/zinc/81/88/92/682818892.db2.gz QKSVMTRSPLSXGC-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1F ZINC000461110721 684563218 /nfs/dbraw/zinc/56/32/18/684563218.db2.gz KHNPMVVBBIFYHL-UHFFFAOYSA-N 0 2 355.303 1.138 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncc(C(N)=O)s2)c1C ZINC000479979809 686072707 /nfs/dbraw/zinc/07/27/07/686072707.db2.gz KUDKFORDRYNRGF-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN O=C(CSCC(=O)N1CCCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483436969 686507146 /nfs/dbraw/zinc/50/71/46/686507146.db2.gz JMONAPBKMUBFAP-UHFFFAOYSA-N 0 2 353.400 1.985 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)oc1C ZINC000484015935 686552689 /nfs/dbraw/zinc/55/26/89/686552689.db2.gz LSOSYHMDBDAZOL-UHFFFAOYSA-N 0 2 355.328 1.869 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)CCOC2)c(F)c1 ZINC000508111295 688710034 /nfs/dbraw/zinc/71/00/34/688710034.db2.gz IHJCCJWIRHRJPC-SNVBAGLBSA-N 0 2 358.269 1.734 20 5 FDBDLN CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2C1 ZINC000277147792 780860110 /nfs/dbraw/zinc/86/01/10/780860110.db2.gz HIMLKEUHKOFJAW-NSHDSACASA-N 0 2 373.369 1.448 20 5 FDBDLN Cc1nc(CN2CCC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)no1 ZINC000375786436 783689158 /nfs/dbraw/zinc/68/91/58/783689158.db2.gz FEZCQSPHSWMIAI-NSHDSACASA-N 0 2 361.358 1.386 20 5 FDBDLN CCOC(=O)C1(COC)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375885116 785217890 /nfs/dbraw/zinc/21/78/90/785217890.db2.gz RKDOBSVLCXFNSE-UHFFFAOYSA-N 0 2 366.370 1.732 20 5 FDBDLN COc1cc(Cl)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776087 792012835 /nfs/dbraw/zinc/01/28/35/792012835.db2.gz WXQZKNNIRIQEMS-SSZWKKLZSA-N 0 2 365.817 1.560 20 5 FDBDLN O=C(Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436893138 816780313 /nfs/dbraw/zinc/78/03/13/816780313.db2.gz OAKLAVRLPVCKDJ-ZDUSSCGKSA-N 0 2 370.321 1.303 20 5 FDBDLN NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2C1 ZINC000447677925 828828358 /nfs/dbraw/zinc/82/83/58/828828358.db2.gz IHXSOLNZTUUDLA-UHFFFAOYSA-N 0 2 370.365 1.396 20 5 FDBDLN NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc2C1 ZINC000447677925 828828364 /nfs/dbraw/zinc/82/83/64/828828364.db2.gz IHXSOLNZTUUDLA-UHFFFAOYSA-N 0 2 370.365 1.396 20 5 FDBDLN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)N=c1nc2n([nH]1)CCCC2 ZINC000459611753 838855603 /nfs/dbraw/zinc/85/56/03/838855603.db2.gz PMHVAHPLTDTPEA-UHFFFAOYSA-N 0 2 368.357 1.401 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnn2cccnc12 ZINC000490361615 861214348 /nfs/dbraw/zinc/21/43/48/861214348.db2.gz FDOHMSXGRURQBH-UHFFFAOYSA-N 0 2 350.298 1.675 20 5 FDBDLN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000484115006 850430789 /nfs/dbraw/zinc/43/07/89/850430789.db2.gz XRDIDFGXGNOSMR-UHFFFAOYSA-N 0 2 357.282 1.996 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)c1 ZINC000916102905 881363604 /nfs/dbraw/zinc/36/36/04/881363604.db2.gz YFSDKEQDMDDZQC-UHFFFAOYSA-N 0 2 366.252 1.852 20 5 FDBDLN Cc1c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cnn1-c1ccccn1 ZINC000742231383 925979094 /nfs/dbraw/zinc/97/90/94/925979094.db2.gz DJMZQUUHLUHEOY-UHFFFAOYSA-N 0 2 374.382 1.867 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nnnn1C1CC1 ZINC000790942057 933810937 /nfs/dbraw/zinc/81/09/37/933810937.db2.gz KNWRQAVATDBAET-SSDOTTSWSA-N 0 2 356.339 1.095 20 5 FDBDLN Cc1nc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])no1 ZINC000815017979 941754153 /nfs/dbraw/zinc/75/41/53/941754153.db2.gz BJBZUUSUQUFOQJ-UHFFFAOYSA-N 0 2 350.715 1.557 20 5 FDBDLN Cc1cc(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000845472016 949328658 /nfs/dbraw/zinc/32/86/58/949328658.db2.gz IZBWZRPFQMTMBT-LLVKDONJSA-N 0 2 352.372 1.556 20 5 FDBDLN C[C@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845491724 949378793 /nfs/dbraw/zinc/37/87/93/949378793.db2.gz BCZYXZRBMOXJHS-GFCCVEGCSA-N 0 2 366.399 1.431 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595488840 981237792 /nfs/dbraw/zinc/23/77/92/981237792.db2.gz RVHHYTBJZXGHJB-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595488840 981237797 /nfs/dbraw/zinc/23/77/97/981237797.db2.gz RVHHYTBJZXGHJB-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@@H]1C ZINC001596436633 984123346 /nfs/dbraw/zinc/12/33/46/984123346.db2.gz XHADMWLGVKHFLV-JTQLQIEISA-N 0 2 357.388 1.008 20 5 FDBDLN CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@@H]1C ZINC001596436633 984123350 /nfs/dbraw/zinc/12/33/50/984123350.db2.gz XHADMWLGVKHFLV-JTQLQIEISA-N 0 2 357.388 1.008 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2nn[nH]n2)cc1 ZINC000826499741 986717058 /nfs/dbraw/zinc/71/70/58/986717058.db2.gz VLBTYUOCBKCVBI-UHFFFAOYSA-N 0 2 364.318 1.715 20 5 FDBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 ZINC000363279948 989058386 /nfs/dbraw/zinc/05/83/86/989058386.db2.gz GTPPHFNUXMVWOS-XPKDYRNWSA-N 0 2 359.382 1.458 20 5 FDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000298783039 990280283 /nfs/dbraw/zinc/28/02/83/990280283.db2.gz AAERZWZFMRCZAN-USWWRNFRSA-N 0 2 361.354 1.803 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)c1C ZINC000371984535 990873306 /nfs/dbraw/zinc/87/33/06/990873306.db2.gz KJPRPMYCGSUJTA-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000796389108 1009931713 /nfs/dbraw/zinc/93/17/13/1009931713.db2.gz XZXZTEVZAVMYHQ-NSHDSACASA-N 0 2 361.276 1.536 20 5 FDBDLN O=C(NC1CC2(C1)CC([NH2+]Cc1nnc(C3CC3)o1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963786068 1012691582 /nfs/dbraw/zinc/69/15/82/1012691582.db2.gz AEXZFHNSGZKMFP-UETSVZEDSA-N 0 2 361.402 1.129 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000508094151 538926671 /nfs/dbraw/zinc/92/66/71/538926671.db2.gz KEMZFAUYJZLCHH-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN CCc1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n(C)n1 ZINC000265344037 179346058 /nfs/dbraw/zinc/34/60/58/179346058.db2.gz ZXQLZZWBXXHAOP-UHFFFAOYSA-N 0 2 368.371 1.463 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000269721892 180371312 /nfs/dbraw/zinc/37/13/12/180371312.db2.gz VAJIHTVQGHRWPT-LLVKDONJSA-N 0 2 368.371 1.562 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)no1 ZINC000275044235 181224625 /nfs/dbraw/zinc/22/46/25/181224625.db2.gz SVDZPYJTTAOTRG-UHFFFAOYSA-N 0 2 369.315 1.044 20 5 FDBDLN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536102499 540552279 /nfs/dbraw/zinc/55/22/79/540552279.db2.gz IIJLWTMIJQSJNB-AWEZNQCLSA-N 0 2 357.366 1.730 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000540587613 541078237 /nfs/dbraw/zinc/07/82/37/541078237.db2.gz PABLIUFDHWOBKX-SECBINFHSA-N 0 2 368.292 1.748 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c([N+](=O)[O-])n1 ZINC000543859373 541673406 /nfs/dbraw/zinc/67/34/06/541673406.db2.gz AJFQOWPXIMVAGS-UHFFFAOYSA-N 0 2 351.388 1.886 20 5 FDBDLN CCOC(=O)c1n[nH]c([C@H](CC(C)C)NC(=O)c2n[nH]cc2[N+](=O)[O-])n1 ZINC000548723449 542763835 /nfs/dbraw/zinc/76/38/35/542763835.db2.gz PRAVZCJFYUYMJE-QMMMGPOBSA-N 0 2 365.350 1.130 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000173373610 258297485 /nfs/dbraw/zinc/29/74/85/258297485.db2.gz FSFFXOQECJYROJ-UHFFFAOYSA-N 0 2 373.340 1.924 20 5 FDBDLN COC(=O)CC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCOCC1 ZINC000552712751 543507213 /nfs/dbraw/zinc/50/72/13/543507213.db2.gz SJVPWAORIAWJLP-UHFFFAOYSA-N 0 2 352.343 1.390 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000278426983 258491488 /nfs/dbraw/zinc/49/14/88/258491488.db2.gz SMBIMFSSXNKMQH-JTQLQIEISA-N 0 2 354.344 1.939 20 5 FDBDLN CS(=O)(=O)c1ccc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000553227647 543591464 /nfs/dbraw/zinc/59/14/64/543591464.db2.gz SQAZXDMRRVVGNS-UHFFFAOYSA-N 0 2 367.387 1.206 20 5 FDBDLN NC(=O)CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000554188755 543757242 /nfs/dbraw/zinc/75/72/42/543757242.db2.gz UQRRMBXWLNTBPX-UHFFFAOYSA-N 0 2 372.337 1.158 20 5 FDBDLN CCCc1n[nH]c(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000555538573 543968563 /nfs/dbraw/zinc/96/85/63/543968563.db2.gz XALOUNIQRIJNRA-QMMMGPOBSA-N 0 2 350.335 1.379 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000555538573 543968566 /nfs/dbraw/zinc/96/85/66/543968566.db2.gz XALOUNIQRIJNRA-QMMMGPOBSA-N 0 2 350.335 1.379 20 5 FDBDLN CCCc1n[nH]c(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000555538573 543968569 /nfs/dbraw/zinc/96/85/69/543968569.db2.gz XALOUNIQRIJNRA-QMMMGPOBSA-N 0 2 350.335 1.379 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)NO[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000299722412 259019474 /nfs/dbraw/zinc/01/94/74/259019474.db2.gz XGIHWQHEKSPJAI-ZDUSSCGKSA-N 0 2 355.372 1.360 20 5 FDBDLN O=C(c1ccco1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000363380073 259584496 /nfs/dbraw/zinc/58/44/96/259584496.db2.gz DAHQWOYYVJVVAR-UHFFFAOYSA-N 0 2 359.338 1.882 20 5 FDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)NC2(CCCC2)C1=O ZINC000367486534 260049797 /nfs/dbraw/zinc/04/97/97/260049797.db2.gz SEKUVLNGEAURBY-SECBINFHSA-N 0 2 362.342 1.492 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000373468721 261013217 /nfs/dbraw/zinc/01/32/17/261013217.db2.gz ZERHLPIXASJPJY-ZDUSSCGKSA-N 0 2 362.363 1.901 20 5 FDBDLN CCOC(=O)C1(COC)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000373618706 261025363 /nfs/dbraw/zinc/02/53/63/261025363.db2.gz MNJTWRPOTRWWBN-UHFFFAOYSA-N 0 2 366.370 1.732 20 5 FDBDLN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000373827483 261045114 /nfs/dbraw/zinc/04/51/14/261045114.db2.gz WIZQXPDCNNEFDF-LBPRGKRZSA-N 0 2 359.313 1.975 20 5 FDBDLN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000378406814 262018662 /nfs/dbraw/zinc/01/86/62/262018662.db2.gz WHAMFVVWRUETGY-AWEZNQCLSA-N 0 2 360.370 1.864 20 5 FDBDLN COC(=O)c1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000484007643 490369749 /nfs/dbraw/zinc/36/97/49/490369749.db2.gz NTLZWKHZTZZGFF-UHFFFAOYSA-N 0 2 352.328 1.281 20 5 FDBDLN O=c1nc(Cn2cc(Br)c([N+](=O)[O-])n2)[nH]c2ccsc21 ZINC000040517395 519643917 /nfs/dbraw/zinc/64/39/17/519643917.db2.gz MHQNGKGRNLKLFG-UHFFFAOYSA-N 0 2 356.161 1.900 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)ccc1[N+](=O)[O-] ZINC000172562069 524240137 /nfs/dbraw/zinc/24/01/37/524240137.db2.gz KNQGZVBWXRCHNI-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000153485020 525226412 /nfs/dbraw/zinc/22/64/12/525226412.db2.gz XXOJJGVMEZZRDG-UHFFFAOYSA-N 0 2 374.744 1.888 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000154272654 525479258 /nfs/dbraw/zinc/47/92/58/525479258.db2.gz WOQMPKFLXZMNNV-UHFFFAOYSA-N 0 2 358.351 1.686 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)c(F)c1 ZINC000171156643 525874388 /nfs/dbraw/zinc/87/43/88/525874388.db2.gz LBTGZBNXOUCGAC-SNVBAGLBSA-N 0 2 370.362 1.768 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000183714122 536034826 /nfs/dbraw/zinc/03/48/26/536034826.db2.gz DQLOFYKLNCYZRC-LBPRGKRZSA-N 0 2 361.320 1.957 20 5 FDBDLN O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185773986 536217363 /nfs/dbraw/zinc/21/73/63/536217363.db2.gz DOKFDHPBKBEDPH-UHFFFAOYSA-N 0 2 369.377 1.828 20 5 FDBDLN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272639069 537309492 /nfs/dbraw/zinc/30/94/92/537309492.db2.gz WZCYBLOGFOYAPZ-JOYOIKCWSA-N 0 2 353.400 1.730 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(N(C)C)ncn1 ZINC000291003580 537502432 /nfs/dbraw/zinc/50/24/32/537502432.db2.gz VKVBFZFLNKOKLB-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N=c1cc[nH][nH]1 ZINC000479645706 538822849 /nfs/dbraw/zinc/82/28/49/538822849.db2.gz QNVPQYJXYMUMNB-NSHDSACASA-N 0 2 361.358 1.807 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000562487176 546153952 /nfs/dbraw/zinc/15/39/52/546153952.db2.gz IBCDFHUMVIIEJO-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1cccc(O)c1[N+](=O)[O-] ZINC000566455821 547768001 /nfs/dbraw/zinc/76/80/01/547768001.db2.gz AMIBYSADGLQVTD-JTQLQIEISA-N 0 2 365.773 1.930 20 5 FDBDLN CC(C)(C[NH+]1CCOCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567957380 548337167 /nfs/dbraw/zinc/33/71/67/548337167.db2.gz AIUFYIZKLOTNCH-UHFFFAOYSA-N 0 2 357.794 1.794 20 5 FDBDLN C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000576346718 550538138 /nfs/dbraw/zinc/53/81/38/550538138.db2.gz NQUFEBSDHADOFE-DZGCQCFKSA-N 0 2 363.414 1.974 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000582698280 551256839 /nfs/dbraw/zinc/25/68/39/551256839.db2.gz BBSPSYNGMWOEIV-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC[N@@H+]2CCOC(C)(C)C2)n1 ZINC000583875056 551414474 /nfs/dbraw/zinc/41/44/74/551414474.db2.gz UZMBMUXFMRJQRI-UHFFFAOYSA-N 0 2 352.391 1.543 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC[N@H+]2CCOC(C)(C)C2)n1 ZINC000583875056 551414475 /nfs/dbraw/zinc/41/44/75/551414475.db2.gz UZMBMUXFMRJQRI-UHFFFAOYSA-N 0 2 352.391 1.543 20 5 FDBDLN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000593850403 552209280 /nfs/dbraw/zinc/20/92/80/552209280.db2.gz HOJRCUKODSYLCO-CYBMUJFWSA-N 0 2 366.370 1.921 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncc(OC(C)C)n1 ZINC000594582391 552337409 /nfs/dbraw/zinc/33/74/09/552337409.db2.gz RQIJGJKHUJIVHG-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FDBDLN CN(C)c1n[nH]c(C2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)n1 ZINC000597622059 552813395 /nfs/dbraw/zinc/81/33/95/552813395.db2.gz RLIWKRVMHHNXKY-UHFFFAOYSA-N 0 2 360.374 1.504 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)c(C)c1[N+](=O)[O-] ZINC000598713503 552927749 /nfs/dbraw/zinc/92/77/49/552927749.db2.gz MUQFDLSKUBWLCU-UHFFFAOYSA-N 0 2 367.387 1.084 20 5 FDBDLN CC(C)COC[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC000599228766 552994287 /nfs/dbraw/zinc/99/42/87/552994287.db2.gz FNEDAXRNKAUVBT-LLVKDONJSA-N 0 2 372.403 1.614 20 5 FDBDLN CCC(CC)c1cc(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])on1 ZINC000599242610 552999476 /nfs/dbraw/zinc/99/94/76/552999476.db2.gz PEJVWJLQMTYJQK-UHFFFAOYSA-N 0 2 357.392 1.698 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000600669486 553297671 /nfs/dbraw/zinc/29/76/71/553297671.db2.gz ORCSEUOAVANKPV-UHFFFAOYSA-N 0 2 365.415 1.956 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000619507506 555792309 /nfs/dbraw/zinc/79/23/09/555792309.db2.gz DVULHPPNXWUCIW-UHFFFAOYSA-N 0 2 355.376 1.751 20 5 FDBDLN Cn1c2cc(O)c(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2n(C)c1=O ZINC000436618372 568058914 /nfs/dbraw/zinc/05/89/14/568058914.db2.gz LBUQWRVACKQHTL-UHFFFAOYSA-N 0 2 358.310 1.449 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2noc(C)n2)cc([N+](=O)[O-])c1C ZINC000481981297 568213378 /nfs/dbraw/zinc/21/33/78/568213378.db2.gz BZPOXONQIUQEMH-UHFFFAOYSA-N 0 2 370.343 1.572 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436668323 568261596 /nfs/dbraw/zinc/26/15/96/568261596.db2.gz BPUCWCVVQDRWFL-UHFFFAOYSA-N 0 2 350.352 1.504 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436682652 568279795 /nfs/dbraw/zinc/27/97/95/568279795.db2.gz VXUHNANASNHREQ-JTQLQIEISA-N 0 2 368.292 1.748 20 5 FDBDLN O=C([O-])NC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740643305 601879576 /nfs/dbraw/zinc/87/95/76/601879576.db2.gz LSVSYZSIHGUAFR-LLVKDONJSA-N 0 2 359.342 1.510 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739873539 602541965 /nfs/dbraw/zinc/54/19/65/602541965.db2.gz ZCWXMNAIBSYVML-LLVKDONJSA-N 0 2 366.374 1.474 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000739873539 602541966 /nfs/dbraw/zinc/54/19/66/602541966.db2.gz ZCWXMNAIBSYVML-LLVKDONJSA-N 0 2 366.374 1.474 20 5 FDBDLN CCCS(=O)(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273278785 674523941 /nfs/dbraw/zinc/52/39/41/674523941.db2.gz WGGARCSZDOZNQF-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830432210 603581834 /nfs/dbraw/zinc/58/18/34/603581834.db2.gz CDLUUGNSCYBKOF-CYBMUJFWSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830432210 603581835 /nfs/dbraw/zinc/58/18/35/603581835.db2.gz CDLUUGNSCYBKOF-CYBMUJFWSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877978 603845036 /nfs/dbraw/zinc/84/50/36/603845036.db2.gz XKUYSUOEAGPHPH-VXGBXAGGSA-N 0 2 350.375 1.914 20 5 FDBDLN Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877978 603845039 /nfs/dbraw/zinc/84/50/39/603845039.db2.gz XKUYSUOEAGPHPH-VXGBXAGGSA-N 0 2 350.375 1.914 20 5 FDBDLN O=C([O-])N1[C@@H]2CC[C@H]1C[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000831485438 603978200 /nfs/dbraw/zinc/97/82/00/603978200.db2.gz RMIMSCLHQMFTFN-HIFRSBDPSA-N 0 2 374.397 1.701 20 5 FDBDLN O=C([O-])N1[C@@H]2CC[C@H]1C[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000831485438 603978202 /nfs/dbraw/zinc/97/82/02/603978202.db2.gz RMIMSCLHQMFTFN-HIFRSBDPSA-N 0 2 374.397 1.701 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccc(-c3nn[nH]n3)nc2)cccc1[N+](=O)[O-] ZINC000826243209 608101411 /nfs/dbraw/zinc/10/14/11/608101411.db2.gz YTTSSEOCVJFZPY-UHFFFAOYSA-N 0 2 361.343 1.279 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278293262 675118087 /nfs/dbraw/zinc/11/80/87/675118087.db2.gz CWEIXCYUCHBKHT-NSHDSACASA-N 0 2 354.344 1.939 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000278355739 675125747 /nfs/dbraw/zinc/12/57/47/675125747.db2.gz JDVOPVVQWLRKBR-UHFFFAOYSA-N 0 2 358.332 1.324 20 5 FDBDLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120068640 671683587 /nfs/dbraw/zinc/68/35/87/671683587.db2.gz GJEMRHBYMRPZKR-UHFFFAOYSA-N 0 2 366.384 1.648 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)cs1 ZINC000120158010 671685183 /nfs/dbraw/zinc/68/51/83/671685183.db2.gz SIDFNTQYLKWLAC-UHFFFAOYSA-N 0 2 352.357 1.433 20 5 FDBDLN O=C(C=c1[nH]c(=O)c(=Cc2cc(O)ccc2[N+](=O)[O-])s1)c1ccco1 ZINC000255123859 672610480 /nfs/dbraw/zinc/61/04/80/672610480.db2.gz LHLPQEKEGAHLMY-UHFFFAOYSA-N 0 2 358.331 1.135 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000266540333 673142879 /nfs/dbraw/zinc/14/28/79/673142879.db2.gz GOFZOZDAEFBCRN-CYBMUJFWSA-N 0 2 358.372 1.692 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000319880821 676559120 /nfs/dbraw/zinc/55/91/20/676559120.db2.gz UNXJGZVLDHPWCT-UHFFFAOYSA-N 0 2 357.369 1.568 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000494503762 687549128 /nfs/dbraw/zinc/54/91/28/687549128.db2.gz PDVPWFZRFYBWOJ-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN COCCOCCc1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c[nH]1 ZINC000499068426 687902007 /nfs/dbraw/zinc/90/20/07/687902007.db2.gz OQCKJCZGRLIWPK-UHFFFAOYSA-N 0 2 350.331 1.481 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000512085323 689584130 /nfs/dbraw/zinc/58/41/30/689584130.db2.gz XFPXWIFTERIIJM-UHFFFAOYSA-N 0 2 362.323 1.302 20 5 FDBDLN CC(C)c1nsc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000531409031 694833838 /nfs/dbraw/zinc/83/38/38/694833838.db2.gz JKVXGGJSYZCLOT-UHFFFAOYSA-N 0 2 371.444 1.382 20 5 FDBDLN Cc1cc(OCC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000514862260 816011042 /nfs/dbraw/zinc/01/10/42/816011042.db2.gz DSDSRYVTRZQZFB-UHFFFAOYSA-N 0 2 361.358 1.512 20 5 FDBDLN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436870670 816769101 /nfs/dbraw/zinc/76/91/01/816769101.db2.gz QXFZQICWWVERNR-LLVKDONJSA-N 0 2 369.333 1.758 20 5 FDBDLN COCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436875631 816771352 /nfs/dbraw/zinc/77/13/52/816771352.db2.gz VHCCAODZUPHREQ-UHFFFAOYSA-N 0 2 359.338 1.929 20 5 FDBDLN COC(=O)CCN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989138 816834331 /nfs/dbraw/zinc/83/43/31/816834331.db2.gz LZXIODUCQATSIW-UHFFFAOYSA-N 0 2 359.338 1.901 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000497509061 883307954 /nfs/dbraw/zinc/30/79/54/883307954.db2.gz JGHPQXCJXURCJB-SNVBAGLBSA-N 0 2 368.292 1.748 20 5 FDBDLN N=C1NC(=O)[C@@H](CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)S1 ZINC000765841559 896748933 /nfs/dbraw/zinc/74/89/33/896748933.db2.gz QGKWDBHYLFLNHS-MFKMUULPSA-N 0 2 366.424 1.725 20 5 FDBDLN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273178143 911177160 /nfs/dbraw/zinc/17/71/60/911177160.db2.gz GDDIWSDUBJIRPC-NWDGAFQWSA-N 0 2 365.386 1.304 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000815046576 941759259 /nfs/dbraw/zinc/75/92/59/941759259.db2.gz YVWJYRZFSYAJHM-SSDOTTSWSA-N 0 2 359.389 1.048 20 5 FDBDLN COCC[N@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036321 941767015 /nfs/dbraw/zinc/76/70/15/941767015.db2.gz UXNRHVCDUITIGM-UHFFFAOYSA-N 0 2 369.802 1.244 20 5 FDBDLN COCCN(C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036321 941767021 /nfs/dbraw/zinc/76/70/21/941767021.db2.gz UXNRHVCDUITIGM-UHFFFAOYSA-N 0 2 369.802 1.244 20 5 FDBDLN O=C(NC[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(F)(F)F ZINC000817489871 942794185 /nfs/dbraw/zinc/79/41/85/942794185.db2.gz HSCFYVVQXCYNKA-HOSYDEDBSA-N 0 2 357.288 1.288 20 5 FDBDLN O=C(NC[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC1[N+](=O)[O-])C(F)(F)F ZINC000817489871 942794188 /nfs/dbraw/zinc/79/41/88/942794188.db2.gz HSCFYVVQXCYNKA-HOSYDEDBSA-N 0 2 357.288 1.288 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000844301057 947962501 /nfs/dbraw/zinc/96/25/01/947962501.db2.gz PUGSEKBLYTYIOT-UHFFFAOYSA-N 0 2 369.399 1.009 20 5 FDBDLN C[C@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1nn(C)cc1O ZINC001179926964 965033164 /nfs/dbraw/zinc/03/31/64/965033164.db2.gz QZOITQOTYAAIQD-NSHDSACASA-N 0 2 370.369 1.770 20 5 FDBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nn(C)cc1O ZINC001179921648 965049252 /nfs/dbraw/zinc/04/92/52/965049252.db2.gz WACKLWMNGYNDNK-SECBINFHSA-N 0 2 366.399 1.609 20 5 FDBDLN C[C@@](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009001 980233689 /nfs/dbraw/zinc/23/36/89/980233689.db2.gz MCMBXKKZUQHZHW-DIFFPNOSSA-N 0 2 358.354 1.470 20 5 FDBDLN Cn1nc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc2c1=O ZINC000302813702 1014709839 /nfs/dbraw/zinc/70/98/39/1014709839.db2.gz ILSHPDXTMSZMQH-UHFFFAOYSA-N 0 2 354.322 1.729 20 5 FDBDLN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc2O1 ZINC000361463200 988388656 /nfs/dbraw/zinc/38/86/56/988388656.db2.gz PCPIBWRFWRHHOP-XPKDYRNWSA-N 0 2 361.398 1.751 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000363982451 989470564 /nfs/dbraw/zinc/47/05/64/989470564.db2.gz AYICYLNMMVXZQS-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(CC[N@@H+]1CCOC[C@]12CCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000193669923 178175161 /nfs/dbraw/zinc/17/51/61/178175161.db2.gz BUGWWDVNGWIFJQ-MRXNPFEDSA-N 0 2 353.350 1.554 20 5 FDBDLN COc1ccc(CNC(=O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000508703794 538936053 /nfs/dbraw/zinc/93/60/53/538936053.db2.gz MLISBRAJGABRPR-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN COC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000514931169 539022379 /nfs/dbraw/zinc/02/23/79/539022379.db2.gz DGBIMIGOTWDHLF-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)n1 ZINC000275015267 181218158 /nfs/dbraw/zinc/21/81/58/181218158.db2.gz ODSNRRHSEFHXFB-UHFFFAOYSA-N 0 2 374.350 1.386 20 5 FDBDLN O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275177975 181255798 /nfs/dbraw/zinc/25/57/98/181255798.db2.gz YJCDTWLBHGXCRO-UHFFFAOYSA-N 0 2 357.388 1.445 20 5 FDBDLN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536102501 540552292 /nfs/dbraw/zinc/55/22/92/540552292.db2.gz IIJLWTMIJQSJNB-CQSZACIVSA-N 0 2 357.366 1.730 20 5 FDBDLN CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccnc1 ZINC000539973489 541014881 /nfs/dbraw/zinc/01/48/81/541014881.db2.gz DGLFDSSRNXSAKI-LRDDRELGSA-N 0 2 356.338 1.854 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000543636850 541625752 /nfs/dbraw/zinc/62/57/52/541625752.db2.gz MPUAJLSGZLVJLY-UHFFFAOYSA-N 0 2 370.343 1.211 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000544404469 541764598 /nfs/dbraw/zinc/76/45/98/541764598.db2.gz VHZQJRYDYAVCSB-UHFFFAOYSA-N 0 2 351.340 1.374 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nccc(C)n2)c([N+](=O)[O-])c1 ZINC000544675445 541806925 /nfs/dbraw/zinc/80/69/25/541806925.db2.gz IAVUMTXOLCINBW-UHFFFAOYSA-N 0 2 352.328 1.281 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000545558118 541999152 /nfs/dbraw/zinc/99/91/52/541999152.db2.gz OYHVIRIIDVXWOT-WDEREUQCSA-N 0 2 371.415 1.315 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000545558118 541999154 /nfs/dbraw/zinc/99/91/54/541999154.db2.gz OYHVIRIIDVXWOT-WDEREUQCSA-N 0 2 371.415 1.315 20 5 FDBDLN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552365719 543457556 /nfs/dbraw/zinc/45/75/56/543457556.db2.gz OVPZZEHLEUNNMB-UHFFFAOYSA-N 0 2 369.333 1.669 20 5 FDBDLN O=C(N=c1ccc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000553635813 543673198 /nfs/dbraw/zinc/67/31/98/543673198.db2.gz VSNXLRNAFJTKKA-UHFFFAOYSA-N 0 2 369.381 2.351 20 5 FDBDLN O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560425786 545004010 /nfs/dbraw/zinc/00/40/10/545004010.db2.gz XEGHKRLTECPFCQ-UHFFFAOYSA-N 0 2 356.294 1.609 20 5 FDBDLN COCCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000299531300 259004190 /nfs/dbraw/zinc/00/41/90/259004190.db2.gz ZJGXJLRZTXGYDS-ZDUSSCGKSA-N 0 2 367.383 1.283 20 5 FDBDLN COCCn1ncc2c1[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000367673103 260075904 /nfs/dbraw/zinc/07/59/04/260075904.db2.gz KZFSZBPMDNQXFD-CQSZACIVSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000368116084 260137211 /nfs/dbraw/zinc/13/72/11/260137211.db2.gz DGGINLQVFCMDPK-INIZCTEOSA-N 0 2 355.350 1.922 20 5 FDBDLN COCc1nc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000368412385 260179153 /nfs/dbraw/zinc/17/91/53/260179153.db2.gz MGYLCIQLXMUCMB-LLVKDONJSA-N 0 2 364.314 1.044 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000373341028 261002875 /nfs/dbraw/zinc/00/28/75/261002875.db2.gz MHWQTSCFNUKTRO-UHFFFAOYSA-N 0 2 371.275 1.653 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2c(nnc2-c2cccnc2)C1 ZINC000375371408 261325017 /nfs/dbraw/zinc/32/50/17/261325017.db2.gz VAEFXLPCNBPKHV-UHFFFAOYSA-N 0 2 366.337 1.610 20 5 FDBDLN O=C([O-])Cn1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1 ZINC000538469983 490735697 /nfs/dbraw/zinc/73/56/97/490735697.db2.gz IPMVGDOOXDTEFN-UHFFFAOYSA-N 0 2 356.298 1.314 20 5 FDBDLN O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031535040 519440894 /nfs/dbraw/zinc/44/08/94/519440894.db2.gz JJDIFPOXQBPJOE-UHFFFAOYSA-N 0 2 356.294 1.609 20 5 FDBDLN NC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccc(F)cc1 ZINC000066051685 522943830 /nfs/dbraw/zinc/94/38/30/522943830.db2.gz FTPXABSAFIBEKX-LBPRGKRZSA-N 0 2 361.329 1.514 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067146716 523336882 /nfs/dbraw/zinc/33/68/82/523336882.db2.gz WBODSVCTKHLZML-LBPRGKRZSA-N 0 2 350.302 1.609 20 5 FDBDLN O=C(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000089318664 524489792 /nfs/dbraw/zinc/48/97/92/524489792.db2.gz HPSJGVSJCLDHKG-HUUCEWRRSA-N 0 2 352.354 1.721 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)cc1 ZINC000171155940 525875418 /nfs/dbraw/zinc/87/54/18/525875418.db2.gz FAFHKWUJMKWCBJ-NSHDSACASA-N 0 2 352.372 1.629 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1[N+](=O)[O-] ZINC000189296465 537023672 /nfs/dbraw/zinc/02/36/72/537023672.db2.gz KFSXKJUYYSYZCD-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CN(C(=O)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000272359923 537269907 /nfs/dbraw/zinc/26/99/07/537269907.db2.gz DZNPYNLXSQOZMV-LBPRGKRZSA-N 0 2 351.384 1.436 20 5 FDBDLN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000363705607 537290556 /nfs/dbraw/zinc/29/05/56/537290556.db2.gz JVYBJGGKQHZSNY-LBPRGKRZSA-N 0 2 357.370 1.737 20 5 FDBDLN O=C1N[C@H](c2ccc(O)c([N+](=O)[O-])c2)Nc2ccc(N3CCOCC3)cc21 ZINC000298787967 537313575 /nfs/dbraw/zinc/31/35/75/537313575.db2.gz QDKXCUKVKWQJED-QGZVFWFLSA-N 0 2 370.365 1.991 20 5 FDBDLN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000376089734 537831493 /nfs/dbraw/zinc/83/14/93/537831493.db2.gz WYHLOFMQIBCOKC-ZDUSSCGKSA-N 0 2 362.260 1.868 20 5 FDBDLN O=C(NCCNS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1O ZINC000437006377 538414610 /nfs/dbraw/zinc/41/46/10/538414610.db2.gz XMKIIBYSGDYYBT-UHFFFAOYSA-N 0 2 371.396 1.070 20 5 FDBDLN O=C(Nc1cccc(CN2CCOCC2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000560609229 545556190 /nfs/dbraw/zinc/55/61/90/545556190.db2.gz HUDHNPLURBNCNP-UHFFFAOYSA-N 0 2 358.354 1.780 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000480495966 538855993 /nfs/dbraw/zinc/85/59/93/538855993.db2.gz RTYCEVOQEZILPI-UHFFFAOYSA-N 0 2 361.236 1.290 20 5 FDBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1Cc1ccncc1 ZINC000567186105 548026526 /nfs/dbraw/zinc/02/65/26/548026526.db2.gz CCWBAJFETOTKNC-UHFFFAOYSA-N 0 2 354.326 1.896 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000568071242 548387390 /nfs/dbraw/zinc/38/73/90/548387390.db2.gz MKFQDOAFFGDKLG-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN COc1ccc(NC(=O)[C@H](C)Sc2n[n-]c(=[NH2+])n2C)c([N+](=O)[O-])c1 ZINC000568531786 548577967 /nfs/dbraw/zinc/57/79/67/548577967.db2.gz OOLFHFWBPDARTJ-ZETCQYMHSA-N 0 2 352.376 1.433 20 5 FDBDLN CC1(C)C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000568987881 548758247 /nfs/dbraw/zinc/75/82/47/548758247.db2.gz LVPXMNPQTILPQN-UHFFFAOYSA-N 0 2 357.794 1.794 20 5 FDBDLN CC1(C)C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000568987881 548758252 /nfs/dbraw/zinc/75/82/52/548758252.db2.gz LVPXMNPQTILPQN-UHFFFAOYSA-N 0 2 357.794 1.794 20 5 FDBDLN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000570182144 549187859 /nfs/dbraw/zinc/18/78/59/549187859.db2.gz BHIWZOHXICGELR-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN CC(C)[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000573254944 550097709 /nfs/dbraw/zinc/09/77/09/550097709.db2.gz DNUIIDAHYOFISM-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN CC[C@@H](C(=O)OC)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000577781957 550694421 /nfs/dbraw/zinc/69/44/21/550694421.db2.gz OQSPUWOQSXWJAK-LBPRGKRZSA-N 0 2 351.359 1.010 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000582911779 551280469 /nfs/dbraw/zinc/28/04/69/551280469.db2.gz RQFMXLYFYAWMLW-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN C[C@H](C(=O)N=c1ccc(-c2cnn(C)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000584152924 551455172 /nfs/dbraw/zinc/45/51/72/551455172.db2.gz ASUKTOLMKGHIEG-NSHDSACASA-N 0 2 352.354 2.528 20 5 FDBDLN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000585700410 551583890 /nfs/dbraw/zinc/58/38/90/551583890.db2.gz HKSYRSOTKXMYOO-UHFFFAOYSA-N 0 2 356.136 1.419 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2cnn(CCOC)c2)cc1[N+](=O)[O-] ZINC000592351412 551983638 /nfs/dbraw/zinc/98/36/38/551983638.db2.gz SPNFALRSALTKDD-UHFFFAOYSA-N 0 2 354.388 1.801 20 5 FDBDLN Cn1cc([C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000593722491 552182925 /nfs/dbraw/zinc/18/29/25/552182925.db2.gz RSQLBRPPGWMTMM-HNNXBMFYSA-N 0 2 360.370 1.668 20 5 FDBDLN CC(C)(C)n1nnc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000594476879 552320473 /nfs/dbraw/zinc/32/04/73/552320473.db2.gz XZDAMAFIXYJKST-UHFFFAOYSA-N 0 2 374.810 1.468 20 5 FDBDLN C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594597773 552339203 /nfs/dbraw/zinc/33/92/03/552339203.db2.gz UJZYZEJQTURRFU-UTUOFQBUSA-N 0 2 365.386 1.521 20 5 FDBDLN C[C@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594597773 552339206 /nfs/dbraw/zinc/33/92/06/552339206.db2.gz UJZYZEJQTURRFU-UTUOFQBUSA-N 0 2 365.386 1.521 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000594705846 552359958 /nfs/dbraw/zinc/35/99/58/552359958.db2.gz OAVZTZSYEAAFKQ-IAQYHMDHSA-N 0 2 374.415 1.787 20 5 FDBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594730806 552366191 /nfs/dbraw/zinc/36/61/91/552366191.db2.gz PQFOZYNMAFNJPQ-UHFFFAOYSA-N 0 2 368.371 1.692 20 5 FDBDLN Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595977858 552640777 /nfs/dbraw/zinc/64/07/77/552640777.db2.gz JBMVCEAYHRVWMR-MRVWCRGKSA-N 0 2 358.354 1.418 20 5 FDBDLN O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000597640187 552816243 /nfs/dbraw/zinc/81/62/43/552816243.db2.gz IEYSATIRESGXLN-NSHDSACASA-N 0 2 361.358 1.325 20 5 FDBDLN C[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000599254839 553004112 /nfs/dbraw/zinc/00/41/12/553004112.db2.gz WKCHQMDAWIRSHH-ZETCQYMHSA-N 0 2 358.380 1.048 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000600669200 553297508 /nfs/dbraw/zinc/29/75/08/553297508.db2.gz JFNYTKBMSPMYDG-UHFFFAOYSA-N 0 2 365.415 1.956 20 5 FDBDLN O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600686612 553300840 /nfs/dbraw/zinc/30/08/40/553300840.db2.gz ZLWRIIMSVKIPCB-CQSZACIVSA-N 0 2 372.381 1.326 20 5 FDBDLN O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000600686612 553300841 /nfs/dbraw/zinc/30/08/41/553300841.db2.gz ZLWRIIMSVKIPCB-CQSZACIVSA-N 0 2 372.381 1.326 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)n1 ZINC000604471296 553879779 /nfs/dbraw/zinc/87/97/79/553879779.db2.gz ZAFQPRZQJBBOTF-UHFFFAOYSA-N 0 2 369.355 1.816 20 5 FDBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000609494711 554384323 /nfs/dbraw/zinc/38/43/23/554384323.db2.gz YIZRNNRZTKVBFL-UHFFFAOYSA-N 0 2 369.355 1.827 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000610481835 554516498 /nfs/dbraw/zinc/51/64/98/554516498.db2.gz DWPNONWTBSKVFK-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN CCCc1[nH]nc(C(=O)Nc2nnc(C(=O)OCC)s2)c1[N+](=O)[O-] ZINC000610871552 554573153 /nfs/dbraw/zinc/57/31/53/554573153.db2.gz CPHVLRAXJPVDSL-UHFFFAOYSA-N 0 2 354.348 1.551 20 5 FDBDLN CS(=O)(=O)NC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCCCC1 ZINC000613871946 554981302 /nfs/dbraw/zinc/98/13/02/554981302.db2.gz VAFWVJFUGSJKMN-UHFFFAOYSA-N 0 2 371.415 1.282 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436634361 568203525 /nfs/dbraw/zinc/20/35/25/568203525.db2.gz KJEQEJRDPHVZRY-GXFFZTMASA-N 0 2 371.415 1.138 20 5 FDBDLN CCc1nn(CCc2ccc([N+](=O)[O-])cc2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736707875 598642451 /nfs/dbraw/zinc/64/24/51/598642451.db2.gz VOJMFVRNKDLCPO-UHFFFAOYSA-N 0 2 369.385 1.699 20 5 FDBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825640194 603550816 /nfs/dbraw/zinc/55/08/16/603550816.db2.gz YXOXPBMIBMCBFI-GFCCVEGCSA-N 0 2 350.375 1.410 20 5 FDBDLN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000825640194 603550819 /nfs/dbraw/zinc/55/08/19/603550819.db2.gz YXOXPBMIBMCBFI-GFCCVEGCSA-N 0 2 350.375 1.410 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](CNC(=O)[O-])C1 ZINC000828506145 604410527 /nfs/dbraw/zinc/41/05/27/604410527.db2.gz FCAHQMJOMBFHAY-NSHDSACASA-N 0 2 361.358 1.100 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](CNC(=O)[O-])C1 ZINC000828506145 604410528 /nfs/dbraw/zinc/41/05/28/604410528.db2.gz FCAHQMJOMBFHAY-NSHDSACASA-N 0 2 361.358 1.100 20 5 FDBDLN Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829880030 605742005 /nfs/dbraw/zinc/74/20/05/605742005.db2.gz BIYGNVKWJHDDBG-NSHDSACASA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1c(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829880030 605742014 /nfs/dbraw/zinc/74/20/14/605742014.db2.gz BIYGNVKWJHDDBG-NSHDSACASA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000833907286 605772112 /nfs/dbraw/zinc/77/21/12/605772112.db2.gz FUYWHZUPONDCHV-NWDGAFQWSA-N 0 2 350.375 1.962 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])C[C@@H]1C ZINC000833907286 605772114 /nfs/dbraw/zinc/77/21/14/605772114.db2.gz FUYWHZUPONDCHV-NWDGAFQWSA-N 0 2 350.375 1.962 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CN1C(=O)[O-] ZINC000833838638 605838207 /nfs/dbraw/zinc/83/82/07/605838207.db2.gz WRUMVGZFLLINKI-NWDGAFQWSA-N 0 2 373.369 1.993 20 5 FDBDLN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000285269473 675813176 /nfs/dbraw/zinc/81/31/76/675813176.db2.gz PNTMSMSJDFAMNN-SECBINFHSA-N 0 2 367.387 1.203 20 5 FDBDLN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000285269473 675813179 /nfs/dbraw/zinc/81/31/79/675813179.db2.gz PNTMSMSJDFAMNN-SECBINFHSA-N 0 2 367.387 1.203 20 5 FDBDLN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000294504332 676385837 /nfs/dbraw/zinc/38/58/37/676385837.db2.gz KAUGXCCONCYOGJ-NSHDSACASA-N 0 2 363.267 1.780 20 5 FDBDLN O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000294504332 676385838 /nfs/dbraw/zinc/38/58/38/676385838.db2.gz KAUGXCCONCYOGJ-NSHDSACASA-N 0 2 363.267 1.780 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(O)c1 ZINC000326310156 676582036 /nfs/dbraw/zinc/58/20/36/676582036.db2.gz JRZUPSAEXCQJTH-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000363171052 676939445 /nfs/dbraw/zinc/93/94/45/676939445.db2.gz RRVMDTMXDUHWBQ-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cn1cc(-c2ccnc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)n2)cn1 ZINC000365961829 677395432 /nfs/dbraw/zinc/39/54/32/677395432.db2.gz KPIUGODWMZELAQ-UHFFFAOYSA-N 0 2 366.384 1.648 20 5 FDBDLN COc1ncnc(N(C)C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000427138815 680968189 /nfs/dbraw/zinc/96/81/89/680968189.db2.gz ZBQDKLVXRNTSNP-UHFFFAOYSA-N 0 2 367.387 1.569 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000427139717 680968215 /nfs/dbraw/zinc/96/82/15/680968215.db2.gz JOPMFGYJAKTUCJ-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COC(=O)CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436987538 681751359 /nfs/dbraw/zinc/75/13/59/681751359.db2.gz IEFFWHVJYPPZFE-UHFFFAOYSA-N 0 2 352.328 1.510 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000436991194 681751957 /nfs/dbraw/zinc/75/19/57/681751957.db2.gz QSITXUJSSZNDIZ-TZMCWYRMSA-N 0 2 354.384 1.482 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000446950826 682518777 /nfs/dbraw/zinc/51/87/77/682518777.db2.gz BUWATEWNUYROGY-UHFFFAOYSA-N 0 2 362.751 1.969 20 5 FDBDLN COC(=O)c1cnn(C)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000451060284 682808042 /nfs/dbraw/zinc/80/80/42/682808042.db2.gz JAKXEOBKWKOHIQ-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CN(C)c1noc(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000376138789 785982972 /nfs/dbraw/zinc/98/29/72/785982972.db2.gz FITWCTSAGYSOFZ-UHFFFAOYSA-N 0 2 361.358 1.769 20 5 FDBDLN O=C(N[C@@H]([C@H]1CCCO1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001143500857 792874240 /nfs/dbraw/zinc/87/42/40/792874240.db2.gz UCLHVODHIXAHPU-CABCVRRESA-N 0 2 350.371 1.740 20 5 FDBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccc(O)cc1 ZINC000436989345 816834618 /nfs/dbraw/zinc/83/46/18/816834618.db2.gz OHXMDZPSQXWVJA-LBPRGKRZSA-N 0 2 374.349 1.768 20 5 FDBDLN Cc1cc(Cn2nnc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C)no1 ZINC000516590481 816921397 /nfs/dbraw/zinc/92/13/97/816921397.db2.gz MGIXWZFKMRMUOC-UHFFFAOYSA-N 0 2 358.314 1.797 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444104399 826273583 /nfs/dbraw/zinc/27/35/83/826273583.db2.gz KMPGCKDYCNTCKG-UHFFFAOYSA-N 0 2 353.313 1.574 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450987068 830210572 /nfs/dbraw/zinc/21/05/72/830210572.db2.gz TVFOPTYWPVAUSC-ZDUSSCGKSA-N 0 2 360.374 1.893 20 5 FDBDLN C[C@@H]1CCCN(c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2[N+](=O)[O-])C1 ZINC000479749335 844555749 /nfs/dbraw/zinc/55/57/49/844555749.db2.gz SFAZBBLZYMZUOC-SNVBAGLBSA-N 0 2 360.374 1.585 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000735904738 924655356 /nfs/dbraw/zinc/65/53/56/924655356.db2.gz RCADYDWVKADQQX-UHFFFAOYSA-N 0 2 363.717 1.376 20 5 FDBDLN CCOC(Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1)OCC ZINC000770856681 930286202 /nfs/dbraw/zinc/28/62/02/930286202.db2.gz LGPAKLWVAQPUSV-UHFFFAOYSA-N 0 2 365.346 1.543 20 5 FDBDLN CC(C)(C)c1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1[N+](=O)[O-] ZINC000791440211 934004504 /nfs/dbraw/zinc/00/45/04/934004504.db2.gz UDGJALSBZLFOLS-UHFFFAOYSA-N 0 2 370.369 1.916 20 5 FDBDLN O=C(NC[C@H](O)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000773349242 961718721 /nfs/dbraw/zinc/71/87/21/961718721.db2.gz JLDCCWNWZKFMMY-LBPRGKRZSA-N 0 2 350.302 1.609 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)cs1 ZINC000775099616 965072886 /nfs/dbraw/zinc/07/28/86/965072886.db2.gz IIWUUSWCYOBVAN-UHFFFAOYSA-N 0 2 358.279 1.945 20 5 FDBDLN O=C([N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000776093130 974814645 /nfs/dbraw/zinc/81/46/45/974814645.db2.gz NKAVCLOIMWGTAU-UHFFFAOYSA-N 0 2 373.350 1.294 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595488837 981238027 /nfs/dbraw/zinc/23/80/27/981238027.db2.gz RVHHYTBJZXGHJB-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595488837 981238031 /nfs/dbraw/zinc/23/80/31/981238031.db2.gz RVHHYTBJZXGHJB-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[nH]n1 ZINC000826299521 981927869 /nfs/dbraw/zinc/92/78/69/981927869.db2.gz JFURHEUYHIHQPN-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594554969 986279708 /nfs/dbraw/zinc/27/97/08/986279708.db2.gz RTQSGZFVJRRWCK-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594554969 986279720 /nfs/dbraw/zinc/27/97/20/986279720.db2.gz RTQSGZFVJRRWCK-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000362314880 988631251 /nfs/dbraw/zinc/63/12/51/988631251.db2.gz BGVZNJUGSZQZMX-NSHDSACASA-N 0 2 356.338 1.683 20 5 FDBDLN O=C(c1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1 ZINC000369958850 989341410 /nfs/dbraw/zinc/34/14/10/989341410.db2.gz HXJKHSFVMZVZDC-GDBMZVCRSA-N 0 2 359.382 1.103 20 5 FDBDLN Cc1nc(CN2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)no1 ZINC000370430030 989738884 /nfs/dbraw/zinc/73/88/84/989738884.db2.gz GVBBAMITKVPLGF-LLVKDONJSA-N 0 2 361.358 1.386 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)c1C ZINC000371982662 990871921 /nfs/dbraw/zinc/87/19/21/990871921.db2.gz CDLUBVGQMBQVBO-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COC1CC[NH+](CCNCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001599124013 997800544 /nfs/dbraw/zinc/80/05/44/997800544.db2.gz OMCKKTXAHZOGIX-UHFFFAOYSA-N 0 2 367.402 1.259 20 5 FDBDLN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000518379179 539414712 /nfs/dbraw/zinc/41/47/12/539414712.db2.gz GLUGLKGOZNABPA-LLVKDONJSA-N 0 2 361.358 1.594 20 5 FDBDLN O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000274637587 181136692 /nfs/dbraw/zinc/13/66/92/181136692.db2.gz CKHVBGQMEORYGI-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000274891823 181187869 /nfs/dbraw/zinc/18/78/69/181187869.db2.gz CCPPOKBTRAHCFF-ZDUSSCGKSA-N 0 2 367.358 1.875 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534067488 540320842 /nfs/dbraw/zinc/32/08/42/540320842.db2.gz BQHINFZUZDYPNL-MRVPVSSYSA-N 0 2 371.396 1.667 20 5 FDBDLN CCOC(=O)c1cc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[nH][n-]1 ZINC000538648632 540875327 /nfs/dbraw/zinc/87/53/27/540875327.db2.gz OGRFLORMJQZJED-UHFFFAOYSA-N 0 2 370.325 1.933 20 5 FDBDLN O=C(CNC(=O)NCc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000538871306 540903033 /nfs/dbraw/zinc/90/30/33/540903033.db2.gz ZIWWSNDCXUMESJ-UHFFFAOYSA-N 0 2 362.317 1.877 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000541081716 541148073 /nfs/dbraw/zinc/14/80/73/541148073.db2.gz LBYJMUGWJIMJBP-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000275649184 181377529 /nfs/dbraw/zinc/37/75/29/181377529.db2.gz NHALVFGANHBLEE-BBRMVZONSA-N 0 2 360.370 1.911 20 5 FDBDLN COc1cc(F)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1OC ZINC000543445782 541593330 /nfs/dbraw/zinc/59/33/30/541593330.db2.gz CCTDETQYCOQXHJ-UHFFFAOYSA-N 0 2 357.319 1.369 20 5 FDBDLN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cccc(O)c1[N+](=O)[O-] ZINC000286597315 183105883 /nfs/dbraw/zinc/10/58/83/183105883.db2.gz XLNGJDXGFSZEBG-LLVKDONJSA-N 0 2 363.292 1.293 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccn2)ccc1[N+](=O)[O-] ZINC000556302565 544129517 /nfs/dbraw/zinc/12/95/17/544129517.db2.gz JQAHTVJPUQJOQF-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000556303728 544129521 /nfs/dbraw/zinc/12/95/21/544129521.db2.gz JXRCRDNRJBAHMB-UHFFFAOYSA-N 0 2 370.387 1.821 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)c1cccnc1 ZINC000367255043 260016741 /nfs/dbraw/zinc/01/67/41/260016741.db2.gz XNBSEUHPDRQQPX-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN CCOC(=O)c1c[nH]n(C2CCN(c3nc(C)ccc3[N+](=O)[O-])CC2)c1=N ZINC000368564664 260203078 /nfs/dbraw/zinc/20/30/78/260203078.db2.gz SRQVGQZTSMGRJI-UHFFFAOYSA-N 0 2 374.401 1.925 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000368933477 260262680 /nfs/dbraw/zinc/26/26/80/260262680.db2.gz QWEGYBFMKUQYHF-UHFFFAOYSA-N 0 2 357.370 1.858 20 5 FDBDLN CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014225034 518685034 /nfs/dbraw/zinc/68/50/34/518685034.db2.gz CJVIGKGSYSDGJP-UHFFFAOYSA-N 0 2 371.396 1.304 20 5 FDBDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000026540674 519127540 /nfs/dbraw/zinc/12/75/40/519127540.db2.gz VYPNZTPZAQCWMD-UHFFFAOYSA-N 0 2 355.376 1.140 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000066247670 522997533 /nfs/dbraw/zinc/99/75/33/522997533.db2.gz VWBQQXZXBFEWRP-UHFFFAOYSA-N 0 2 363.398 1.629 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(N)=O)cc1 ZINC000055580499 523829328 /nfs/dbraw/zinc/82/93/28/523829328.db2.gz UOYSDTYXWPYQGL-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000055630805 523838170 /nfs/dbraw/zinc/83/81/70/523838170.db2.gz TZMSPUVVLFVARU-LBPRGKRZSA-N 0 2 352.372 1.771 20 5 FDBDLN O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112727336 524553279 /nfs/dbraw/zinc/55/32/79/524553279.db2.gz UPHYFOCHYCYDAI-UHFFFAOYSA-N 0 2 365.292 1.738 20 5 FDBDLN O=C(Nc1ccc2nn[nH]c2c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000175831444 525014179 /nfs/dbraw/zinc/01/41/79/525014179.db2.gz ZAOWTEWUHPJPDL-UHFFFAOYSA-N 0 2 350.298 1.699 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000162082754 525210707 /nfs/dbraw/zinc/21/07/07/525210707.db2.gz LWVNZNFNEIKYJQ-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN O=C(NCCn1cc([N+](=O)[O-])cn1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000129959622 525709021 /nfs/dbraw/zinc/70/90/21/525709021.db2.gz WUPQPUWNPCYLDU-UHFFFAOYSA-N 0 2 360.305 1.252 20 5 FDBDLN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130314579 525739888 /nfs/dbraw/zinc/73/98/88/525739888.db2.gz OOOYXXCXHCUGDS-HNNXBMFYSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130314579 525739894 /nfs/dbraw/zinc/73/98/94/525739894.db2.gz OOOYXXCXHCUGDS-HNNXBMFYSA-N 0 2 371.393 1.931 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2cnnn2)c(C)c1 ZINC000108354427 525957410 /nfs/dbraw/zinc/95/74/10/525957410.db2.gz WSOVBGNWPAQGMI-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN NC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccc(F)cc1 ZINC000133166788 526029851 /nfs/dbraw/zinc/02/98/51/526029851.db2.gz QAYUDEXQSLJPFT-LLVKDONJSA-N 0 2 361.329 1.514 20 5 FDBDLN COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263065976 536968890 /nfs/dbraw/zinc/96/88/90/536968890.db2.gz QYZBSNKCIDFXBW-KRWDZBQOSA-N 0 2 374.353 1.344 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c1[N+](=O)[O-] ZINC000189245490 537016766 /nfs/dbraw/zinc/01/67/66/537016766.db2.gz DPIRTIQEIUWURM-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1-n1nnnc1C ZINC000363811541 537322294 /nfs/dbraw/zinc/32/22/94/537322294.db2.gz CPFDWKFNZDDJNV-UHFFFAOYSA-N 0 2 370.325 1.845 20 5 FDBDLN COCCOc1cnc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000350696004 537520418 /nfs/dbraw/zinc/52/04/18/537520418.db2.gz WTKMHUWVXVSMJB-UHFFFAOYSA-N 0 2 359.298 1.833 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c1 ZINC000285146408 537633489 /nfs/dbraw/zinc/63/34/89/537633489.db2.gz KMQMBJYDEOWRGD-SSDOTTSWSA-N 0 2 366.676 1.589 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000285146411 537633608 /nfs/dbraw/zinc/63/36/08/537633608.db2.gz KMQMBJYDEOWRGD-ZETCQYMHSA-N 0 2 366.676 1.589 20 5 FDBDLN Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376072684 537826830 /nfs/dbraw/zinc/82/68/30/537826830.db2.gz AXUACTIIJRCYLB-OAHLLOKOSA-N 0 2 360.370 1.620 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCCC(F)(F)[C@@H]1O ZINC000416627388 537911835 /nfs/dbraw/zinc/91/18/35/537911835.db2.gz VJMTYWGLDAANFU-GZMMTYOYSA-N 0 2 354.306 1.561 20 5 FDBDLN C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000427687065 538228221 /nfs/dbraw/zinc/22/82/21/538228221.db2.gz HAWBBWOCFDDQGG-SFHVURJKSA-N 0 2 371.349 1.646 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273119 538270228 /nfs/dbraw/zinc/27/02/28/538270228.db2.gz VYPXMLJWXMXHII-BONVTDFDSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273119 538270234 /nfs/dbraw/zinc/27/02/34/538270234.db2.gz VYPXMLJWXMXHII-BONVTDFDSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1cc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000425293603 538397106 /nfs/dbraw/zinc/39/71/06/538397106.db2.gz CCKGJCJRPKPWEL-QMMMGPOBSA-N 0 2 366.305 1.851 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1C ZINC000466957911 538584360 /nfs/dbraw/zinc/58/43/60/538584360.db2.gz ODVHPVFMVMWXTF-UHFFFAOYSA-N 0 2 359.385 1.891 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C ZINC000467774386 538686825 /nfs/dbraw/zinc/68/68/25/538686825.db2.gz VQQHDHSSPXGDAU-UHFFFAOYSA-N 0 2 355.328 1.226 20 5 FDBDLN CCOC(=O)c1cnccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000562240089 546066324 /nfs/dbraw/zinc/06/63/24/546066324.db2.gz NUOAIJYCRPCQPQ-UHFFFAOYSA-N 0 2 365.367 1.698 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000566294560 547698948 /nfs/dbraw/zinc/69/89/48/547698948.db2.gz GREUMBGFFCZJCR-UHFFFAOYSA-N 0 2 357.370 1.714 20 5 FDBDLN CO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000568654684 548627449 /nfs/dbraw/zinc/62/74/49/548627449.db2.gz VNHHJZSSMGHNTB-DOMZBBRYSA-N 0 2 374.353 1.485 20 5 FDBDLN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000574455761 550316866 /nfs/dbraw/zinc/31/68/66/550316866.db2.gz GEJSTXVDNSHSJA-GFCCVEGCSA-N 0 2 363.757 1.780 20 5 FDBDLN CS(=O)(=O)c1cccnc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000576333245 550536708 /nfs/dbraw/zinc/53/67/08/550536708.db2.gz DOZMOOFZXJLKIK-UHFFFAOYSA-N 0 2 351.340 1.029 20 5 FDBDLN C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000591584695 551881363 /nfs/dbraw/zinc/88/13/63/551881363.db2.gz FYWQNNALJJDXCY-TXEJJXNPSA-N 0 2 373.431 1.078 20 5 FDBDLN C[C@@H]1C[N@H+](CCCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000591584695 551881365 /nfs/dbraw/zinc/88/13/65/551881365.db2.gz FYWQNNALJJDXCY-TXEJJXNPSA-N 0 2 373.431 1.078 20 5 FDBDLN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000592795943 552029828 /nfs/dbraw/zinc/02/98/28/552029828.db2.gz ARWOTEOLKJNXAY-UHFFFAOYSA-N 0 2 361.358 1.594 20 5 FDBDLN C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594597771 552339560 /nfs/dbraw/zinc/33/95/60/552339560.db2.gz UJZYZEJQTURRFU-SDDRHHMPSA-N 0 2 365.386 1.521 20 5 FDBDLN C[C@@H](CNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594597771 552339561 /nfs/dbraw/zinc/33/95/61/552339561.db2.gz UJZYZEJQTURRFU-SDDRHHMPSA-N 0 2 365.386 1.521 20 5 FDBDLN CC(C)(C)OC(=O)Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000598547233 552908400 /nfs/dbraw/zinc/90/84/00/552908400.db2.gz DYSGUWVORUZJSV-UHFFFAOYSA-N 0 2 362.342 2.091 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598733965 552929042 /nfs/dbraw/zinc/92/90/42/552929042.db2.gz HHYOVWLMMZIIIH-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000600303510 553246573 /nfs/dbraw/zinc/24/65/73/553246573.db2.gz XSFBWLBFPVHYPW-UHFFFAOYSA-N 0 2 374.340 1.987 20 5 FDBDLN CN(C)c1[nH+]cccc1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603640174 553807949 /nfs/dbraw/zinc/80/79/49/553807949.db2.gz AHXUDKKAVRWZRG-UHFFFAOYSA-N 0 2 352.372 1.240 20 5 FDBDLN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000603776752 553814200 /nfs/dbraw/zinc/81/42/00/553814200.db2.gz GXNXOUOVQYGMHF-LBPRGKRZSA-N 0 2 355.372 1.475 20 5 FDBDLN C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccco1 ZINC000603776747 553814244 /nfs/dbraw/zinc/81/42/44/553814244.db2.gz GXNXOUOVQYGMHF-GFCCVEGCSA-N 0 2 355.372 1.475 20 5 FDBDLN Cc1ccc2[nH+]c(CNS(=O)(=O)c3ccc([O-])c([N+](=O)[O-])c3)cn2c1 ZINC000604043633 553838333 /nfs/dbraw/zinc/83/83/33/553838333.db2.gz CADRJAFNOGYFID-UHFFFAOYSA-N 0 2 362.367 1.735 20 5 FDBDLN NC(=O)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000608928061 554329538 /nfs/dbraw/zinc/32/95/38/554329538.db2.gz QTULMTKLENNSLH-UHFFFAOYSA-N 0 2 362.776 1.604 20 5 FDBDLN NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000611535266 554643284 /nfs/dbraw/zinc/64/32/84/554643284.db2.gz UGOKUKJGROWNAH-UHFFFAOYSA-N 0 2 369.330 1.017 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c[nH]1 ZINC000618906594 555694187 /nfs/dbraw/zinc/69/41/87/555694187.db2.gz NYOGTZSFDZMOLT-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CC(=O)[O-])C1CCOCC1 ZINC000832972600 601047399 /nfs/dbraw/zinc/04/73/99/601047399.db2.gz HKRSIFHWMGGFAY-UHFFFAOYSA-N 0 2 351.359 1.407 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000832972600 601047402 /nfs/dbraw/zinc/04/74/02/601047402.db2.gz HKRSIFHWMGGFAY-UHFFFAOYSA-N 0 2 351.359 1.407 20 5 FDBDLN O=C([O-])NC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740644558 601963133 /nfs/dbraw/zinc/96/31/33/601963133.db2.gz UQCXYIXAAWXBOD-VIFPVBQESA-N 0 2 356.766 1.776 20 5 FDBDLN O=C([O-])NC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000740644558 601963136 /nfs/dbraw/zinc/96/31/36/601963136.db2.gz UQCXYIXAAWXBOD-VIFPVBQESA-N 0 2 356.766 1.776 20 5 FDBDLN CN(C(=O)C[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000739573596 601972803 /nfs/dbraw/zinc/97/28/03/601972803.db2.gz ZFZSACKHDFGIKC-AWEZNQCLSA-N 0 2 350.375 1.632 20 5 FDBDLN CN(C(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000739573596 601972805 /nfs/dbraw/zinc/97/28/05/601972805.db2.gz ZFZSACKHDFGIKC-AWEZNQCLSA-N 0 2 350.375 1.632 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C)N1C(=O)[O-] ZINC000739172913 602754034 /nfs/dbraw/zinc/75/40/34/602754034.db2.gz WZNJXVITQBCSHL-RYUDHWBXSA-N 0 2 373.369 1.993 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740625817 602772128 /nfs/dbraw/zinc/77/21/28/602772128.db2.gz MHJJBNKUGGXMNO-STQMWFEESA-N 0 2 373.369 1.947 20 5 FDBDLN C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114682 603537733 /nfs/dbraw/zinc/53/77/33/603537733.db2.gz KMVKPTNPTPWAJL-SNVBAGLBSA-N 0 2 356.766 1.871 20 5 FDBDLN C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114682 603537736 /nfs/dbraw/zinc/53/77/36/603537736.db2.gz KMVKPTNPTPWAJL-SNVBAGLBSA-N 0 2 356.766 1.871 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829453194 603538837 /nfs/dbraw/zinc/53/88/37/603538837.db2.gz CZGSODKCZHDDGS-SNVBAGLBSA-N 0 2 352.347 1.226 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829453194 603538839 /nfs/dbraw/zinc/53/88/39/603538839.db2.gz CZGSODKCZHDDGS-SNVBAGLBSA-N 0 2 352.347 1.226 20 5 FDBDLN C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833630201 605402382 /nfs/dbraw/zinc/40/23/82/605402382.db2.gz FUCDLEODWVPWHD-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833630201 605402389 /nfs/dbraw/zinc/40/23/89/605402389.db2.gz FUCDLEODWVPWHD-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830382757 605741683 /nfs/dbraw/zinc/74/16/83/605741683.db2.gz UZDNEORTZFUNIQ-LBPRGKRZSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830382757 605741685 /nfs/dbraw/zinc/74/16/85/605741685.db2.gz UZDNEORTZFUNIQ-LBPRGKRZSA-N 0 2 351.363 1.319 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)nc2)c1-c1nn[nH]n1 ZINC000823646848 607004505 /nfs/dbraw/zinc/00/45/05/607004505.db2.gz BGMDZUWJSXYJEB-UHFFFAOYSA-N 0 2 365.306 1.110 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000822212657 607025675 /nfs/dbraw/zinc/02/56/75/607025675.db2.gz ATNYGCVTWDXCGB-UHFFFAOYSA-N 0 2 367.372 1.341 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)no1 ZINC000277256239 674901246 /nfs/dbraw/zinc/90/12/46/674901246.db2.gz MMEYTNVBSWZAJA-UHFFFAOYSA-N 0 2 357.304 1.612 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000278133751 675098101 /nfs/dbraw/zinc/09/81/01/675098101.db2.gz COYCSKQODQAXJC-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000430063068 681061775 /nfs/dbraw/zinc/06/17/75/681061775.db2.gz UXCJVUGIYVAGML-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC000431322106 681116041 /nfs/dbraw/zinc/11/60/41/681116041.db2.gz HJOYQRHKALCKBE-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN Cc1c(NC(=O)NCc2n[nH]c(=O)[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000435322470 681587719 /nfs/dbraw/zinc/58/77/19/681587719.db2.gz DAYMBKJJKWSFAE-UHFFFAOYSA-N 0 2 371.151 1.811 20 5 FDBDLN NS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436859373 681739094 /nfs/dbraw/zinc/73/90/94/681739094.db2.gz KFEGYHNIZGAATD-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN CS(=O)(=O)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436974294 681749609 /nfs/dbraw/zinc/74/96/09/681749609.db2.gz XRUGKRTYHPNAHT-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN COC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000442362099 682147649 /nfs/dbraw/zinc/14/76/49/682147649.db2.gz VMFFMQRWCLZPIN-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000475828114 685651063 /nfs/dbraw/zinc/65/10/63/685651063.db2.gz GQABTVYIONWXPB-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(C)n1 ZINC000486581675 686914679 /nfs/dbraw/zinc/91/46/79/686914679.db2.gz BGBGKFFFJBJAGI-UHFFFAOYSA-N 0 2 370.387 1.327 20 5 FDBDLN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000505220232 688486678 /nfs/dbraw/zinc/48/66/78/688486678.db2.gz QHTLFZBJBNLSBX-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN O=[N+]([O-])c1ccc2[nH]cc(CCNS(=O)(=O)NCC(F)(F)F)c2c1 ZINC000514813056 689770598 /nfs/dbraw/zinc/77/05/98/689770598.db2.gz WHQZUKSLTQVCBA-UHFFFAOYSA-N 0 2 366.321 1.605 20 5 FDBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000515610184 689877575 /nfs/dbraw/zinc/87/75/75/689877575.db2.gz BFVOTPILDLVMMA-SNVBAGLBSA-N 0 2 363.399 1.917 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000450985802 830210617 /nfs/dbraw/zinc/21/06/17/830210617.db2.gz LEWNGUHCTAJUMV-LBPRGKRZSA-N 0 2 360.374 1.893 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)NC(=O)CNC2=O ZINC000490601997 861600965 /nfs/dbraw/zinc/60/09/65/861600965.db2.gz AWWRFDCCNSJPNJ-UHFFFAOYSA-N 0 2 356.294 1.235 20 5 FDBDLN Cc1cnc(COCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000496052882 877365074 /nfs/dbraw/zinc/36/50/74/877365074.db2.gz KPTSNVQIHWIQOJ-UHFFFAOYSA-N 0 2 358.314 1.832 20 5 FDBDLN O=C1OCc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000746054243 927578152 /nfs/dbraw/zinc/57/81/52/927578152.db2.gz OYPZOKRGSIVRAT-UHFFFAOYSA-N 0 2 350.308 1.772 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000845529477 949451389 /nfs/dbraw/zinc/45/13/89/949451389.db2.gz NXNMYGZRLHDNLH-SNVBAGLBSA-N 0 2 352.372 1.556 20 5 FDBDLN O=C(NCCS(=O)(=O)CC(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000855577352 970508449 /nfs/dbraw/zinc/50/84/49/970508449.db2.gz FNLGHFKIGNKYEO-UHFFFAOYSA-N 0 2 356.278 1.007 20 5 FDBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nnn(C(C)C)n2)cc1[N+](=O)[O-] ZINC001195128236 970707959 /nfs/dbraw/zinc/70/79/59/970707959.db2.gz RYLZGDNOZMQGQK-UHFFFAOYSA-N 0 2 360.783 1.925 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001589438953 986768750 /nfs/dbraw/zinc/76/87/50/986768750.db2.gz QVOGHDZEKCNIGQ-RMLUDKJBSA-N 0 2 357.750 1.097 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001589438953 986768753 /nfs/dbraw/zinc/76/87/53/986768753.db2.gz QVOGHDZEKCNIGQ-RMLUDKJBSA-N 0 2 357.750 1.097 20 5 FDBDLN O=C(NCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc21)C(F)(F)F ZINC000871317160 986898900 /nfs/dbraw/zinc/89/89/00/986898900.db2.gz MVBQUECDSXEECY-IRUJWGPZSA-N 0 2 371.315 1.851 20 5 FDBDLN C[C@H]1NC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)=NN(c2ccccc2)C1=O ZINC000363950620 989465977 /nfs/dbraw/zinc/46/59/77/989465977.db2.gz IGSBVTYRWOPWFW-SNVBAGLBSA-N 0 2 369.337 1.577 20 5 FDBDLN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000364385740 989556482 /nfs/dbraw/zinc/55/64/82/989556482.db2.gz BPUFQHWTTXBASK-HNNXBMFYSA-N 0 2 355.350 1.614 20 5 FDBDLN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001599193586 997174901 /nfs/dbraw/zinc/17/49/01/997174901.db2.gz STPSVXOIIBHYQS-QGZVFWFLSA-N 0 2 363.370 1.050 20 5 FDBDLN COC[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001599193586 997174907 /nfs/dbraw/zinc/17/49/07/997174907.db2.gz STPSVXOIIBHYQS-QGZVFWFLSA-N 0 2 363.370 1.050 20 5 FDBDLN O=C(NCCS(=O)(=O)Cc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000795569803 1006723721 /nfs/dbraw/zinc/72/37/21/1006723721.db2.gz UZYWBIOWEZESJS-UHFFFAOYSA-N 0 2 364.379 1.645 20 5 FDBDLN CC(C)COC(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000795898357 1008337800 /nfs/dbraw/zinc/33/78/00/1008337800.db2.gz QWSFURDKMIYFKW-UHFFFAOYSA-N 0 2 351.359 1.851 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000508094006 538926616 /nfs/dbraw/zinc/92/66/16/538926616.db2.gz JBJOOSVYGBXTRI-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000508118654 538927091 /nfs/dbraw/zinc/92/70/91/538927091.db2.gz PLMPDOPEBNXACE-UHFFFAOYSA-N 0 2 372.334 1.350 20 5 FDBDLN CC(C)[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274651737 181139024 /nfs/dbraw/zinc/13/90/24/181139024.db2.gz DQRXSLUROJODDQ-MFKMUULPSA-N 0 2 367.427 1.976 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000274766936 181162172 /nfs/dbraw/zinc/16/21/72/181162172.db2.gz YQGLLYHJRZNPCV-TZMCWYRMSA-N 0 2 356.400 1.728 20 5 FDBDLN O=C(CCN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275170497 181253593 /nfs/dbraw/zinc/25/35/93/181253593.db2.gz WTFBZCBNAJWJIR-UHFFFAOYSA-N 0 2 362.342 1.494 20 5 FDBDLN CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000536872940 540655829 /nfs/dbraw/zinc/65/58/29/540655829.db2.gz XZOUDOPKSSGAIQ-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cn1 ZINC000537650721 540755808 /nfs/dbraw/zinc/75/58/08/540755808.db2.gz AXPHTDALXYQZES-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CS(=O)(=O)NCc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000539433765 540959840 /nfs/dbraw/zinc/95/98/40/540959840.db2.gz VSYIBNVAFJOPEH-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000275500997 181335367 /nfs/dbraw/zinc/33/53/67/181335367.db2.gz LKVLRAGRPAGEEJ-UHFFFAOYSA-N 0 2 357.304 1.810 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000543643150 541626392 /nfs/dbraw/zinc/62/63/92/541626392.db2.gz MDHFNEWOHLOSFD-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000543658991 541628979 /nfs/dbraw/zinc/62/89/79/541628979.db2.gz SJTVBGBDISDFCP-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000544079444 541710204 /nfs/dbraw/zinc/71/02/04/541710204.db2.gz FLCWLCUDDZGRES-UHFFFAOYSA-N 0 2 355.376 1.751 20 5 FDBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000545870571 542033726 /nfs/dbraw/zinc/03/37/26/542033726.db2.gz OEHPDFBOMVSMAD-UHFFFAOYSA-N 0 2 364.308 1.936 20 5 FDBDLN CC(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000295445808 184071916 /nfs/dbraw/zinc/07/19/16/184071916.db2.gz YTNIBNQJEBVBFX-UHFFFAOYSA-N 0 2 359.795 1.968 20 5 FDBDLN C[C@H](CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)c1nn[nH]n1 ZINC000296160811 184136473 /nfs/dbraw/zinc/13/64/73/184136473.db2.gz YQQOOEHQJDFIFL-SECBINFHSA-N 0 2 356.346 1.374 20 5 FDBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2ccnc(N)c2[N+](=O)[O-])n1 ZINC000548715020 542760944 /nfs/dbraw/zinc/76/09/44/542760944.db2.gz QEDUTDISNOMKPR-UHFFFAOYSA-N 0 2 355.314 1.618 20 5 FDBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000549733098 542926559 /nfs/dbraw/zinc/92/65/59/542926559.db2.gz WFSFWHJAQZZODY-UHFFFAOYSA-N 0 2 370.325 1.194 20 5 FDBDLN CS(=O)(=O)c1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000551014899 543216087 /nfs/dbraw/zinc/21/60/87/543216087.db2.gz HAHVZSOTMVEMAU-UHFFFAOYSA-N 0 2 357.369 1.194 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000181082498 174206775 /nfs/dbraw/zinc/20/67/75/174206775.db2.gz INPPGZKKVQOMCJ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CCn1cc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)c([N+](=O)[O-])n1 ZINC000330459548 259145711 /nfs/dbraw/zinc/14/57/11/259145711.db2.gz JDAHOYPOVHKGCN-UHFFFAOYSA-N 0 2 372.325 1.201 20 5 FDBDLN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367532489 260056527 /nfs/dbraw/zinc/05/65/27/260056527.db2.gz BATHURPFMVZRIO-ABAIWWIYSA-N 0 2 360.370 1.620 20 5 FDBDLN COCCn1cc2c(n1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000368128529 260138852 /nfs/dbraw/zinc/13/88/52/260138852.db2.gz HHIAUAOEZHAVRL-ZDUSSCGKSA-N 0 2 360.370 1.951 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000368250703 260157019 /nfs/dbraw/zinc/15/70/19/260157019.db2.gz DDXSBLGFRWNZLR-GFCCVEGCSA-N 0 2 350.371 1.958 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000368862246 260251275 /nfs/dbraw/zinc/25/12/75/260251275.db2.gz FRFYDRWSOCACKJ-UHFFFAOYSA-N 0 2 361.354 1.444 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)N[C@H]1CCOc2ccccc21 ZINC000374431243 261130703 /nfs/dbraw/zinc/13/07/03/261130703.db2.gz WKPIQERXRCUODQ-AWEZNQCLSA-N 0 2 371.349 1.670 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1ccncc1 ZINC000378426847 262023288 /nfs/dbraw/zinc/02/32/88/262023288.db2.gz QIFUDLFSHZRPKG-AWEZNQCLSA-N 0 2 356.338 1.939 20 5 FDBDLN Cc1ccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000026652272 519131259 /nfs/dbraw/zinc/13/12/59/519131259.db2.gz WKAPSSLIXYJFLG-UHFFFAOYSA-N 0 2 361.329 1.908 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000028808504 519251385 /nfs/dbraw/zinc/25/13/85/519251385.db2.gz ZSNVVUZYSZZVKA-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c([N+](=O)[O-])c1 ZINC000029323459 519287224 /nfs/dbraw/zinc/28/72/24/519287224.db2.gz QLRSOJVYLURTTJ-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN CCOC(=O)CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000043005860 521808657 /nfs/dbraw/zinc/80/86/57/521808657.db2.gz CIXYAUBHHVVRAQ-UHFFFAOYSA-N 0 2 358.357 1.947 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000127506737 525430003 /nfs/dbraw/zinc/43/00/03/525430003.db2.gz HBRCGJBDPLQIMD-UHFFFAOYSA-N 0 2 360.355 1.952 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164682365 525523102 /nfs/dbraw/zinc/52/31/02/525523102.db2.gz LZWFQRFQYMEXCA-TZMCWYRMSA-N 0 2 359.382 1.916 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164682596 525524148 /nfs/dbraw/zinc/52/41/48/525524148.db2.gz LZWFQRFQYMEXCA-GXTWGEPZSA-N 0 2 359.382 1.916 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000154515656 525557913 /nfs/dbraw/zinc/55/79/13/525557913.db2.gz OBZXSZQPGCLJQF-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000128988505 525599831 /nfs/dbraw/zinc/59/98/31/525599831.db2.gz IIAOJYXYNPUOEZ-INIZCTEOSA-N 0 2 355.350 1.922 20 5 FDBDLN O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130314382 525740136 /nfs/dbraw/zinc/74/01/36/525740136.db2.gz OOOYXXCXHCUGDS-OAHLLOKOSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130314382 525740148 /nfs/dbraw/zinc/74/01/48/525740148.db2.gz OOOYXXCXHCUGDS-OAHLLOKOSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(Cc1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181884199 525971165 /nfs/dbraw/zinc/97/11/65/525971165.db2.gz KRXXINJTNQTACX-UHFFFAOYSA-N 0 2 369.377 1.828 20 5 FDBDLN CCCCn1c2nc(-c3ccc([N+](=O)[O-])c(O)c3)n(C)c2c(=O)[nH]c1=O ZINC000133558812 526071442 /nfs/dbraw/zinc/07/14/42/526071442.db2.gz JZQINMYFOIWFHU-UHFFFAOYSA-N 0 2 359.342 1.504 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000182148290 526074369 /nfs/dbraw/zinc/07/43/69/526074369.db2.gz DEDSXPPCDUNMNP-ABAIWWIYSA-N 0 2 359.382 1.916 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)OC)c1 ZINC000264854100 537148258 /nfs/dbraw/zinc/14/82/58/537148258.db2.gz NRFNCAXUVDCJST-UHFFFAOYSA-N 0 2 368.371 1.328 20 5 FDBDLN CCOC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000248322061 537172744 /nfs/dbraw/zinc/17/27/44/537172744.db2.gz VRQZSWZLDOCQRS-UHFFFAOYSA-N 0 2 351.359 1.011 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c1[N+](=O)[O-] ZINC000191784774 537212497 /nfs/dbraw/zinc/21/24/97/537212497.db2.gz GXIWZNQYHFGJBP-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000298871695 537350771 /nfs/dbraw/zinc/35/07/71/537350771.db2.gz UEWUSDUMHZKKBN-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(N(C)C)ncn2)c1C ZINC000291004715 537504024 /nfs/dbraw/zinc/50/40/24/537504024.db2.gz VLSJMEUVYTXJAK-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN COc1ccc(C(=O)NCC(=O)NOCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000275075964 537536930 /nfs/dbraw/zinc/53/69/30/537536930.db2.gz LYFVZOILDCISBR-UHFFFAOYSA-N 0 2 365.264 1.333 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nn1C ZINC000414458581 537811561 /nfs/dbraw/zinc/81/15/61/537811561.db2.gz YEOZZQWJEQIABP-UHFFFAOYSA-N 0 2 365.293 1.851 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2ccc(N(C)C)cn2)ccc1[N+](=O)[O-] ZINC000468937894 538768577 /nfs/dbraw/zinc/76/85/77/538768577.db2.gz JWHRRLHWPIIJGW-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505224121 538857745 /nfs/dbraw/zinc/85/77/45/538857745.db2.gz MPLIRUSAQIEYRE-LBPRGKRZSA-N 0 2 372.337 1.307 20 5 FDBDLN C[C@@]1(c2cccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])c2)NC(=O)NC1=O ZINC000561310713 545797964 /nfs/dbraw/zinc/79/79/64/545797964.db2.gz MICBTDJBMSAXBN-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000561647717 545918016 /nfs/dbraw/zinc/91/80/16/545918016.db2.gz BJPSZAJLNSIXRL-UHFFFAOYSA-N 0 2 357.370 1.929 20 5 FDBDLN COCCOc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1C ZINC000565748837 547464913 /nfs/dbraw/zinc/46/49/13/547464913.db2.gz KCYQWYGQNOJVEW-UHFFFAOYSA-N 0 2 367.383 1.546 20 5 FDBDLN C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567956100 548336169 /nfs/dbraw/zinc/33/61/69/548336169.db2.gz FJMIQWKEVAZIFE-CMPLNLGQSA-N 0 2 369.805 1.889 20 5 FDBDLN O=C([O-])c1cnc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c([N+](=O)[O-])c1 ZINC000569609433 548981908 /nfs/dbraw/zinc/98/19/08/548981908.db2.gz ZLVQGHCODLQLJR-HNNXBMFYSA-N 0 2 368.415 1.308 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c([N+](=O)[O-])n1 ZINC000574731511 550360969 /nfs/dbraw/zinc/36/09/69/550360969.db2.gz CZDCIYZVSHJDFZ-UHFFFAOYSA-N 0 2 371.766 1.308 20 5 FDBDLN C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-] ZINC000576346720 550538241 /nfs/dbraw/zinc/53/82/41/550538241.db2.gz NQUFEBSDHADOFE-UKRRQHHQSA-N 0 2 363.414 1.974 20 5 FDBDLN CC(C)(C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000582187783 551188642 /nfs/dbraw/zinc/18/86/42/551188642.db2.gz PZZIPDFDKAOYIX-UHFFFAOYSA-N 0 2 357.330 1.656 20 5 FDBDLN CCOc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000583996702 551432263 /nfs/dbraw/zinc/43/22/63/551432263.db2.gz ZDSMHGALRNBTSW-NSHDSACASA-N 0 2 361.358 1.837 20 5 FDBDLN COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000586804258 551620902 /nfs/dbraw/zinc/62/09/02/551620902.db2.gz GKXDDMNTMGMNBX-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@H+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@@H]1C ZINC000586804258 551620905 /nfs/dbraw/zinc/62/09/05/551620905.db2.gz GKXDDMNTMGMNBX-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000586804257 551620994 /nfs/dbraw/zinc/62/09/94/551620994.db2.gz GKXDDMNTMGMNBX-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@H+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H]1C ZINC000586804257 551620995 /nfs/dbraw/zinc/62/09/95/551620995.db2.gz GKXDDMNTMGMNBX-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1cc(O)ccc1[N+](=O)[O-] ZINC000586854967 551625908 /nfs/dbraw/zinc/62/59/08/551625908.db2.gz HNYSUCQPRJMENX-ZDUSSCGKSA-N 0 2 370.321 1.814 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)C(=O)Nc1ncccc1O ZINC000588862039 551694657 /nfs/dbraw/zinc/69/46/57/551694657.db2.gz JUURCTZRIMOYCM-UWVGGRQHSA-N 0 2 374.353 1.794 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H](OC)C(C)C)cc([N+](=O)[O-])c1 ZINC000592351996 551983567 /nfs/dbraw/zinc/98/35/67/551983567.db2.gz NBTSOAQPPLKHET-ZDUSSCGKSA-N 0 2 360.388 1.794 20 5 FDBDLN CCN1C(=O)N=NC1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000592814609 552031810 /nfs/dbraw/zinc/03/18/10/552031810.db2.gz NTBSNGRKXQEFIN-UHFFFAOYSA-N 0 2 361.358 1.637 20 5 FDBDLN CC(C)n1cnc(=NC(=O)C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000593551689 552130938 /nfs/dbraw/zinc/13/09/38/552130938.db2.gz JFVVTLDPMJDTPO-UHFFFAOYSA-N 0 2 374.401 1.845 20 5 FDBDLN CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])no1 ZINC000594776248 552380339 /nfs/dbraw/zinc/38/03/39/552380339.db2.gz WVGSQNJJBWYWBN-SECBINFHSA-N 0 2 371.375 1.337 20 5 FDBDLN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOC1 ZINC000598156984 552869966 /nfs/dbraw/zinc/86/99/66/552869966.db2.gz GHMJVAKHUOGHHZ-MRXNPFEDSA-N 0 2 352.343 1.531 20 5 FDBDLN O=C1CCc2cc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cc3c2N1CC3 ZINC000600668717 553297094 /nfs/dbraw/zinc/29/70/94/553297094.db2.gz UNRLIZBIDLPUKA-UHFFFAOYSA-N 0 2 374.378 1.048 20 5 FDBDLN COc1ccc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000604107551 553842403 /nfs/dbraw/zinc/84/24/03/553842403.db2.gz HBVGKZHKBANEKF-UHFFFAOYSA-N 0 2 373.372 1.079 20 5 FDBDLN COc1ccc(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1[N+](=O)[O-] ZINC000609548235 554392010 /nfs/dbraw/zinc/39/20/10/554392010.db2.gz YZXXEJUBIOSGFD-UHFFFAOYSA-N 0 2 370.321 1.877 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccn(C)n2)cc([N+](=O)[O-])c1C ZINC000609700544 554413175 /nfs/dbraw/zinc/41/31/75/554413175.db2.gz SVIXJCGFRIXEPJ-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000619581146 555803417 /nfs/dbraw/zinc/80/34/17/555803417.db2.gz UZMMEJUNSJZUSE-UHFFFAOYSA-N 0 2 366.355 1.429 20 5 FDBDLN O=C(NCc1nc(CN2CCCCC2)no1)c1ccc([N+](=O)[O-])cc1O ZINC000619879706 555848619 /nfs/dbraw/zinc/84/86/19/555848619.db2.gz SSAWGRZSNGVGLE-UHFFFAOYSA-N 0 2 361.358 1.599 20 5 FDBDLN COc1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000436671252 568260827 /nfs/dbraw/zinc/26/08/27/568260827.db2.gz UZEBUUSVVPPZHD-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN O=C(NCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436689677 568279940 /nfs/dbraw/zinc/27/99/40/568279940.db2.gz XCNRCURQJRWFFZ-UHFFFAOYSA-N 0 2 355.148 1.689 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000739587159 601973639 /nfs/dbraw/zinc/97/36/39/601973639.db2.gz UIPKTEGFHKBVJE-CQSZACIVSA-N 0 2 362.386 1.558 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000739587159 601973641 /nfs/dbraw/zinc/97/36/41/601973641.db2.gz UIPKTEGFHKBVJE-CQSZACIVSA-N 0 2 362.386 1.558 20 5 FDBDLN C[C@](CNC(=O)[O-])(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000738927307 602440242 /nfs/dbraw/zinc/44/02/42/602440242.db2.gz XUMGKEQHLSTAQI-QGZVFWFLSA-N 0 2 373.369 1.947 20 5 FDBDLN O=C([O-])N1CC[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC000740500035 603325851 /nfs/dbraw/zinc/32/58/51/603325851.db2.gz OJXJPPHFKDKGMK-NSHDSACASA-N 0 2 368.415 1.414 20 5 FDBDLN C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000828114681 603537719 /nfs/dbraw/zinc/53/77/19/603537719.db2.gz KMVKPTNPTPWAJL-JTQLQIEISA-N 0 2 356.766 1.871 20 5 FDBDLN C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000828114681 603537722 /nfs/dbraw/zinc/53/77/22/603537722.db2.gz KMVKPTNPTPWAJL-JTQLQIEISA-N 0 2 356.766 1.871 20 5 FDBDLN CS(=O)(=O)CC[NH+]1CCC(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833737386 605184994 /nfs/dbraw/zinc/18/49/94/605184994.db2.gz BTCHLSJOUFOIHR-UHFFFAOYSA-N 0 2 371.415 1.214 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCc1cn[nH]c1C ZINC000288806089 676057153 /nfs/dbraw/zinc/05/71/53/676057153.db2.gz ABPJNXLWKCEJPO-UHFFFAOYSA-N 0 2 354.388 1.546 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000325092008 676573153 /nfs/dbraw/zinc/57/31/53/676573153.db2.gz MASPRDWGHJYWOD-UHFFFAOYSA-N 0 2 371.396 1.876 20 5 FDBDLN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000376461051 678310983 /nfs/dbraw/zinc/31/09/83/678310983.db2.gz KROZOONOIMTNBR-ZETCQYMHSA-N 0 2 373.416 1.268 20 5 FDBDLN CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436530091 681703276 /nfs/dbraw/zinc/70/32/76/681703276.db2.gz MOGJJKMZHIBFOV-ZDUSSCGKSA-N 0 2 351.359 1.010 20 5 FDBDLN COc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874156 681740106 /nfs/dbraw/zinc/74/01/06/681740106.db2.gz ZOIWOHUXWAYYHF-UHFFFAOYSA-N 0 2 367.339 1.209 20 5 FDBDLN CC(C)OCCOC[C@H](O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436990612 681752008 /nfs/dbraw/zinc/75/20/08/681752008.db2.gz RDGKDWHPBIIFND-CYBMUJFWSA-N 0 2 356.375 1.175 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000446780548 682513644 /nfs/dbraw/zinc/51/36/44/682513644.db2.gz LHQKJSVLXVQJQW-SECBINFHSA-N 0 2 370.343 1.639 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000475824300 685650483 /nfs/dbraw/zinc/65/04/83/685650483.db2.gz AQIMJXKZMLHVJA-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN CO[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000468867364 684934482 /nfs/dbraw/zinc/93/44/82/684934482.db2.gz HAXQLWQIBWIGPF-SECBINFHSA-N 0 2 360.285 1.980 20 5 FDBDLN CCn1cc(S(=O)(=O)N[C@@](C)(C2CC2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000479131879 685998051 /nfs/dbraw/zinc/99/80/51/685998051.db2.gz PQOHEIZVJVIRFY-JTQLQIEISA-N 0 2 356.326 1.821 20 5 FDBDLN CS(=O)(=O)NCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000498371379 687784309 /nfs/dbraw/zinc/78/43/09/687784309.db2.gz GVOQBDDWTLBGDH-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(C(=O)N2CCOCC2)CC1 ZINC000377809039 792824744 /nfs/dbraw/zinc/82/47/44/792824744.db2.gz KNELHGGYZKAXBO-UHFFFAOYSA-N 0 2 363.370 1.011 20 5 FDBDLN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000516069201 816621335 /nfs/dbraw/zinc/62/13/35/816621335.db2.gz WSHQKHUJDLOVDV-MRVPVSSYSA-N 0 2 367.312 1.645 20 5 FDBDLN COC(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436998577 816849805 /nfs/dbraw/zinc/84/98/05/816849805.db2.gz IFJNMBLOMGSLQW-UHFFFAOYSA-N 0 2 360.322 1.782 20 5 FDBDLN COc1c(F)cc(NC(=[NH2+])SCCS(=O)(=O)[O-])cc1[N+](=O)[O-] ZINC001168090158 828665678 /nfs/dbraw/zinc/66/56/78/828665678.db2.gz DMCWGWVXRMRMFD-UHFFFAOYSA-N 0 2 353.353 1.710 20 5 FDBDLN Cc1ccc(NCCCNC(=O)C[C@@H]2SC(=N)NC2=O)c([N+](=O)[O-])c1 ZINC000742695536 926147664 /nfs/dbraw/zinc/14/76/64/926147664.db2.gz LGACHIHRCWAKGV-LBPRGKRZSA-N 0 2 365.415 1.378 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc([C@@H](C)OC)ns1 ZINC000788211538 932603914 /nfs/dbraw/zinc/60/39/14/932603914.db2.gz DUFRIDHTLFJIOV-SSDOTTSWSA-N 0 2 374.400 1.963 20 5 FDBDLN O=C(Nc1ccc(N2CCNC(=O)C2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000788280314 932636795 /nfs/dbraw/zinc/63/67/95/932636795.db2.gz IZWKCQSAFOHUIV-UHFFFAOYSA-N 0 2 356.338 1.489 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)NCCc2n[nH]c(=S)o2)cc1[N+](=O)[O-] ZINC000843855790 947339719 /nfs/dbraw/zinc/33/97/19/947339719.db2.gz BEJGUXLROGKKTO-UHFFFAOYSA-N 0 2 353.316 1.456 20 5 FDBDLN O=C([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000844300289 947963593 /nfs/dbraw/zinc/96/35/93/947963593.db2.gz JATYQNUSFRECPD-UHFFFAOYSA-N 0 2 369.399 1.009 20 5 FDBDLN CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000854878029 970012305 /nfs/dbraw/zinc/01/23/05/970012305.db2.gz HAMYJNHBRPJSJO-DGCLKSJQSA-N 0 2 367.358 1.010 20 5 FDBDLN C[C@]1(c2cccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2)NC(=O)NC1=O ZINC000776198298 975092471 /nfs/dbraw/zinc/09/24/71/975092471.db2.gz XZRASIISZNVNQI-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN CN(CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc[nH+]1 ZINC001598481656 992161904 /nfs/dbraw/zinc/16/19/04/992161904.db2.gz XAWVVTADNVBDQO-UHFFFAOYSA-N 0 2 358.354 1.944 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000192212370 178102545 /nfs/dbraw/zinc/10/25/45/178102545.db2.gz QEXRSQUOPCAYFH-CQSZACIVSA-N 0 2 373.340 1.970 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000272954209 180834684 /nfs/dbraw/zinc/83/46/84/180834684.db2.gz YDZPXQVXCCYFLI-NSHDSACASA-N 0 2 368.371 1.562 20 5 FDBDLN O=C(NCc1cccc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000274821935 181171064 /nfs/dbraw/zinc/17/10/64/181171064.db2.gz BPZRMJKZHWINIO-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)ccc1[N+](=O)[O-] ZINC000534172423 540331869 /nfs/dbraw/zinc/33/18/69/540331869.db2.gz ZAOIFBXFMXFJMQ-UHFFFAOYSA-N 0 2 352.372 1.626 20 5 FDBDLN COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000537768013 540772291 /nfs/dbraw/zinc/77/22/91/540772291.db2.gz KZJYTHCQUYOQOF-MRXNPFEDSA-N 0 2 373.365 1.995 20 5 FDBDLN CC(C)c1nnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000275494136 181332995 /nfs/dbraw/zinc/33/29/95/181332995.db2.gz KSYYMAROQQMPSI-UHFFFAOYSA-N 0 2 370.343 1.673 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc([N+](=O)[O-])ccc1O ZINC000283720352 182258981 /nfs/dbraw/zinc/25/89/81/182258981.db2.gz VBSLZCZLDUAHEO-NHYWBVRUSA-N 0 2 350.371 1.598 20 5 FDBDLN CCc1nc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000297218242 184246421 /nfs/dbraw/zinc/24/64/21/184246421.db2.gz VRQWKOXXVZNLBR-UHFFFAOYSA-N 0 2 363.758 1.546 20 5 FDBDLN CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000287808755 258745363 /nfs/dbraw/zinc/74/53/63/258745363.db2.gz PSDYZKIKBKYJTL-LBPRGKRZSA-N 0 2 351.359 1.993 20 5 FDBDLN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271317772 258439818 /nfs/dbraw/zinc/43/98/18/258439818.db2.gz WTPUYYOOOWBTHH-LBPRGKRZSA-N 0 2 353.400 1.682 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189968476 258387823 /nfs/dbraw/zinc/38/78/23/258387823.db2.gz CRBFWBPOEAKHQA-UHFFFAOYSA-N 0 2 357.370 1.863 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000368869279 260252742 /nfs/dbraw/zinc/25/27/42/260252742.db2.gz ZPWWJWGWVXXRNX-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000369176889 260308060 /nfs/dbraw/zinc/30/80/60/260308060.db2.gz MMGJTAAJIJBGEN-UHFFFAOYSA-N 0 2 366.403 1.568 20 5 FDBDLN O=C(NCC1CCN(c2ncccn2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000369490390 260376482 /nfs/dbraw/zinc/37/64/82/260376482.db2.gz NWAHFJGFDKDNPI-UHFFFAOYSA-N 0 2 357.370 1.737 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2nccc(-c3cnn(C)c3)n2)ccc1[N+](=O)[O-] ZINC000373368256 261004775 /nfs/dbraw/zinc/00/47/75/261004775.db2.gz GYMZJYWTZJILPE-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN O=C(NCC1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000375480663 261350291 /nfs/dbraw/zinc/35/02/91/261350291.db2.gz GIVOWERVQVTFCO-UHFFFAOYSA-N 0 2 357.370 1.737 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)c(F)c1 ZINC000378451648 262027674 /nfs/dbraw/zinc/02/76/74/262027674.db2.gz KOGIABVILMNEPT-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)c1ccncc1 ZINC000378553793 262044518 /nfs/dbraw/zinc/04/45/18/262044518.db2.gz PVWGXHPRBJEPTK-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2ccnn2CCO)CC1 ZINC000378607121 262053569 /nfs/dbraw/zinc/05/35/69/262053569.db2.gz FTHZQUWZBRUAJV-UHFFFAOYSA-N 0 2 360.370 1.509 20 5 FDBDLN CNC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000047652484 522579395 /nfs/dbraw/zinc/57/93/95/522579395.db2.gz DMJWNTSJKHSUAZ-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)c2ccccc2C1=O ZINC000075284736 522899240 /nfs/dbraw/zinc/89/92/40/522899240.db2.gz CXMPRLOEDOQPSI-SECBINFHSA-N 0 2 355.306 1.924 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000066587261 523121838 /nfs/dbraw/zinc/12/18/38/523121838.db2.gz QKRBKCZINIPGIS-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000054040608 523558956 /nfs/dbraw/zinc/55/89/56/523558956.db2.gz DGVGBOXIZHXLFR-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157863542 524356401 /nfs/dbraw/zinc/35/64/01/524356401.db2.gz PUWFXKAUOOVPGA-HNNXBMFYSA-N 0 2 357.366 1.730 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1F ZINC000122006098 524428769 /nfs/dbraw/zinc/42/87/69/524428769.db2.gz XTZAUFCZZVQIMI-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN CN(C)C(=O)c1cccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000176518265 525133122 /nfs/dbraw/zinc/13/31/22/525133122.db2.gz YCVAWOGZZWSJKJ-UHFFFAOYSA-N 0 2 357.366 1.975 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(-c2ncccn2)n1 ZINC000128577802 525558282 /nfs/dbraw/zinc/55/82/82/525558282.db2.gz NNPFEMMPOZOIBX-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1 ZINC000129697983 525683010 /nfs/dbraw/zinc/68/30/10/525683010.db2.gz HTLCAGYWDNURRX-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000182140801 526070573 /nfs/dbraw/zinc/07/05/73/526070573.db2.gz OVPDSJSBSGCJKJ-JTQLQIEISA-N 0 2 361.276 1.584 20 5 FDBDLN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273214128 537416282 /nfs/dbraw/zinc/41/62/82/537416282.db2.gz LYHZLKGDYNOFRW-VIFPVBQESA-N 0 2 363.399 1.737 20 5 FDBDLN Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000289905644 537622759 /nfs/dbraw/zinc/62/27/59/537622759.db2.gz PVQCOUOIFCUCIY-RXMQYKEDSA-N 0 2 363.758 1.853 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414331389 537782756 /nfs/dbraw/zinc/78/27/56/537782756.db2.gz FKBNSXAUGKKRBO-GFCCVEGCSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414331389 537782762 /nfs/dbraw/zinc/78/27/62/537782762.db2.gz FKBNSXAUGKKRBO-GFCCVEGCSA-N 0 2 371.415 1.398 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000372321808 537920983 /nfs/dbraw/zinc/92/09/83/537920983.db2.gz UAUZFYGKKKHSGM-OAHLLOKOSA-N 0 2 363.370 1.154 20 5 FDBDLN O=c1n2ccccc2nn1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445653144 538247260 /nfs/dbraw/zinc/24/72/60/538247260.db2.gz UNKWTEMBZDSGRL-UHFFFAOYSA-N 0 2 354.282 1.208 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273120 538270310 /nfs/dbraw/zinc/27/03/10/538270310.db2.gz VYPXMLJWXMXHII-MEBBXXQBSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273120 538270314 /nfs/dbraw/zinc/27/03/14/538270314.db2.gz VYPXMLJWXMXHII-MEBBXXQBSA-N 0 2 351.359 1.727 20 5 FDBDLN CCOC(=O)c1cnn2c1nccc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436701063 538413319 /nfs/dbraw/zinc/41/33/19/538413319.db2.gz BLEHAOXQZDAWFU-UHFFFAOYSA-N 0 2 371.309 1.772 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ncccc2NC(C)=O)cc1[N+](=O)[O-] ZINC000488399432 538738377 /nfs/dbraw/zinc/73/83/77/538738377.db2.gz QOBXCRPCIMLOKF-UHFFFAOYSA-N 0 2 366.355 1.758 20 5 FDBDLN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000561044918 545663610 /nfs/dbraw/zinc/66/36/10/545663610.db2.gz YZLYARFBXGMELC-LBPRGKRZSA-N 0 2 356.400 1.730 20 5 FDBDLN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563191185 546438337 /nfs/dbraw/zinc/43/83/37/546438337.db2.gz DUCXXIMNAAQFEX-UHFFFAOYSA-N 0 2 361.314 1.167 20 5 FDBDLN CCOCC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000563888966 546724242 /nfs/dbraw/zinc/72/42/42/546724242.db2.gz IONOQBZCBWRGLL-UHFFFAOYSA-N 0 2 357.794 1.748 20 5 FDBDLN C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-] ZINC000567879527 548305244 /nfs/dbraw/zinc/30/52/44/548305244.db2.gz VFJHKRAJGVVYNE-YPMHNXCESA-N 0 2 358.354 1.963 20 5 FDBDLN CO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000568654686 548627152 /nfs/dbraw/zinc/62/71/52/548627152.db2.gz VNHHJZSSMGHNTB-SWLSCSKDSA-N 0 2 374.353 1.485 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000570809813 549420994 /nfs/dbraw/zinc/42/09/94/549420994.db2.gz NODHJPAFILIGQE-UHFFFAOYSA-N 0 2 360.355 1.435 20 5 FDBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572886567 550017976 /nfs/dbraw/zinc/01/79/76/550017976.db2.gz ULOWATDXSFFRHL-SNVBAGLBSA-N 0 2 361.358 1.837 20 5 FDBDLN NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000574455762 550316816 /nfs/dbraw/zinc/31/68/16/550316816.db2.gz GEJSTXVDNSHSJA-LBPRGKRZSA-N 0 2 363.757 1.780 20 5 FDBDLN CC[C@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577852432 550701848 /nfs/dbraw/zinc/70/18/48/550701848.db2.gz DXXUFLSFEWATKB-NSHDSACASA-N 0 2 357.794 1.794 20 5 FDBDLN CC[C@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577852432 550701850 /nfs/dbraw/zinc/70/18/50/550701850.db2.gz DXXUFLSFEWATKB-NSHDSACASA-N 0 2 357.794 1.794 20 5 FDBDLN CC(C)n1cc(C2=CCCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)nn1 ZINC000578142676 550732827 /nfs/dbraw/zinc/73/28/27/550732827.db2.gz RGXGUOHGJJUYEP-UHFFFAOYSA-N 0 2 371.401 2.064 20 5 FDBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1)C1CCOCC1 ZINC000592381941 551986701 /nfs/dbraw/zinc/98/67/01/551986701.db2.gz AAWQXHLJSOOWFG-CYBMUJFWSA-N 0 2 359.404 1.482 20 5 FDBDLN C[C@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC[C@H]1C(=O)[O-] ZINC000592980660 552051185 /nfs/dbraw/zinc/05/11/85/552051185.db2.gz USASBNPFABQNEX-DZGCQCFKSA-N 0 2 363.414 1.974 20 5 FDBDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594381008 552299324 /nfs/dbraw/zinc/29/93/24/552299324.db2.gz YSCVVAGUNDROHT-LLVKDONJSA-N 0 2 352.265 1.312 20 5 FDBDLN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000597850170 552840543 /nfs/dbraw/zinc/84/05/43/552840543.db2.gz OYCKHQHRTOECQF-INIZCTEOSA-N 0 2 364.398 1.988 20 5 FDBDLN CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)nn1 ZINC000598505470 552903544 /nfs/dbraw/zinc/90/35/44/552903544.db2.gz JHLCRFUPNQQJRV-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN CC1(c2nc(=NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)s[nH]2)CC1 ZINC000600226854 553232560 /nfs/dbraw/zinc/23/25/60/553232560.db2.gz DNDPYGJYXMOULC-UHFFFAOYSA-N 0 2 361.383 1.288 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)n1 ZINC000600666792 553296545 /nfs/dbraw/zinc/29/65/45/553296545.db2.gz FJMBAOAQXPUSMK-UHFFFAOYSA-N 0 2 373.416 1.480 20 5 FDBDLN O=C(NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600679824 553298691 /nfs/dbraw/zinc/29/86/91/553298691.db2.gz BBICTESZVXCION-OAHLLOKOSA-N 0 2 372.381 1.326 20 5 FDBDLN O=C(NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000600679824 553298693 /nfs/dbraw/zinc/29/86/93/553298693.db2.gz BBICTESZVXCION-OAHLLOKOSA-N 0 2 372.381 1.326 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c[nH]1 ZINC000618906869 555694211 /nfs/dbraw/zinc/69/42/11/555694211.db2.gz ZQICJSXLPKNRPL-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000481868390 568144577 /nfs/dbraw/zinc/14/45/77/568144577.db2.gz VGKSACRTTGXWSZ-LBPRGKRZSA-N 0 2 368.371 1.979 20 5 FDBDLN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436640516 568177972 /nfs/dbraw/zinc/17/79/72/568177972.db2.gz IWAUIGFJSNGUFH-SNVBAGLBSA-N 0 2 359.313 1.975 20 5 FDBDLN CCOc1ccc(NC(=O)C[NH+]2CCC(C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000262673136 596923924 /nfs/dbraw/zinc/92/39/24/596923924.db2.gz SJTSTOLPAGYJKR-UHFFFAOYSA-N 0 2 351.359 1.729 20 5 FDBDLN C[C@@H](NC(=O)c1ccc(N2CCc3c([nH+]cn3C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658151 599968620 /nfs/dbraw/zinc/96/86/20/599968620.db2.gz YNDCHHXFASAIMY-SNVBAGLBSA-N 0 2 373.369 1.094 20 5 FDBDLN CN(C(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000830485686 601018815 /nfs/dbraw/zinc/01/88/15/601018815.db2.gz MXGUKHAJIFIBBF-CYBMUJFWSA-N 0 2 353.400 1.450 20 5 FDBDLN CN(C(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000830485686 601018820 /nfs/dbraw/zinc/01/88/20/601018820.db2.gz MXGUKHAJIFIBBF-CYBMUJFWSA-N 0 2 353.400 1.450 20 5 FDBDLN O=C([O-])CC[N@@H+](Cc1ccncc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833235047 601561247 /nfs/dbraw/zinc/56/12/47/601561247.db2.gz WTHYOJKQXQDXFS-UHFFFAOYSA-N 0 2 372.337 1.832 20 5 FDBDLN O=C([O-])CC[N@H+](Cc1ccncc1)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000833235047 601561250 /nfs/dbraw/zinc/56/12/50/601561250.db2.gz WTHYOJKQXQDXFS-UHFFFAOYSA-N 0 2 372.337 1.832 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641242 601979951 /nfs/dbraw/zinc/97/99/51/601979951.db2.gz ZJQPNBGMJORXBK-RYUDHWBXSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641242 601979952 /nfs/dbraw/zinc/97/99/52/601979952.db2.gz ZJQPNBGMJORXBK-RYUDHWBXSA-N 0 2 350.375 1.996 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739871842 602795596 /nfs/dbraw/zinc/79/55/96/602795596.db2.gz OEUSDVWZCRMMBA-PWSUYJOCSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000739871842 602795599 /nfs/dbraw/zinc/79/55/99/602795599.db2.gz OEUSDVWZCRMMBA-PWSUYJOCSA-N 0 2 366.374 1.520 20 5 FDBDLN CN(C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828212832 603142200 /nfs/dbraw/zinc/14/22/00/603142200.db2.gz VGDVQQQFOWTCJF-ZDUSSCGKSA-N 0 2 373.369 1.995 20 5 FDBDLN CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273256346 674521007 /nfs/dbraw/zinc/52/10/07/674521007.db2.gz SJBACGBXNZHFAX-LLVKDONJSA-N 0 2 353.400 1.730 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829453373 603583980 /nfs/dbraw/zinc/58/39/80/603583980.db2.gz FHIKLILTEDVXKA-NSHDSACASA-N 0 2 366.374 1.616 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829453373 603583985 /nfs/dbraw/zinc/58/39/85/603583985.db2.gz FHIKLILTEDVXKA-NSHDSACASA-N 0 2 366.374 1.616 20 5 FDBDLN CN(C(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000827764230 603973405 /nfs/dbraw/zinc/97/34/05/603973405.db2.gz ACZARPBJGDQTIQ-HIFRSBDPSA-N 0 2 362.386 1.774 20 5 FDBDLN CN(C(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000827764230 603973410 /nfs/dbraw/zinc/97/34/10/603973410.db2.gz ACZARPBJGDQTIQ-HIFRSBDPSA-N 0 2 362.386 1.774 20 5 FDBDLN CN(CCCn1cc[nH+]c1)c1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-] ZINC000830781245 604644755 /nfs/dbraw/zinc/64/47/55/604644755.db2.gz RGRYATREEUZOEY-UHFFFAOYSA-N 0 2 361.358 1.132 20 5 FDBDLN NC(=O)c1ccc(C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])c1 ZINC000833762546 604845114 /nfs/dbraw/zinc/84/51/14/604845114.db2.gz OLKXPJSOTVWPEE-UHFFFAOYSA-N 0 2 355.350 1.950 20 5 FDBDLN NC(=O)c1ccc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c([N+](=O)[O-])c1 ZINC000833762546 604845117 /nfs/dbraw/zinc/84/51/17/604845117.db2.gz OLKXPJSOTVWPEE-UHFFFAOYSA-N 0 2 355.350 1.950 20 5 FDBDLN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835294 605363799 /nfs/dbraw/zinc/36/37/99/605363799.db2.gz XHOMZSONQNBNBZ-NWDGAFQWSA-N 0 2 371.415 1.347 20 5 FDBDLN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835294 605363803 /nfs/dbraw/zinc/36/38/03/605363803.db2.gz XHOMZSONQNBNBZ-NWDGAFQWSA-N 0 2 371.415 1.347 20 5 FDBDLN O=C([O-])NC1CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000834188748 605955268 /nfs/dbraw/zinc/95/52/68/605955268.db2.gz BSIZGDOUUWKSKT-UHFFFAOYSA-N 0 2 363.374 1.526 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)c(F)c1 ZINC000363983915 676982916 /nfs/dbraw/zinc/98/29/16/676982916.db2.gz FOPISEULDAKWKP-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000365540244 677362524 /nfs/dbraw/zinc/36/25/24/677362524.db2.gz ZVYUFOBZBBBURY-LJWDBELGSA-N 0 2 351.790 1.914 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000367705151 677494920 /nfs/dbraw/zinc/49/49/20/677494920.db2.gz MNYYEXNNJODMSQ-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)s1 ZINC000371982389 677820737 /nfs/dbraw/zinc/82/07/37/677820737.db2.gz ABBKYISKDQRNQC-UHFFFAOYSA-N 0 2 352.357 1.433 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNc1nc(C2CC2)ns1 ZINC000426899877 680963557 /nfs/dbraw/zinc/96/35/57/680963557.db2.gz ZVBNNAKCXDPVNY-UHFFFAOYSA-N 0 2 369.428 1.136 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c[nH]1 ZINC000438782899 681879296 /nfs/dbraw/zinc/87/92/96/681879296.db2.gz CUPZEDCFRVHRST-UHFFFAOYSA-N 0 2 355.328 1.519 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000535654053 694907829 /nfs/dbraw/zinc/90/78/29/694907829.db2.gz DRVJDSMWXAIVIP-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377823989 792861610 /nfs/dbraw/zinc/86/16/10/792861610.db2.gz OBBQOHJNRIBBDP-ZDUSSCGKSA-N 0 2 359.313 1.975 20 5 FDBDLN O=C(NCc1ccccc1Cn1cncn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505400784 815510295 /nfs/dbraw/zinc/51/02/95/815510295.db2.gz AFXQXENEELUIPD-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1N1C(=O)CNC1=O ZINC000436923208 816796110 /nfs/dbraw/zinc/79/61/10/816796110.db2.gz SGZFKOIDBKFYFQ-UHFFFAOYSA-N 0 2 370.321 1.917 20 5 FDBDLN O=C(Cc1cccc(F)c1)NCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436962914 816810643 /nfs/dbraw/zinc/81/06/43/816810643.db2.gz FSLOUDBCZVAVAB-UHFFFAOYSA-N 0 2 361.329 1.528 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(-n3cnnn3)c2)c([N+](=O)[O-])c1 ZINC000486743038 855341037 /nfs/dbraw/zinc/34/10/37/855341037.db2.gz AGCZNQZWCWVPED-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C ZINC000765990646 878326204 /nfs/dbraw/zinc/32/62/04/878326204.db2.gz UWSSKMJBZBOZCU-UHFFFAOYSA-N 0 2 358.351 1.952 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)c(F)c1 ZINC000921864147 892211706 /nfs/dbraw/zinc/21/17/06/892211706.db2.gz ZSSDASFVWVYVDB-HQJQHLMTSA-N 0 2 372.296 1.980 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000764569834 905039741 /nfs/dbraw/zinc/03/97/41/905039741.db2.gz WUOUIPTWXMOMQB-UHFFFAOYSA-N 0 2 368.353 1.171 20 5 FDBDLN O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[N-]OCc1ccccc1 ZINC000772175150 931100013 /nfs/dbraw/zinc/10/00/13/931100013.db2.gz OWJUXNFWEWAXKI-UHFFFAOYSA-N 0 2 371.397 1.360 20 5 FDBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848375954 976703561 /nfs/dbraw/zinc/70/35/61/976703561.db2.gz JGZPWSHDRHUSLG-ZMSDIMECSA-N 0 2 372.425 1.891 20 5 FDBDLN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848375954 976703568 /nfs/dbraw/zinc/70/35/68/976703568.db2.gz JGZPWSHDRHUSLG-ZMSDIMECSA-N 0 2 372.425 1.891 20 5 FDBDLN O=C(NCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccccc21)C(F)(F)F ZINC000871317161 986899283 /nfs/dbraw/zinc/89/92/83/986899283.db2.gz MVBQUECDSXEECY-UFGOTCBOSA-N 0 2 371.315 1.851 20 5 FDBDLN Cn1nccc1NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 ZINC000777667755 1001329334 /nfs/dbraw/zinc/32/93/34/1001329334.db2.gz QEKICHRDUOSWJV-UHFFFAOYSA-N 0 2 367.343 1.086 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000191794527 178070019 /nfs/dbraw/zinc/07/00/19/178070019.db2.gz KWTASQYXGIACQT-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000509232546 538945640 /nfs/dbraw/zinc/94/56/40/538945640.db2.gz DMGKPZFLOCFDMG-UHFFFAOYSA-N 0 2 355.350 1.615 20 5 FDBDLN Cc1cc(=NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])[nH]nc1C ZINC000524513549 539649383 /nfs/dbraw/zinc/64/93/83/539649383.db2.gz OXHRJNXCEJQNLZ-UHFFFAOYSA-N 0 2 361.383 1.831 20 5 FDBDLN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274651732 181138930 /nfs/dbraw/zinc/13/89/30/181138930.db2.gz DQRXSLUROJODDQ-GWCFXTLKSA-N 0 2 367.427 1.976 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000274766934 181162158 /nfs/dbraw/zinc/16/21/58/181162158.db2.gz YQGLLYHJRZNPCV-OCCSQVGLSA-N 0 2 356.400 1.728 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000542713027 541452303 /nfs/dbraw/zinc/45/23/03/541452303.db2.gz ZGZHALSRNQOQOD-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN O=C(Nc1cc2n(n1)CCCC2)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000286351294 183046101 /nfs/dbraw/zinc/04/61/01/183046101.db2.gz CRXSIKVGSGNLRR-UHFFFAOYSA-N 0 2 353.342 1.961 20 5 FDBDLN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286392675 183055303 /nfs/dbraw/zinc/05/53/03/183055303.db2.gz JJIIAFGOBGKVSZ-GFCCVEGCSA-N 0 2 363.292 1.293 20 5 FDBDLN COc1nccc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)n1 ZINC000295793293 184105046 /nfs/dbraw/zinc/10/50/46/184105046.db2.gz RSJOSDDYSNAKLZ-MRXNPFEDSA-N 0 2 357.326 1.361 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297010479 184225194 /nfs/dbraw/zinc/22/51/94/184225194.db2.gz ROJLXJASWJRSPD-UHFFFAOYSA-N 0 2 373.325 1.566 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000570579534 549333325 /nfs/dbraw/zinc/33/33/25/549333325.db2.gz AMJZWHLNEGOUPC-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000188123838 258386021 /nfs/dbraw/zinc/38/60/21/258386021.db2.gz YZMQFEQERRJHMW-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN Cn1ncc2c1nccc2NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000556177274 544113283 /nfs/dbraw/zinc/11/32/83/544113283.db2.gz PCLUXAULHUYBHS-UHFFFAOYSA-N 0 2 367.774 1.704 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367539262 260057564 /nfs/dbraw/zinc/05/75/64/260057564.db2.gz YAINOFWBBITJQS-HNNXBMFYSA-N 0 2 373.340 1.970 20 5 FDBDLN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c(-n2cncn2)n1 ZINC000373745466 261036284 /nfs/dbraw/zinc/03/62/84/261036284.db2.gz PXTVNYCSJAXSTC-UHFFFAOYSA-N 0 2 354.326 1.515 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)c1C ZINC000378452198 262027556 /nfs/dbraw/zinc/02/75/56/262027556.db2.gz LQLOGHFHVQTGIS-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CNC(=O)Cn1nc(Nc2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])cc1C ZINC000519840569 490097083 /nfs/dbraw/zinc/09/70/83/490097083.db2.gz HUUGDXHHJNARER-UHFFFAOYSA-N 0 2 362.346 1.079 20 5 FDBDLN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000035677601 519612231 /nfs/dbraw/zinc/61/22/31/519612231.db2.gz XETJEUCHRVKYBK-LBPRGKRZSA-N 0 2 367.383 1.665 20 5 FDBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000158723642 524516925 /nfs/dbraw/zinc/51/69/25/524516925.db2.gz AUWHKZSAHUXIPG-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000175832050 525015680 /nfs/dbraw/zinc/01/56/80/525015680.db2.gz PHKLNCMVDRETBO-SECBINFHSA-N 0 2 354.326 1.623 20 5 FDBDLN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408690 525256968 /nfs/dbraw/zinc/25/69/68/525256968.db2.gz IAEWAKUMPXBWOZ-MRXNPFEDSA-N 0 2 362.430 1.212 20 5 FDBDLN CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263203313 536991856 /nfs/dbraw/zinc/99/18/56/536991856.db2.gz YUAVEDFHIIQZSE-CHWSQXEVSA-N 0 2 374.353 1.485 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000265880361 537178117 /nfs/dbraw/zinc/17/81/17/537178117.db2.gz PMHTWKYNGUKOOP-UHFFFAOYSA-N 0 2 357.248 1.567 20 5 FDBDLN CC1=C(C(=O)N(C)C)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1C ZINC000298733851 537293159 /nfs/dbraw/zinc/29/31/59/537293159.db2.gz OVFRSNMMEXQUBW-CYBMUJFWSA-N 0 2 350.400 1.524 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000278344258 537305534 /nfs/dbraw/zinc/30/55/34/537305534.db2.gz HVHORWFGSZXSTB-UHFFFAOYSA-N 0 2 356.360 1.878 20 5 FDBDLN COCCn1cc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000272793682 537341966 /nfs/dbraw/zinc/34/19/66/537341966.db2.gz CUBDVTDPTDTUBJ-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN CCc1nc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000270597793 537360600 /nfs/dbraw/zinc/36/06/00/537360600.db2.gz VCFKUZZZCQBAIA-SSDOTTSWSA-N 0 2 359.795 1.968 20 5 FDBDLN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000428060612 538265980 /nfs/dbraw/zinc/26/59/80/538265980.db2.gz FEMVGNAGDNAVSG-UHFFFAOYSA-N 0 2 351.359 1.010 20 5 FDBDLN O=C(N[C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560623757 545559281 /nfs/dbraw/zinc/55/92/81/545559281.db2.gz USKQMQZKIAJSRO-OAHLLOKOSA-N 0 2 370.365 1.616 20 5 FDBDLN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000561044914 545663525 /nfs/dbraw/zinc/66/35/25/545663525.db2.gz YZLYARFBXGMELC-GFCCVEGCSA-N 0 2 356.400 1.730 20 5 FDBDLN COCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000561113078 545690526 /nfs/dbraw/zinc/69/05/26/545690526.db2.gz REUJVYVXLSPBNI-UHFFFAOYSA-N 0 2 359.338 1.929 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cnccc2NC(C)=O)ccc1[N+](=O)[O-] ZINC000562577757 546184212 /nfs/dbraw/zinc/18/42/12/546184212.db2.gz QNFVNFWQZMFRII-UHFFFAOYSA-N 0 2 366.355 1.180 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000565835954 547501912 /nfs/dbraw/zinc/50/19/12/547501912.db2.gz KWBCYZQHWWVJMN-HNNXBMFYSA-N 0 2 368.415 1.308 20 5 FDBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566229448 547671812 /nfs/dbraw/zinc/67/18/12/547671812.db2.gz SAEURFRJVSNDMS-ZDUSSCGKSA-N 0 2 352.372 1.981 20 5 FDBDLN COc1ccc(NC(=O)[C@@H](C)Sc2n[n-]c(=[NH2+])n2C)c([N+](=O)[O-])c1 ZINC000568531785 548577987 /nfs/dbraw/zinc/57/79/87/548577987.db2.gz OOLFHFWBPDARTJ-SSDOTTSWSA-N 0 2 352.376 1.433 20 5 FDBDLN CC[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577852427 550701934 /nfs/dbraw/zinc/70/19/34/550701934.db2.gz DXXUFLSFEWATKB-LLVKDONJSA-N 0 2 357.794 1.794 20 5 FDBDLN CC[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000577852427 550701936 /nfs/dbraw/zinc/70/19/36/550701936.db2.gz DXXUFLSFEWATKB-LLVKDONJSA-N 0 2 357.794 1.794 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C)nc2ncnn21 ZINC000585723496 551587755 /nfs/dbraw/zinc/58/77/55/551587755.db2.gz XWMJFQHKAQKRSK-UHFFFAOYSA-N 0 2 364.343 1.150 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c[nH]1 ZINC000585730945 551589427 /nfs/dbraw/zinc/58/94/27/551589427.db2.gz RMWLHUDCGGSAKC-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN NS(=O)(=O)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000586770000 551617015 /nfs/dbraw/zinc/61/70/15/551617015.db2.gz DLEWZGYALIUFTQ-UHFFFAOYSA-N 0 2 365.367 1.019 20 5 FDBDLN O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000588852512 551693152 /nfs/dbraw/zinc/69/31/52/551693152.db2.gz DWKKJEHJEIUFIB-UHFFFAOYSA-N 0 2 357.282 1.545 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589923933 551751971 /nfs/dbraw/zinc/75/19/71/551751971.db2.gz XAQRCDUBYFXLIA-RDDDGLTNSA-N 0 2 372.296 1.858 20 5 FDBDLN O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)C1 ZINC000593287770 552083438 /nfs/dbraw/zinc/08/34/38/552083438.db2.gz CWRRITHIIBWVCA-NSHDSACASA-N 0 2 365.361 1.631 20 5 FDBDLN O=C([O-])C1CCN(C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000593731795 552185951 /nfs/dbraw/zinc/18/59/51/552185951.db2.gz CDASWUREVMRQMP-UHFFFAOYSA-N 0 2 361.398 1.882 20 5 FDBDLN O=C([O-])C1CCN(C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000593731795 552185952 /nfs/dbraw/zinc/18/59/52/552185952.db2.gz CDASWUREVMRQMP-UHFFFAOYSA-N 0 2 361.398 1.882 20 5 FDBDLN CCc1ccc([C@@H](COC)NS(=O)(=O)c2ncccc2[N+](=O)[O-])o1 ZINC000594756935 552372533 /nfs/dbraw/zinc/37/25/33/552372533.db2.gz DWWZINZLBDXDOE-LLVKDONJSA-N 0 2 355.372 1.811 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597853655 552841018 /nfs/dbraw/zinc/84/10/18/552841018.db2.gz VDNDPYVXBYHNAC-LBPRGKRZSA-N 0 2 352.343 1.483 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000597853653 552841066 /nfs/dbraw/zinc/84/10/66/552841066.db2.gz VDNDPYVXBYHNAC-GFCCVEGCSA-N 0 2 352.343 1.483 20 5 FDBDLN CS(=O)(=O)C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000598203420 552875393 /nfs/dbraw/zinc/87/53/93/552875393.db2.gz CORBLJXWYNLANQ-UHFFFAOYSA-N 0 2 356.400 1.778 20 5 FDBDLN Cc1nn(CCC(=O)N=c2nc(C3(C)CC3)[nH]s2)c(C)c1[N+](=O)[O-] ZINC000600228431 553233143 /nfs/dbraw/zinc/23/31/43/553233143.db2.gz XXIZYTFYGCAPHQ-UHFFFAOYSA-N 0 2 350.404 1.762 20 5 FDBDLN CC(C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])c2C1 ZINC000600668781 553297144 /nfs/dbraw/zinc/29/71/44/553297144.db2.gz VSFSIRRMETXGPJ-UHFFFAOYSA-N 0 2 365.415 1.853 20 5 FDBDLN CC(C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3nn(C)cc3[N+](=O)[O-])c2C1 ZINC000600668781 553297145 /nfs/dbraw/zinc/29/71/45/553297145.db2.gz VSFSIRRMETXGPJ-UHFFFAOYSA-N 0 2 365.415 1.853 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000600710220 553305671 /nfs/dbraw/zinc/30/56/71/553305671.db2.gz UJYNBVVSDJYCPC-INIZCTEOSA-N 0 2 351.359 1.871 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000600710220 553305672 /nfs/dbraw/zinc/30/56/72/553305672.db2.gz UJYNBVVSDJYCPC-INIZCTEOSA-N 0 2 351.359 1.871 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000610034519 554451721 /nfs/dbraw/zinc/45/17/21/554451721.db2.gz OBMKQLUENWOHKX-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CN(C)c1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000610471186 554514451 /nfs/dbraw/zinc/51/44/51/554514451.db2.gz MJICPSZQDKXAKM-UHFFFAOYSA-N 0 2 360.392 1.735 20 5 FDBDLN COCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613934753 554987029 /nfs/dbraw/zinc/98/70/29/554987029.db2.gz ITIWCHCDTVKMLJ-UHFFFAOYSA-N 0 2 354.359 1.731 20 5 FDBDLN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436640285 568195649 /nfs/dbraw/zinc/19/56/49/568195649.db2.gz UZOBYISYBMHWTA-JTQLQIEISA-N 0 2 366.355 1.109 20 5 FDBDLN CCc1nn(Cc2cccc([N+](=O)[O-])c2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736707003 598378190 /nfs/dbraw/zinc/37/81/90/598378190.db2.gz OHVJIUNSQVIBAT-UHFFFAOYSA-N 0 2 355.358 1.505 20 5 FDBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641105 601981681 /nfs/dbraw/zinc/98/16/81/601981681.db2.gz XJMCQTSAVLWHAA-RISCZKNCSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641105 601981682 /nfs/dbraw/zinc/98/16/82/601981682.db2.gz XJMCQTSAVLWHAA-RISCZKNCSA-N 0 2 350.375 1.996 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740174944 602767842 /nfs/dbraw/zinc/76/78/42/602767842.db2.gz POZYTWSBQGEOEN-NEPJUHHUSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740174944 602767845 /nfs/dbraw/zinc/76/78/45/602767845.db2.gz POZYTWSBQGEOEN-NEPJUHHUSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740174948 602767876 /nfs/dbraw/zinc/76/78/76/602767876.db2.gz POZYTWSBQGEOEN-RYUDHWBXSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740174948 602767878 /nfs/dbraw/zinc/76/78/78/602767878.db2.gz POZYTWSBQGEOEN-RYUDHWBXSA-N 0 2 350.375 1.820 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739871840 602795441 /nfs/dbraw/zinc/79/54/41/602795441.db2.gz OEUSDVWZCRMMBA-CMPLNLGQSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000739871840 602795442 /nfs/dbraw/zinc/79/54/42/602795442.db2.gz OEUSDVWZCRMMBA-CMPLNLGQSA-N 0 2 366.374 1.520 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000827870693 603501913 /nfs/dbraw/zinc/50/19/13/603501913.db2.gz DWXRERKVGOGOLQ-LBPRGKRZSA-N 0 2 359.342 1.605 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263364 604225377 /nfs/dbraw/zinc/22/53/77/604225377.db2.gz GHNNQALNBHJHMS-RYUDHWBXSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263364 604225378 /nfs/dbraw/zinc/22/53/78/604225378.db2.gz GHNNQALNBHJHMS-RYUDHWBXSA-N 0 2 350.375 1.901 20 5 FDBDLN CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827423666 604402459 /nfs/dbraw/zinc/40/24/59/604402459.db2.gz SFAMAMOBWFFDCU-GFCCVEGCSA-N 0 2 366.374 1.017 20 5 FDBDLN CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827423666 604402460 /nfs/dbraw/zinc/40/24/60/604402460.db2.gz SFAMAMOBWFFDCU-GFCCVEGCSA-N 0 2 366.374 1.017 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](CNC(=O)[O-])C1 ZINC000828506462 604403047 /nfs/dbraw/zinc/40/30/47/604403047.db2.gz INRZJIJOJPWCBO-LLVKDONJSA-N 0 2 361.358 1.100 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](CNC(=O)[O-])C1 ZINC000828506462 604403048 /nfs/dbraw/zinc/40/30/48/604403048.db2.gz INRZJIJOJPWCBO-LLVKDONJSA-N 0 2 361.358 1.100 20 5 FDBDLN O=C([O-])NC1CC[NH+](CC(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000834188951 605545370 /nfs/dbraw/zinc/54/53/70/605545370.db2.gz FVJCLKROCDCTQS-UHFFFAOYSA-N 0 2 362.346 1.142 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000833907371 606087407 /nfs/dbraw/zinc/08/74/07/606087407.db2.gz HTYXNDHLBMCOMS-LBPRGKRZSA-N 0 2 365.390 1.627 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000833907371 606087411 /nfs/dbraw/zinc/08/74/11/606087411.db2.gz HTYXNDHLBMCOMS-LBPRGKRZSA-N 0 2 365.390 1.627 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000278124788 675096549 /nfs/dbraw/zinc/09/65/49/675096549.db2.gz BKTNHCWQANWIRS-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000327920622 676596304 /nfs/dbraw/zinc/59/63/04/676596304.db2.gz CVZMIFPCLFTVEP-UHFFFAOYSA-N 0 2 368.371 1.960 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1C(N)=O ZINC000463468668 684694237 /nfs/dbraw/zinc/69/42/37/684694237.db2.gz BMDZVGFXVJKRNR-UHFFFAOYSA-N 0 2 350.356 1.506 20 5 FDBDLN CC(C)S(=O)(=O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490371203 687141172 /nfs/dbraw/zinc/14/11/72/687141172.db2.gz RBKJMHHQJOLTTL-UHFFFAOYSA-N 0 2 353.360 1.142 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2nncs2)cc([N+](=O)[O-])c1C ZINC000535138262 694901653 /nfs/dbraw/zinc/90/16/53/694901653.db2.gz OUUYUJQNULSQAR-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2n(n1)CCCO2 ZINC000432507506 808646763 /nfs/dbraw/zinc/64/67/63/808646763.db2.gz SJUQXIMRBIIAAE-UHFFFAOYSA-N 0 2 355.314 1.611 20 5 FDBDLN O=C(NCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436950970 816803308 /nfs/dbraw/zinc/80/33/08/816803308.db2.gz QNHALVINXHYIBL-UHFFFAOYSA-N 0 2 355.306 1.326 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000445003396 828234094 /nfs/dbraw/zinc/23/40/94/828234094.db2.gz HJDADLILYUUSJR-UHFFFAOYSA-N 0 2 363.377 1.868 20 5 FDBDLN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490581210 861613752 /nfs/dbraw/zinc/61/37/52/861613752.db2.gz CENYEFJAHMZHIC-VXGBXAGGSA-N 0 2 361.354 1.804 20 5 FDBDLN Cc1ccc2n[nH]c(C(=O)N3CCCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)c2c1 ZINC000941011537 893629018 /nfs/dbraw/zinc/62/90/18/893629018.db2.gz CFDWZCUFQFPGFK-UKRRQHHQSA-N 0 2 371.397 1.211 20 5 FDBDLN N=C1NC(=O)[C@H](CC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)S1 ZINC000742696389 926147247 /nfs/dbraw/zinc/14/72/47/926147247.db2.gz WGUQGNGLNIRIEZ-LBPRGKRZSA-N 0 2 350.400 1.590 20 5 FDBDLN CCOC(=O)c1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C(=O)OCC ZINC001132514953 941073149 /nfs/dbraw/zinc/07/31/49/941073149.db2.gz KRUSMUYYWGVDPW-VXNVDRBHSA-N 0 2 356.356 1.705 20 5 FDBDLN O=C(N1CCC(c2n[nH]c(=O)[nH]2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000843875531 947360236 /nfs/dbraw/zinc/36/02/36/947360236.db2.gz PYMQBSOAUGACKI-UHFFFAOYSA-N 0 2 367.312 1.917 20 5 FDBDLN C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845437827 949207560 /nfs/dbraw/zinc/20/75/60/949207560.db2.gz DYASRAAVVLNWBH-NSHDSACASA-N 0 2 352.372 1.389 20 5 FDBDLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000775256763 967004537 /nfs/dbraw/zinc/00/45/37/967004537.db2.gz NXBOAZUCNGXTTK-UHFFFAOYSA-N 0 2 353.356 1.995 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000776536273 978983762 /nfs/dbraw/zinc/98/37/62/978983762.db2.gz KEGSJDDHEUZWKA-UHFFFAOYSA-N 0 2 363.399 1.839 20 5 FDBDLN C[C@](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009003 980233607 /nfs/dbraw/zinc/23/36/07/980233607.db2.gz MCMBXKKZUQHZHW-PIGZYNQJSA-N 0 2 358.354 1.470 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000857664419 981626809 /nfs/dbraw/zinc/62/68/09/981626809.db2.gz CYUZHFJTFNWCBP-UHFFFAOYSA-N 0 2 368.353 1.349 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)c1C ZINC000367701917 988962059 /nfs/dbraw/zinc/96/20/59/988962059.db2.gz APVDQIXMCUGWAH-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1c(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000364329466 989539058 /nfs/dbraw/zinc/53/90/58/989539058.db2.gz RJVZNYDGDLCKAO-UHFFFAOYSA-N 0 2 362.474 1.743 20 5 FDBDLN CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000956366931 1008050310 /nfs/dbraw/zinc/05/03/10/1008050310.db2.gz QEMNIHWBHDFHBH-LDYMZIIASA-N 0 2 371.344 1.123 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccccc2S(N)(=O)=O)cccc1[N+](=O)[O-] ZINC000537654073 540757548 /nfs/dbraw/zinc/75/75/48/540757548.db2.gz PMMDFDITHXNZII-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000538387737 540852062 /nfs/dbraw/zinc/85/20/62/540852062.db2.gz UPBNWJJPAPZNTN-LLVKDONJSA-N 0 2 350.302 1.609 20 5 FDBDLN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000542516001 541418734 /nfs/dbraw/zinc/41/87/34/541418734.db2.gz HXMFUHIGRPKHFU-UHFFFAOYSA-N 0 2 359.294 1.398 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000543445932 541593116 /nfs/dbraw/zinc/59/31/16/541593116.db2.gz MHIQTFIHRYLXSD-UHFFFAOYSA-N 0 2 359.310 1.856 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000544684707 541810114 /nfs/dbraw/zinc/81/01/14/541810114.db2.gz PAQCODGAGCTMHF-UHFFFAOYSA-N 0 2 360.355 1.555 20 5 FDBDLN CC(=O)N(c1nc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cs1)C1CC1 ZINC000287058230 183204788 /nfs/dbraw/zinc/20/47/88/183204788.db2.gz JDSMXKBRZNISTO-GORDUTHDSA-N 0 2 363.355 1.938 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccnc3)ns2)cc1 ZINC000549825689 542949528 /nfs/dbraw/zinc/94/95/28/542949528.db2.gz YKCTUAMLUHAERS-UHFFFAOYSA-N 0 2 363.380 1.731 20 5 FDBDLN Cn1nccc1S(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000551114617 543234365 /nfs/dbraw/zinc/23/43/65/543234365.db2.gz UPVIZYNRURQZDY-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN Cc1nc(Cn2nnc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2C)no1 ZINC000552733729 543510132 /nfs/dbraw/zinc/51/01/32/543510132.db2.gz YXXKSDMJSUFDBK-UHFFFAOYSA-N 0 2 359.302 1.192 20 5 FDBDLN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184684554 258383539 /nfs/dbraw/zinc/38/35/39/258383539.db2.gz OUHOMHHOJOEYPY-AWEZNQCLSA-N 0 2 359.338 1.814 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000278370590 258487476 /nfs/dbraw/zinc/48/74/76/258487476.db2.gz KNWGATUNNXLSIS-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(O)c1[N+](=O)[O-])CC2 ZINC000280707813 258616649 /nfs/dbraw/zinc/61/66/49/258616649.db2.gz FYJZNUBQYDWVRP-KGLIPLIRSA-N 0 2 350.371 1.693 20 5 FDBDLN CNC(=O)CN1CCc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc21 ZINC000367138092 260000115 /nfs/dbraw/zinc/00/01/15/260000115.db2.gz NGLMEBSDPGMDGB-UHFFFAOYSA-N 0 2 370.365 1.661 20 5 FDBDLN COCCn1ncc2c1[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000367673102 260076038 /nfs/dbraw/zinc/07/60/38/260076038.db2.gz KZFSZBPMDNQXFD-AWEZNQCLSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000368116085 260137030 /nfs/dbraw/zinc/13/70/30/260137030.db2.gz DGGINLQVFCMDPK-MRXNPFEDSA-N 0 2 355.350 1.922 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000368320007 260166389 /nfs/dbraw/zinc/16/63/89/260166389.db2.gz WEMLQWVRSFMAHB-LBPRGKRZSA-N 0 2 363.370 1.011 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000410401314 262166078 /nfs/dbraw/zinc/16/60/78/262166078.db2.gz DXADPZYOQIAXBV-UHFFFAOYSA-N 0 2 368.371 1.232 20 5 FDBDLN COC(=O)c1sc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1C ZINC000013891896 518670005 /nfs/dbraw/zinc/67/00/05/518670005.db2.gz VUNBLBOEGGZKBS-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1C ZINC000060441571 522382596 /nfs/dbraw/zinc/38/25/96/522382596.db2.gz DKMLFAIMQHUYFZ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067179076 523350837 /nfs/dbraw/zinc/35/08/37/523350837.db2.gz AJEVAPUOSDXIBQ-UHFFFAOYSA-N 0 2 358.354 1.126 20 5 FDBDLN NC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000123687319 524808323 /nfs/dbraw/zinc/80/83/23/524808323.db2.gz YDNBOEBSXZINGD-LBPRGKRZSA-N 0 2 353.331 1.239 20 5 FDBDLN O=c1[nH]nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000092617285 524901052 /nfs/dbraw/zinc/90/10/52/524901052.db2.gz PXTYUZKPYGURPK-UHFFFAOYSA-N 0 2 372.307 1.347 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cncnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000163312312 525389696 /nfs/dbraw/zinc/38/96/96/525389696.db2.gz VWAORUBEXQIJRH-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164682722 525524675 /nfs/dbraw/zinc/52/46/75/525524675.db2.gz LZWFQRFQYMEXCA-JSGCOSHPSA-N 0 2 359.382 1.916 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1C ZINC000154523805 525560783 /nfs/dbraw/zinc/56/07/83/525560783.db2.gz PWBHURQGHVSZHA-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(Cn1cc(Br)ccc1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183909468 536064971 /nfs/dbraw/zinc/06/49/71/536064971.db2.gz YATLJCVLEKSEGN-UHFFFAOYSA-N 0 2 368.143 1.863 20 5 FDBDLN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000184885304 536189637 /nfs/dbraw/zinc/18/96/37/536189637.db2.gz PACPRQWPPYIXIG-GFCCVEGCSA-N 0 2 358.354 1.912 20 5 FDBDLN COC(=O)CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000265880276 537178179 /nfs/dbraw/zinc/17/81/79/537178179.db2.gz PHDYNKSHZULYRI-UHFFFAOYSA-N 0 2 366.355 1.900 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncn(CC(F)(F)F)n1 ZINC000194994224 537359037 /nfs/dbraw/zinc/35/90/37/537359037.db2.gz APUSUNWWZWFZAE-UHFFFAOYSA-N 0 2 351.266 1.549 20 5 FDBDLN COCCc1ccnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000285167122 537642870 /nfs/dbraw/zinc/64/28/70/537642870.db2.gz SYKUXDOMHANJBS-UHFFFAOYSA-N 0 2 367.383 1.988 20 5 FDBDLN O=C(N[C@H](CO)c1nc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1O ZINC000375992952 537816223 /nfs/dbraw/zinc/81/62/23/537816223.db2.gz OKHDCIZWOPPRNH-CYBMUJFWSA-N 0 2 370.321 1.814 20 5 FDBDLN COCCn1cc2c(n1)[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000376075503 537830876 /nfs/dbraw/zinc/83/08/76/537830876.db2.gz LJQPGRDVQWZLMC-CQSZACIVSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1S(C)(=O)=O ZINC000444440293 538165528 /nfs/dbraw/zinc/16/55/28/538165528.db2.gz RWOKZMHLESEQRQ-UHFFFAOYSA-N 0 2 364.379 1.942 20 5 FDBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1[C@H]1CCOC1 ZINC000451100837 538186803 /nfs/dbraw/zinc/18/68/03/538186803.db2.gz YJXZJOMOIJBOEM-LBPRGKRZSA-N 0 2 352.372 1.862 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cn2)ccc1[N+](=O)[O-] ZINC000481835329 538585872 /nfs/dbraw/zinc/58/58/72/538585872.db2.gz BHEPGYKSVVTJDT-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN O=C(NCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC1CCCCC1 ZINC000477180825 538612031 /nfs/dbraw/zinc/61/20/31/538612031.db2.gz VPOYDBKRVMAOHU-UHFFFAOYSA-N 0 2 350.375 1.662 20 5 FDBDLN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000462774017 538658639 /nfs/dbraw/zinc/65/86/39/538658639.db2.gz ITRGPJDDECHXGM-SNVBAGLBSA-N 0 2 359.313 1.975 20 5 FDBDLN Cc1nc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000565041444 547171495 /nfs/dbraw/zinc/17/14/95/547171495.db2.gz PCZOTMLLPYGIGU-UHFFFAOYSA-N 0 2 358.358 1.503 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)n1 ZINC000565835959 547501598 /nfs/dbraw/zinc/50/15/98/547501598.db2.gz KWBCYZQHWWVJMN-OAHLLOKOSA-N 0 2 368.415 1.308 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568006582 548358897 /nfs/dbraw/zinc/35/88/97/548358897.db2.gz JWWPAEWVFVOTBU-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568006582 548358902 /nfs/dbraw/zinc/35/89/02/548358902.db2.gz JWWPAEWVFVOTBU-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517816 548570463 /nfs/dbraw/zinc/57/04/63/548570463.db2.gz CAJZEGBSKVITPL-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517816 548570468 /nfs/dbraw/zinc/57/04/68/548570468.db2.gz CAJZEGBSKVITPL-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000569427166 548912396 /nfs/dbraw/zinc/91/23/96/548912396.db2.gz ASIKMILSZIYNCK-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN NS(=O)(=O)c1cc(NCCc2ccc3cn[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000588048642 551643204 /nfs/dbraw/zinc/64/32/04/551643204.db2.gz BNWILDZTGOOWBD-UHFFFAOYSA-N 0 2 361.383 1.773 20 5 FDBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC000590368215 551776426 /nfs/dbraw/zinc/77/64/26/551776426.db2.gz TWNIIEGPIRJQEN-VHSXEESVSA-N 0 2 374.353 1.794 20 5 FDBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1)C1CCOCC1 ZINC000592381942 551986603 /nfs/dbraw/zinc/98/66/03/551986603.db2.gz AAWQXHLJSOOWFG-ZDUSSCGKSA-N 0 2 359.404 1.482 20 5 FDBDLN CNC(=O)c1ccc(=NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)[nH]n1 ZINC000593338300 552091611 /nfs/dbraw/zinc/09/16/11/552091611.db2.gz PDHSJXQABJHGSR-UHFFFAOYSA-N 0 2 359.342 1.784 20 5 FDBDLN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000593855961 552210524 /nfs/dbraw/zinc/21/05/24/552210524.db2.gz AEKJOPOSKSVYGL-LBPRGKRZSA-N 0 2 366.370 1.921 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2cncc(OC(C)C)n2)cc1[N+](=O)[O-] ZINC000594578503 552336932 /nfs/dbraw/zinc/33/69/32/552336932.db2.gz FFBPVNXLDJLIJJ-UHFFFAOYSA-N 0 2 366.399 2.535 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](CCc2ccccc2)C(F)F)n1 ZINC000599417465 553052601 /nfs/dbraw/zinc/05/26/01/553052601.db2.gz MNNFABPTVMHGAE-NSHDSACASA-N 0 2 374.369 1.873 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)n1 ZINC000600669124 553297246 /nfs/dbraw/zinc/29/72/46/553297246.db2.gz ZXMUOMKAMIURBT-UHFFFAOYSA-N 0 2 372.310 1.085 20 5 FDBDLN O=C(Cn1nc(-c2ccccc2)oc1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294829 554623703 /nfs/dbraw/zinc/62/37/03/554623703.db2.gz ZPWHBNYPWPGPTG-UHFFFAOYSA-N 0 2 356.294 1.756 20 5 FDBDLN Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1n[nH]c(-c2ccccc2F)n1 ZINC000618557654 555649792 /nfs/dbraw/zinc/64/97/92/555649792.db2.gz FSSGEMXBEPRLAL-UHFFFAOYSA-N 0 2 366.334 1.226 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nc(C)nn2c1 ZINC000619526802 555794793 /nfs/dbraw/zinc/79/47/93/555794793.db2.gz FGFLFLOMWIBMQX-UHFFFAOYSA-N 0 2 363.355 1.755 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cn1 ZINC000481841996 568146006 /nfs/dbraw/zinc/14/60/06/568146006.db2.gz OOPOXCQVTORCPT-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN O=[N+]([O-])c1cnc(NCc2n[nH]c(-c3ccccc3)n2)c(-c2nn[nH]n2)c1 ZINC000738373375 598501459 /nfs/dbraw/zinc/50/14/59/598501459.db2.gz BKIAXXWXDAOSFF-UHFFFAOYSA-N 0 2 364.329 1.567 20 5 FDBDLN O=[N+]([O-])c1cnc(NCc2nc(-c3ccccc3)n[nH]2)c(-c2nn[nH]n2)c1 ZINC000738373375 598501460 /nfs/dbraw/zinc/50/14/60/598501460.db2.gz BKIAXXWXDAOSFF-UHFFFAOYSA-N 0 2 364.329 1.567 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832905733 601026161 /nfs/dbraw/zinc/02/61/61/601026161.db2.gz RPAWZQAWWGAHIP-LBPRGKRZSA-N 0 2 353.400 1.734 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832905733 601026165 /nfs/dbraw/zinc/02/61/65/601026165.db2.gz RPAWZQAWWGAHIP-LBPRGKRZSA-N 0 2 353.400 1.734 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739869746 601962689 /nfs/dbraw/zinc/96/26/89/601962689.db2.gz BQYFDSWLKKIILG-JTQLQIEISA-N 0 2 352.347 1.131 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000739869746 601962690 /nfs/dbraw/zinc/96/26/90/601962690.db2.gz BQYFDSWLKKIILG-JTQLQIEISA-N 0 2 352.347 1.131 20 5 FDBDLN CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273278911 674524017 /nfs/dbraw/zinc/52/40/17/674524017.db2.gz WIDCIRXKZMULBR-GFCCVEGCSA-N 0 2 353.400 1.684 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271299 604024786 /nfs/dbraw/zinc/02/47/86/604024786.db2.gz DYPORORRQYCLKT-WDEREUQCSA-N 0 2 364.358 1.828 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271299 604024790 /nfs/dbraw/zinc/02/47/90/604024790.db2.gz DYPORORRQYCLKT-WDEREUQCSA-N 0 2 364.358 1.828 20 5 FDBDLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000833404866 604647886 /nfs/dbraw/zinc/64/78/86/604647886.db2.gz VDCBYDQHXVWLAH-GFCCVEGCSA-N 0 2 361.398 1.665 20 5 FDBDLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000833404866 604647888 /nfs/dbraw/zinc/64/78/88/604647888.db2.gz VDCBYDQHXVWLAH-GFCCVEGCSA-N 0 2 361.398 1.665 20 5 FDBDLN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000285269477 675813195 /nfs/dbraw/zinc/81/31/95/675813195.db2.gz PNTMSMSJDFAMNN-VIFPVBQESA-N 0 2 367.387 1.203 20 5 FDBDLN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000285269477 675813198 /nfs/dbraw/zinc/81/31/98/675813198.db2.gz PNTMSMSJDFAMNN-VIFPVBQESA-N 0 2 367.387 1.203 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000326912251 676586803 /nfs/dbraw/zinc/58/68/03/676586803.db2.gz OUMPOLKCIIVHRD-UHFFFAOYSA-N 0 2 350.352 1.634 20 5 FDBDLN CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000376461049 678310916 /nfs/dbraw/zinc/31/09/16/678310916.db2.gz KROZOONOIMTNBR-SSDOTTSWSA-N 0 2 373.416 1.268 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000446956996 682519916 /nfs/dbraw/zinc/51/99/16/682519916.db2.gz LAMHASJELZOFRQ-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ncn(C)n2)cc([N+](=O)[O-])c1C ZINC000451027272 682803033 /nfs/dbraw/zinc/80/30/33/682803033.db2.gz GUCDWYRMHQQWDZ-UHFFFAOYSA-N 0 2 369.359 1.009 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1 ZINC000451103245 682818297 /nfs/dbraw/zinc/81/82/97/682818297.db2.gz ANESAMFGTRTUHL-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)c([N+](=O)[O-])n1 ZINC000479129973 685997763 /nfs/dbraw/zinc/99/77/63/685997763.db2.gz JBUIEUFNDWDZJA-UHFFFAOYSA-N 0 2 352.376 1.588 20 5 FDBDLN CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000513304268 689664618 /nfs/dbraw/zinc/66/46/18/689664618.db2.gz WBXXGIGXMIYYLT-UHFFFAOYSA-N 0 2 364.379 1.976 20 5 FDBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000514982331 689796536 /nfs/dbraw/zinc/79/65/36/689796536.db2.gz ROLNDBWQFYLUSJ-UHFFFAOYSA-N 0 2 372.380 1.505 20 5 FDBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532149451 694866783 /nfs/dbraw/zinc/86/67/83/694866783.db2.gz YGJJMFZZIWTBSS-UHFFFAOYSA-N 0 2 351.340 1.741 20 5 FDBDLN O=C(NCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000511679507 796236924 /nfs/dbraw/zinc/23/69/24/796236924.db2.gz FNWAVLGOSNAVEG-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN COc1cccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436952033 816813795 /nfs/dbraw/zinc/81/37/95/816813795.db2.gz UJKNNFGCNZJQAQ-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590790 824080257 /nfs/dbraw/zinc/08/02/57/824080257.db2.gz AAEYDXCGGHJOFT-UHFFFAOYSA-N 0 2 369.341 1.199 20 5 FDBDLN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1n[nH]c(=O)[nH]1 ZINC000478567623 843817718 /nfs/dbraw/zinc/81/77/18/843817718.db2.gz GWWHHCFEVGEAHN-UHFFFAOYSA-N 0 2 374.279 1.556 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])c(NCCCc2n[nH]c(=O)[nH]2)cc1Cl ZINC000765517013 907426315 /nfs/dbraw/zinc/42/63/15/907426315.db2.gz UZMYTQZSYUASDU-UHFFFAOYSA-N 0 2 355.738 1.903 20 5 FDBDLN NS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000770856662 930285552 /nfs/dbraw/zinc/28/55/52/930285552.db2.gz KYJVGXMBWACMQM-UHFFFAOYSA-N 0 2 355.303 1.339 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000812319867 941192879 /nfs/dbraw/zinc/19/28/79/941192879.db2.gz VEROJNSLNVKABT-UHFFFAOYSA-N 0 2 352.328 1.683 20 5 FDBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCCN1CCCC1 ZINC000814980295 941746527 /nfs/dbraw/zinc/74/65/27/941746527.db2.gz HVIDEKBHJSSWGT-UHFFFAOYSA-N 0 2 351.787 1.761 20 5 FDBDLN CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000819553038 943643759 /nfs/dbraw/zinc/64/37/59/943643759.db2.gz UYYOUMSSTNBQEM-NSHDSACASA-N 0 2 369.374 1.258 20 5 FDBDLN CCO/C=C\[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000848179205 976434014 /nfs/dbraw/zinc/43/40/14/976434014.db2.gz OYGATFWCTBZOGZ-CFHLNLSMSA-N 0 2 364.276 1.874 20 5 FDBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)c2cccc3[nH]c(C)nc32)C1 ZINC000967949131 1014490659 /nfs/dbraw/zinc/49/06/59/1014490659.db2.gz FSSHPLUPOCYYMP-UKRRQHHQSA-N 0 2 371.397 1.209 20 5 FDBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)[O-] ZINC001595213031 980003121 /nfs/dbraw/zinc/00/31/21/980003121.db2.gz RYZKAYKGACUQFQ-ZFWWWQNUSA-N 0 2 360.370 1.630 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001589438957 986768810 /nfs/dbraw/zinc/76/88/10/986768810.db2.gz QVOGHDZEKCNIGQ-XLKFXECMSA-N 0 2 357.750 1.097 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@](O)(C(=O)[O-])C1 ZINC001589438957 986768812 /nfs/dbraw/zinc/76/88/12/986768812.db2.gz QVOGHDZEKCNIGQ-XLKFXECMSA-N 0 2 357.750 1.097 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2cnccn2)CC1 ZINC000366083081 988380915 /nfs/dbraw/zinc/38/09/15/988380915.db2.gz CGLSPYVWFINAGO-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccnc2-n2cncn2)c1C ZINC000363169970 988969877 /nfs/dbraw/zinc/96/98/77/988969877.db2.gz AKJRXPRRDYEBEX-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271648933 999720890 /nfs/dbraw/zinc/72/08/90/999720890.db2.gz ZGCULLJHJGMIGX-SNVBAGLBSA-N 0 2 368.346 1.008 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 ZINC000777924137 1003335256 /nfs/dbraw/zinc/33/52/56/1003335256.db2.gz YDKJHBXNFIYTLE-UHFFFAOYSA-N 0 2 372.334 1.213 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000517268552 539358868 /nfs/dbraw/zinc/35/88/68/539358868.db2.gz XTMSMWGLIQAOJL-UHFFFAOYSA-N 0 2 357.355 1.984 20 5 FDBDLN O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269100051 180215865 /nfs/dbraw/zinc/21/58/65/180215865.db2.gz OQDOAPDYMBPQRF-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN Cc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000530585261 540006015 /nfs/dbraw/zinc/00/60/15/540006015.db2.gz NIFXFSAYWLEFPM-UHFFFAOYSA-N 0 2 355.310 1.583 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n(-c2ncccn2)n1 ZINC000530801281 540044681 /nfs/dbraw/zinc/04/46/81/540044681.db2.gz JVIPPCMVBNXANR-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000530881538 540061275 /nfs/dbraw/zinc/06/12/75/540061275.db2.gz KVASACAXXUSRPE-GFCCVEGCSA-N 0 2 352.343 1.485 20 5 FDBDLN CN1C(=O)C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1cccnc1 ZINC000539973490 541014972 /nfs/dbraw/zinc/01/49/72/541014972.db2.gz DGLFDSSRNXSAKI-MLGOLLRUSA-N 0 2 356.338 1.854 20 5 FDBDLN COc1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)cc1[N+](=O)[O-] ZINC000542073030 541330030 /nfs/dbraw/zinc/33/00/30/541330030.db2.gz NEWMOWJTJOGGQY-UHFFFAOYSA-N 0 2 371.309 1.914 20 5 FDBDLN O=C(C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)[N-]OCc1ccccc1 ZINC000298053936 184382536 /nfs/dbraw/zinc/38/25/36/184382536.db2.gz JBKPMVQLUTTWDS-UHFFFAOYSA-N 0 2 371.397 1.360 20 5 FDBDLN O=C(CN1CCN(c2ncccc2[N+](=O)[O-])CC1)NOCc1ccccc1 ZINC000298053936 184382538 /nfs/dbraw/zinc/38/25/38/184382538.db2.gz JBKPMVQLUTTWDS-UHFFFAOYSA-N 0 2 371.397 1.360 20 5 FDBDLN CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000552800097 543519308 /nfs/dbraw/zinc/51/93/08/543519308.db2.gz OGMXCSYQNXVWDL-LLVKDONJSA-N 0 2 356.400 1.730 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130957667 173185797 /nfs/dbraw/zinc/18/57/97/173185797.db2.gz YKWAJFRQJWOIPG-UHFFFAOYSA-N 0 2 357.366 1.964 20 5 FDBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000180127631 258363024 /nfs/dbraw/zinc/36/30/24/258363024.db2.gz OHASVEUGQNOFBO-UHFFFAOYSA-N 0 2 357.366 1.964 20 5 FDBDLN Cc1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])nc(N2CCCC2)n1 ZINC000293864824 258901214 /nfs/dbraw/zinc/90/12/14/258901214.db2.gz DNSKTDXWVXMLPD-UHFFFAOYSA-N 0 2 357.370 1.929 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000299387393 258993885 /nfs/dbraw/zinc/99/38/85/258993885.db2.gz ZIZBWHIINGMKMQ-UHFFFAOYSA-N 0 2 363.370 1.011 20 5 FDBDLN NC(=O)c1ccccc1N1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367222294 260012073 /nfs/dbraw/zinc/01/20/73/260012073.db2.gz BEXOJVSUMXEBMH-NSHDSACASA-N 0 2 370.365 1.408 20 5 FDBDLN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000368457977 260186761 /nfs/dbraw/zinc/18/67/61/260186761.db2.gz LVZWRAPFYRNLGZ-LBPRGKRZSA-N 0 2 358.354 1.912 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC000032087056 519481706 /nfs/dbraw/zinc/48/17/06/519481706.db2.gz HEZSZSKVSRTQJL-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN NC(=O)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000152595794 524937493 /nfs/dbraw/zinc/93/74/93/524937493.db2.gz LWSZTRQXHOKRPL-LBPRGKRZSA-N 0 2 371.321 1.378 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000093928899 525007383 /nfs/dbraw/zinc/00/73/83/525007383.db2.gz LBIYFDLCQPUJPV-LBPRGKRZSA-N 0 2 352.372 1.862 20 5 FDBDLN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000128211481 525516759 /nfs/dbraw/zinc/51/67/59/525516759.db2.gz MEENRQAMUDUKGR-UHFFFAOYSA-N 0 2 351.388 1.684 20 5 FDBDLN CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179489292 525590995 /nfs/dbraw/zinc/59/09/95/525590995.db2.gz UTNOOJNZFKMCBH-OAHLLOKOSA-N 0 2 357.366 1.730 20 5 FDBDLN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129575900 525668879 /nfs/dbraw/zinc/66/88/79/525668879.db2.gz WIFMOKLJGIMXMN-AWEZNQCLSA-N 0 2 357.366 1.730 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186397267 536233864 /nfs/dbraw/zinc/23/38/64/536233864.db2.gz RMCMPWONCKBMHX-UHFFFAOYSA-N 0 2 357.326 1.183 20 5 FDBDLN O=C(NCCN1CCc2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000191297699 537202371 /nfs/dbraw/zinc/20/23/71/537202371.db2.gz JJFGYUXRSDZEIR-UHFFFAOYSA-N 0 2 355.350 1.729 20 5 FDBDLN CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000414342090 537784256 /nfs/dbraw/zinc/78/42/56/537784256.db2.gz PKGQACOWPTUWHW-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000433133972 538201810 /nfs/dbraw/zinc/20/18/10/538201810.db2.gz FOOZTRFKPVBIJK-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424267917 538267780 /nfs/dbraw/zinc/26/77/80/538267780.db2.gz MZBHRDQZEPOSFN-ZUZCIYMTSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)[O-] ZINC000424267917 538267784 /nfs/dbraw/zinc/26/77/84/538267784.db2.gz MZBHRDQZEPOSFN-ZUZCIYMTSA-N 0 2 351.359 1.727 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000486755974 538560527 /nfs/dbraw/zinc/56/05/27/538560527.db2.gz ADQJSGJWMBASEE-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN COC(=O)c1nscc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000479969907 538843544 /nfs/dbraw/zinc/84/35/44/538843544.db2.gz YBILYRSDRVXRNG-UHFFFAOYSA-N 0 2 373.368 1.647 20 5 FDBDLN CC[C@@H](C(=O)OC)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000561120254 545695601 /nfs/dbraw/zinc/69/56/01/545695601.db2.gz ASOVAEYVLDDIEI-LBPRGKRZSA-N 0 2 351.359 1.010 20 5 FDBDLN O=C([O-])c1ccnc(N2CC[NH+](Cc3cccc(O)c3)CC2)c1[N+](=O)[O-] ZINC000564658625 546992371 /nfs/dbraw/zinc/99/23/71/546992371.db2.gz HNZKPFFSKINODW-UHFFFAOYSA-N 0 2 358.354 1.716 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000583002013 551289810 /nfs/dbraw/zinc/28/98/10/551289810.db2.gz LUDQWAFIPJLVTB-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000594380836 552299141 /nfs/dbraw/zinc/29/91/41/552299141.db2.gz AXGOOXRWVDEPSI-LLVKDONJSA-N 0 2 352.265 1.312 20 5 FDBDLN COC(=O)C(C)(C)n1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000594698993 552358077 /nfs/dbraw/zinc/35/80/77/552358077.db2.gz LCQFBZSVHMESBU-UHFFFAOYSA-N 0 2 368.371 1.500 20 5 FDBDLN COC(=O)c1c(Cl)c(NCCCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000596144133 552659762 /nfs/dbraw/zinc/65/97/62/552659762.db2.gz AMJZNCBDAUKIJI-UHFFFAOYSA-N 0 2 355.738 1.903 20 5 FDBDLN CN(C)c1n[nH]c(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000597622115 552813478 /nfs/dbraw/zinc/81/34/78/552813478.db2.gz SGQVNCPIHNRAMK-UHFFFAOYSA-N 0 2 360.374 1.504 20 5 FDBDLN CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)nn1 ZINC000598509861 552903892 /nfs/dbraw/zinc/90/38/92/552903892.db2.gz KIKHCVJYNPWDDC-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2nnc(N3CCCC3)cc2C1 ZINC000598582763 552911309 /nfs/dbraw/zinc/91/13/09/552911309.db2.gz VSNHCKMOHFIXJK-UHFFFAOYSA-N 0 2 369.381 1.889 20 5 FDBDLN CS(=O)(=O)NC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCCCC1 ZINC000599788976 553148333 /nfs/dbraw/zinc/14/83/33/553148333.db2.gz MJIJIAGZGZMAIZ-UHFFFAOYSA-N 0 2 371.415 1.282 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC)nc2OC)c([N+](=O)[O-])c1 ZINC000604471208 553879407 /nfs/dbraw/zinc/87/94/07/553879407.db2.gz HBRXHSZNDNMWSN-UHFFFAOYSA-N 0 2 369.355 1.816 20 5 FDBDLN CCn1nccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000608929392 554329561 /nfs/dbraw/zinc/32/95/61/554329561.db2.gz YGLNEJFUWPQFFS-UHFFFAOYSA-N 0 2 354.344 1.399 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000610453414 554509872 /nfs/dbraw/zinc/50/98/72/554509872.db2.gz FWJQTNLWHQXSOR-CYBMUJFWSA-N 0 2 352.343 1.483 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000619507835 555792679 /nfs/dbraw/zinc/79/26/79/555792679.db2.gz ZQVOYSLTHRIMQN-SECBINFHSA-N 0 2 370.343 1.639 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436634362 568161511 /nfs/dbraw/zinc/16/15/11/568161511.db2.gz KJEQEJRDPHVZRY-MFKMUULPSA-N 0 2 371.415 1.138 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436634360 568178016 /nfs/dbraw/zinc/17/80/16/568178016.db2.gz KJEQEJRDPHVZRY-GWCFXTLKSA-N 0 2 371.415 1.138 20 5 FDBDLN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635373 568201703 /nfs/dbraw/zinc/20/17/03/568201703.db2.gz PLRWQNJKRPYIKR-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN Cc1nn(Cc2ccc(Cl)cc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1C ZINC000737523120 599158539 /nfs/dbraw/zinc/15/85/39/599158539.db2.gz QBSNLMHQMXRDJC-UHFFFAOYSA-N 0 2 361.749 1.650 20 5 FDBDLN CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000829966709 602082960 /nfs/dbraw/zinc/08/29/60/602082960.db2.gz MTPWSTAOPPITIE-CQSZACIVSA-N 0 2 362.342 1.342 20 5 FDBDLN CCC[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739362675 602525541 /nfs/dbraw/zinc/52/55/41/602525541.db2.gz LKGYIYOLBHBCSM-LBPRGKRZSA-N 0 2 364.358 1.925 20 5 FDBDLN CCC[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000739362675 602525543 /nfs/dbraw/zinc/52/55/43/602525543.db2.gz LKGYIYOLBHBCSM-LBPRGKRZSA-N 0 2 364.358 1.925 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000738295023 602533443 /nfs/dbraw/zinc/53/34/43/602533443.db2.gz ASPLAQQRNGJZSG-UHFFFAOYSA-N 0 2 350.375 1.916 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178809 602777652 /nfs/dbraw/zinc/77/76/52/602777652.db2.gz SCTMIELUZPBZMD-IJLUTSLNSA-N 0 2 350.375 1.900 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739178809 602777654 /nfs/dbraw/zinc/77/76/54/602777654.db2.gz SCTMIELUZPBZMD-IJLUTSLNSA-N 0 2 350.375 1.900 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740095554 602778642 /nfs/dbraw/zinc/77/86/42/602778642.db2.gz CNPCRTRYHPFKJL-BXUZGUMPSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740095554 602778643 /nfs/dbraw/zinc/77/86/43/602778643.db2.gz CNPCRTRYHPFKJL-BXUZGUMPSA-N 0 2 350.375 1.820 20 5 FDBDLN O=C([O-])NC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000740612688 603036455 /nfs/dbraw/zinc/03/64/55/603036455.db2.gz PFQYPFIOLJWLKB-GFCCVEGCSA-N 0 2 359.342 1.557 20 5 FDBDLN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273278914 674523965 /nfs/dbraw/zinc/52/39/65/674523965.db2.gz WIDCIRXKZMULBR-LBPRGKRZSA-N 0 2 353.400 1.684 20 5 FDBDLN C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114690 603538044 /nfs/dbraw/zinc/53/80/44/603538044.db2.gz KRYCNLUXMXPJHB-SNVBAGLBSA-N 0 2 356.766 1.871 20 5 FDBDLN C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828114690 603538047 /nfs/dbraw/zinc/53/80/47/603538047.db2.gz KRYCNLUXMXPJHB-SNVBAGLBSA-N 0 2 356.766 1.871 20 5 FDBDLN COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441750 603846770 /nfs/dbraw/zinc/84/67/70/603846770.db2.gz IFYISGSJYAAPLS-QWRGUYRKSA-N 0 2 366.374 1.615 20 5 FDBDLN COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441750 603846773 /nfs/dbraw/zinc/84/67/73/603846773.db2.gz IFYISGSJYAAPLS-QWRGUYRKSA-N 0 2 366.374 1.615 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000274994287 674600021 /nfs/dbraw/zinc/60/00/21/674600021.db2.gz FATADYPTEVOURD-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000285881769 675848320 /nfs/dbraw/zinc/84/83/20/675848320.db2.gz WSSPVNYHKUMDRR-UHFFFAOYSA-N 0 2 359.264 1.867 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000363985941 676983000 /nfs/dbraw/zinc/98/30/00/676983000.db2.gz LJLLTLPNMHXRGN-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000364073314 676989674 /nfs/dbraw/zinc/98/96/74/676989674.db2.gz TXFNZZXHFIAZSC-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000372272798 677883950 /nfs/dbraw/zinc/88/39/50/677883950.db2.gz JFVKMJATJMCBAG-NEPJUHHUSA-N 0 2 352.343 1.483 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 ZINC000413915583 679314081 /nfs/dbraw/zinc/31/40/81/679314081.db2.gz AUEIULOUIXIVFX-CYBMUJFWSA-N 0 2 354.384 1.340 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)c(C)nn2C)cc1[N+](=O)[O-] ZINC000416420535 679613787 /nfs/dbraw/zinc/61/37/87/679613787.db2.gz ZPQOFYFSRXRORU-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436848320 681736670 /nfs/dbraw/zinc/73/66/70/681736670.db2.gz UWPOIXCRBRWRNJ-NSHDSACASA-N 0 2 356.400 1.730 20 5 FDBDLN O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(F)cc(Br)c1O ZINC000436857021 681738429 /nfs/dbraw/zinc/73/84/29/681738429.db2.gz JFEZVFKEDJXDOK-UHFFFAOYSA-N 0 2 373.138 1.829 20 5 FDBDLN CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000456876855 683688472 /nfs/dbraw/zinc/68/84/72/683688472.db2.gz BNSMZZQZYGKLSC-UHFFFAOYSA-N 0 2 350.419 1.446 20 5 FDBDLN CNS(=O)(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505267351 688488440 /nfs/dbraw/zinc/48/84/40/688488440.db2.gz UPEAQJTVUWVDMM-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000517420947 690065193 /nfs/dbraw/zinc/06/51/93/690065193.db2.gz IZNCCEOTAISMLT-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN Cc1cc(N2CCC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000376089298 785837928 /nfs/dbraw/zinc/83/79/28/785837928.db2.gz RTWCEYVEAFTVMN-LBPRGKRZSA-N 0 2 359.386 1.741 20 5 FDBDLN C[C@@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)NC(=O)NC1=O ZINC000436869097 816767144 /nfs/dbraw/zinc/76/71/44/816767144.db2.gz LFPKXHGHZGZTCV-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccncc1[N+](=O)[O-] ZINC000473771426 818324800 /nfs/dbraw/zinc/32/48/00/818324800.db2.gz ZVTZNABTPKFWFX-UHFFFAOYSA-N 0 2 369.341 1.431 20 5 FDBDLN CCOC(=O)[C@]1(COC)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000281667514 826152988 /nfs/dbraw/zinc/15/29/88/826152988.db2.gz OSAMHKOIKSUEET-QGZVFWFLSA-N 0 2 366.370 1.732 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450985800 830210499 /nfs/dbraw/zinc/21/04/99/830210499.db2.gz LEWNGUHCTAJUMV-GFCCVEGCSA-N 0 2 360.374 1.893 20 5 FDBDLN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2[N+](=O)[O-])C1 ZINC000479749421 844554886 /nfs/dbraw/zinc/55/48/86/844554886.db2.gz UAHKAZUOMXUUPD-PHIMTYICSA-N 0 2 374.401 1.831 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[nH]n1 ZINC000763384667 881878495 /nfs/dbraw/zinc/87/84/95/881878495.db2.gz ZNISFZGTQSAFRE-UHFFFAOYSA-N 0 2 372.334 1.743 20 5 FDBDLN O=C([N-]S(=O)(=O)C1CCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000176411207 869735195 /nfs/dbraw/zinc/73/51/95/869735195.db2.gz VOZOAHLSLWLTGR-UHFFFAOYSA-N 0 2 364.383 1.783 20 5 FDBDLN NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)N2 ZINC000917146233 883135768 /nfs/dbraw/zinc/13/57/68/883135768.db2.gz WKJLGPHYUOFCQJ-VZUCSPMQSA-N 0 2 361.335 1.441 20 5 FDBDLN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000917362557 883365240 /nfs/dbraw/zinc/36/52/40/883365240.db2.gz HXFJYWCMCFCALS-UHFFFAOYSA-N 0 2 374.309 1.967 20 5 FDBDLN Cn1nccc1[C@H]1[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000499070907 886275563 /nfs/dbraw/zinc/27/55/63/886275563.db2.gz LKQZTTYQOHHHDF-MEBBXXQBSA-N 0 2 359.342 1.192 20 5 FDBDLN CC[C@@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1cccc([N+](=O)[O-])c1 ZINC001127733598 903815237 /nfs/dbraw/zinc/81/52/37/903815237.db2.gz VRNQZAZDPKYXOY-CYBMUJFWSA-N 0 2 357.326 1.674 20 5 FDBDLN O=C([N-]S(=O)(=O)c1ccccn1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000734965658 923890957 /nfs/dbraw/zinc/89/09/57/923890957.db2.gz VLCXRTIPCKYOGY-UHFFFAOYSA-N 0 2 373.350 1.294 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2C)c(C)c1[N+](=O)[O-] ZINC000790638614 933638467 /nfs/dbraw/zinc/63/84/67/933638467.db2.gz HATHHHLXWANYMR-UHFFFAOYSA-N 0 2 355.332 1.654 20 5 FDBDLN Cc1nc(N2CCN(c3ccc(CC(=O)[O-])cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000844209329 947878095 /nfs/dbraw/zinc/87/80/95/947878095.db2.gz KJLSVDRXFXYUDZ-UHFFFAOYSA-N 0 2 357.370 1.647 20 5 FDBDLN Cc1c(CS(=O)(=O)[N-]C(=O)C[C@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000845602375 949740351 /nfs/dbraw/zinc/74/03/51/949740351.db2.gz ZCOLIGGXDHROAD-NSHDSACASA-N 0 2 366.399 1.697 20 5 FDBDLN Cc1c(CS(=O)(=O)[N-]C(=O)C[C@@H](C)n2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000845602372 949740482 /nfs/dbraw/zinc/74/04/82/949740482.db2.gz ZCOLIGGXDHROAD-LLVKDONJSA-N 0 2 366.399 1.697 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000773377254 962159242 /nfs/dbraw/zinc/15/92/42/962159242.db2.gz UQDNUZLKHZZNMX-SWLSCSKDSA-N 0 2 362.338 1.858 20 5 FDBDLN C[C@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001180721394 965544065 /nfs/dbraw/zinc/54/40/65/965544065.db2.gz SBLGSJBARHFNGJ-GOSISDBHSA-N 0 2 370.365 1.831 20 5 FDBDLN COCc1nnc(CNc2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])[nH]1 ZINC000853808237 968335547 /nfs/dbraw/zinc/33/55/47/968335547.db2.gz DWCNUGCZNKMUHZ-UHFFFAOYSA-N 0 2 352.307 1.180 20 5 FDBDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001599958723 985737001 /nfs/dbraw/zinc/73/70/01/985737001.db2.gz GKBMCTDCJKBOIM-NSHDSACASA-N 0 2 373.369 1.694 20 5 FDBDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001599958723 985737009 /nfs/dbraw/zinc/73/70/09/985737009.db2.gz GKBMCTDCJKBOIM-NSHDSACASA-N 0 2 373.369 1.694 20 5 FDBDLN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001599822281 988534924 /nfs/dbraw/zinc/53/49/24/988534924.db2.gz GPYHDXBWDIPPPE-NSHDSACASA-N 0 2 350.356 1.466 20 5 FDBDLN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001599822281 988534926 /nfs/dbraw/zinc/53/49/26/988534926.db2.gz GPYHDXBWDIPPPE-NSHDSACASA-N 0 2 350.356 1.466 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)cc1C ZINC000371982947 990872254 /nfs/dbraw/zinc/87/22/54/990872254.db2.gz DPPVRMDTBXFAJB-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3nncn3C)ccn2)cc1[N+](=O)[O-] ZINC000372373893 991055341 /nfs/dbraw/zinc/05/53/41/991055341.db2.gz PMHSKJQLULUNQZ-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN C[N@H+](CC(=O)N1CCCC1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598380403 991581132 /nfs/dbraw/zinc/58/11/32/991581132.db2.gz HQIDVSKXHWOPCZ-UHFFFAOYSA-N 0 2 351.359 1.112 20 5 FDBDLN C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598380403 991581144 /nfs/dbraw/zinc/58/11/44/991581144.db2.gz HQIDVSKXHWOPCZ-UHFFFAOYSA-N 0 2 351.359 1.112 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000739587157 1012938332 /nfs/dbraw/zinc/93/83/32/1012938332.db2.gz ZEVLPPJHBSQJIU-CYBMUJFWSA-N 0 2 373.369 1.995 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000268246136 180034219 /nfs/dbraw/zinc/03/42/19/180034219.db2.gz FUNITFIOWPDMBW-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000269167599 180231483 /nfs/dbraw/zinc/23/14/83/180231483.db2.gz QLINBTLQEJFVEG-DOMZBBRYSA-N 0 2 362.338 1.858 20 5 FDBDLN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000271444351 180610529 /nfs/dbraw/zinc/61/05/29/180610529.db2.gz HCGHEUCODWSTKQ-ZDUSSCGKSA-N 0 2 367.358 1.875 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cn1C ZINC000274239662 181053833 /nfs/dbraw/zinc/05/38/33/181053833.db2.gz SWIZIGOYEALSGH-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(N2CCOCC2)nc1 ZINC000274828994 181172590 /nfs/dbraw/zinc/17/25/90/181172590.db2.gz ZCTXAWNGVAILNC-UHFFFAOYSA-N 0 2 358.354 1.809 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000274847074 181175812 /nfs/dbraw/zinc/17/58/12/181175812.db2.gz GRVOKCSOYHVBMB-AWEZNQCLSA-N 0 2 363.370 1.154 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cn[nH]c2)cc([N+](=O)[O-])c1C ZINC000536413604 540590457 /nfs/dbraw/zinc/59/04/57/540590457.db2.gz FMVKMEZTWMOKKI-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000537769788 540772604 /nfs/dbraw/zinc/77/26/04/540772604.db2.gz CMCSHBQTDYZFPT-UHFFFAOYSA-N 0 2 354.344 1.131 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)c1 ZINC000542735770 541456061 /nfs/dbraw/zinc/45/60/61/541456061.db2.gz ZJCXONBHBULAIK-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000543637214 541625928 /nfs/dbraw/zinc/62/59/28/541625928.db2.gz NMYUIQQJLXOXCT-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000543640602 541626579 /nfs/dbraw/zinc/62/65/79/541626579.db2.gz TVYWBNTVFNBYLG-UHFFFAOYSA-N 0 2 370.343 1.211 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n(C)n1 ZINC000544622656 541797095 /nfs/dbraw/zinc/79/70/95/541797095.db2.gz MYTOCPSPZSRHSR-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN O=c1nc2[nH]cc(-c3nc(Cc4ccccc4[N+](=O)[O-])no3)cc-2c(=O)[nH]1 ZINC000546242227 542131120 /nfs/dbraw/zinc/13/11/20/542131120.db2.gz KYCWKKOFHOKKEL-UHFFFAOYSA-N 0 2 366.293 1.985 20 5 FDBDLN CN(C[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000286502110 183083284 /nfs/dbraw/zinc/08/32/84/183083284.db2.gz XHUHINOGVGJPAM-LLVKDONJSA-N 0 2 371.415 1.044 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000287156327 183224863 /nfs/dbraw/zinc/22/48/63/183224863.db2.gz FJPLSGZDMMIGFL-JQWIXIFHSA-N 0 2 371.415 1.138 20 5 FDBDLN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552202334 543437057 /nfs/dbraw/zinc/43/70/57/543437057.db2.gz RVBGWKSGXRTTQQ-CQSZACIVSA-N 0 2 359.338 1.600 20 5 FDBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000080327146 172172693 /nfs/dbraw/zinc/17/26/93/172172693.db2.gz PMJJNERNFKTBTF-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N1CCc2sccc2C1 ZINC000102472609 172350926 /nfs/dbraw/zinc/35/09/26/172350926.db2.gz RUMRQKQXEGDTQY-UHFFFAOYSA-N 0 2 361.379 1.677 20 5 FDBDLN CCc1nsc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000179525549 258353339 /nfs/dbraw/zinc/35/33/39/258353339.db2.gz HGPBDNJRUZSSND-UHFFFAOYSA-N 0 2 363.399 1.677 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000367523490 260055164 /nfs/dbraw/zinc/05/51/64/260055164.db2.gz CDWJLNLFJGRJBQ-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000367980377 260118478 /nfs/dbraw/zinc/11/84/78/260118478.db2.gz DWUHLKIRMHQAGZ-MRXNPFEDSA-N 0 2 367.427 1.238 20 5 FDBDLN Cc1c([C@H]2[C@@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC(=O)N2C)cnn1C ZINC000373895801 261050523 /nfs/dbraw/zinc/05/05/23/261050523.db2.gz PPGIVOVWFZBGCU-MEDUHNTESA-N 0 2 373.369 1.500 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000410404915 262165877 /nfs/dbraw/zinc/16/58/77/262165877.db2.gz PHOKSPWOYJAFSR-UHFFFAOYSA-N 0 2 365.367 1.893 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000023317201 518945899 /nfs/dbraw/zinc/94/58/99/518945899.db2.gz LORMYLQWWDNDSU-ZDUSSCGKSA-N 0 2 363.370 1.011 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1SC(N(C)C)=NC1=O ZINC000028757223 519249491 /nfs/dbraw/zinc/24/94/91/519249491.db2.gz KXEUYBZMKHOHOK-LLVKDONJSA-N 0 2 352.372 1.492 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)CC1SC(N(C)C)=NC1=O ZINC000028757223 519249498 /nfs/dbraw/zinc/24/94/98/519249498.db2.gz KXEUYBZMKHOHOK-LLVKDONJSA-N 0 2 352.372 1.492 20 5 FDBDLN Cc1sc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000057269174 522049324 /nfs/dbraw/zinc/04/93/24/522049324.db2.gz SCMUJCBAUPWRDP-UHFFFAOYSA-N 0 2 363.402 1.440 20 5 FDBDLN C[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1cccc([N+](=O)[O-])c1 ZINC000057283102 522054365 /nfs/dbraw/zinc/05/43/65/522054365.db2.gz GRRHIYFDZJICLR-QMMMGPOBSA-N 0 2 355.310 1.423 20 5 FDBDLN Cc1noc(C)c1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157575580 524300962 /nfs/dbraw/zinc/30/09/62/524300962.db2.gz CHAVYTFXLAGBBJ-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN Cc1ccc(-c2nnn(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)n2)cc1 ZINC000092546176 524892285 /nfs/dbraw/zinc/89/22/85/524892285.db2.gz IEECIQHKNKBGQL-UHFFFAOYSA-N 0 2 354.326 1.901 20 5 FDBDLN O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000126617183 525332220 /nfs/dbraw/zinc/33/22/20/525332220.db2.gz NYPJOJRLBFPVGB-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3ncccn3n2)cc1[N+](=O)[O-] ZINC000170932790 525776464 /nfs/dbraw/zinc/77/64/64/525776464.db2.gz KIIZOVXGBGIRLN-UHFFFAOYSA-N 0 2 368.762 1.795 20 5 FDBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nnnn1-c1ccccc1 ZINC000182022069 526023728 /nfs/dbraw/zinc/02/37/28/526023728.db2.gz MZIBJDVISIMMJJ-SNVBAGLBSA-N 0 2 354.326 1.767 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000267846850 536998769 /nfs/dbraw/zinc/99/87/69/536998769.db2.gz DGTQYJDYGHFJFQ-UHFFFAOYSA-N 0 2 368.411 1.874 20 5 FDBDLN O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000192681522 537229877 /nfs/dbraw/zinc/22/98/77/537229877.db2.gz ZVBGEEYOZTXIMR-UHFFFAOYSA-N 0 2 369.377 1.828 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000273216192 537416036 /nfs/dbraw/zinc/41/60/36/537416036.db2.gz OGJHLAZHNCDXHZ-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000200264532 537429009 /nfs/dbraw/zinc/42/90/09/537429009.db2.gz OCAALIFQNXHQSU-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000427687064 538228043 /nfs/dbraw/zinc/22/80/43/538228043.db2.gz HAWBBWOCFDDQGG-GOSISDBHSA-N 0 2 371.349 1.646 20 5 FDBDLN COC(=O)c1nscc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000447338186 538372188 /nfs/dbraw/zinc/37/21/88/538372188.db2.gz ABDIHFCDNNXDEZ-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560555742 545543467 /nfs/dbraw/zinc/54/34/67/545543467.db2.gz ZECHRPPBPYKJBE-UHFFFAOYSA-N 0 2 362.363 1.560 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000479890734 538840904 /nfs/dbraw/zinc/84/09/04/538840904.db2.gz OISLFLHNJTWKPD-UHFFFAOYSA-N 0 2 369.399 1.142 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000479890734 538840910 /nfs/dbraw/zinc/84/09/10/538840910.db2.gz OISLFLHNJTWKPD-UHFFFAOYSA-N 0 2 369.399 1.142 20 5 FDBDLN CCCS(=O)(=O)N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000506476454 538874047 /nfs/dbraw/zinc/87/40/47/538874047.db2.gz FZTWZBAJKIRGQI-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCC[C@H](OC)C1 ZINC000565142786 547217898 /nfs/dbraw/zinc/21/78/98/547217898.db2.gz VZHVFFXBGGGKHG-ITDIGPHOSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C([O-])c1ccnc(NCc2cc[nH+]c(N3CCOCC3)c2)c1[N+](=O)[O-] ZINC000566293672 547698096 /nfs/dbraw/zinc/69/80/96/547698096.db2.gz AOQCUIVXYDERMR-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CNC2=O ZINC000570121544 549166609 /nfs/dbraw/zinc/16/66/09/549166609.db2.gz IROABLSKKUKXPQ-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN COC(=O)c1ccnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000575366429 550458092 /nfs/dbraw/zinc/45/80/92/550458092.db2.gz BUKAMFGCZNJCAV-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN C[C@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000576346721 550538347 /nfs/dbraw/zinc/53/83/47/550538347.db2.gz NQUFEBSDHADOFE-ZFWWWQNUSA-N 0 2 363.414 1.974 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000578927632 550816276 /nfs/dbraw/zinc/81/62/76/550816276.db2.gz HKQYPODWSPRJBZ-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C)nc3ncnn32)c1 ZINC000589594231 551737424 /nfs/dbraw/zinc/73/74/24/551737424.db2.gz JRKCCIRFXRTJLY-UHFFFAOYSA-N 0 2 362.371 1.759 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592747204 552023417 /nfs/dbraw/zinc/02/34/17/552023417.db2.gz OIOLLZXXKWWABW-LBPRGKRZSA-N 0 2 369.805 1.891 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000594473400 552318941 /nfs/dbraw/zinc/31/89/41/552318941.db2.gz DSFYOCWXBIGVQV-SNVBAGLBSA-N 0 2 371.350 1.182 20 5 FDBDLN CS(=O)(=O)C1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000598205337 552875612 /nfs/dbraw/zinc/87/56/12/552875612.db2.gz YQHAPWJXVGXUKW-UHFFFAOYSA-N 0 2 356.400 1.778 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n(C)n1 ZINC000598733888 552928752 /nfs/dbraw/zinc/92/87/52/552928752.db2.gz FKSFBRLXRHMBSM-UHFFFAOYSA-N 0 2 368.415 1.935 20 5 FDBDLN CCn1nc(C)cc1NS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000600670459 553298074 /nfs/dbraw/zinc/29/80/74/553298074.db2.gz VVOQUWRUZNVCBK-UHFFFAOYSA-N 0 2 368.371 1.707 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000603980859 553834511 /nfs/dbraw/zinc/83/45/11/553834511.db2.gz XDTHTPZQJUVXGS-UHFFFAOYSA-N 0 2 360.779 1.892 20 5 FDBDLN O=C(c1c(O)cc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604484386 553880930 /nfs/dbraw/zinc/88/09/30/553880930.db2.gz OJTKSDBNPGTHID-UHFFFAOYSA-N 0 2 364.308 1.936 20 5 FDBDLN Cc1c(Br)cc(C(=O)N=c2cc(C(N)=O)[nH][nH]2)cc1[N+](=O)[O-] ZINC000611141660 554609238 /nfs/dbraw/zinc/60/92/38/554609238.db2.gz QVVZNMNMWTXIHC-UHFFFAOYSA-N 0 2 368.147 1.740 20 5 FDBDLN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000618244046 555598870 /nfs/dbraw/zinc/59/88/70/555598870.db2.gz ANZWLEJXIBGVSE-CQSZACIVSA-N 0 2 359.338 1.600 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619466472 555781661 /nfs/dbraw/zinc/78/16/61/555781661.db2.gz OCKHHGJTVGFAOH-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cn1 ZINC000619467768 555782254 /nfs/dbraw/zinc/78/22/54/555782254.db2.gz CGLNSLBVVPNIFE-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CNS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000619567321 555800312 /nfs/dbraw/zinc/80/03/12/555800312.db2.gz RUDANYYYXVGNKM-UHFFFAOYSA-N 0 2 366.355 1.429 20 5 FDBDLN NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000436632982 568098418 /nfs/dbraw/zinc/09/84/18/568098418.db2.gz HQGLXSFXYYEZIE-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000481960460 568196995 /nfs/dbraw/zinc/19/69/95/568196995.db2.gz DDZSEXKHUSVEPM-UHFFFAOYSA-N 0 2 363.149 1.850 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000436703884 568399096 /nfs/dbraw/zinc/39/90/96/568399096.db2.gz FUHJBWZMUMGKAZ-UHFFFAOYSA-N 0 2 368.411 1.731 20 5 FDBDLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000739505707 599783410 /nfs/dbraw/zinc/78/34/10/599783410.db2.gz DZMVUZHIHUXYQC-QGZVFWFLSA-N 0 2 355.350 1.899 20 5 FDBDLN CN(C(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000830485687 601018453 /nfs/dbraw/zinc/01/84/53/601018453.db2.gz MXGUKHAJIFIBBF-ZDUSSCGKSA-N 0 2 353.400 1.450 20 5 FDBDLN CN(C(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000830485687 601018455 /nfs/dbraw/zinc/01/84/55/601018455.db2.gz MXGUKHAJIFIBBF-ZDUSSCGKSA-N 0 2 353.400 1.450 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000833223406 601889953 /nfs/dbraw/zinc/88/99/53/601889953.db2.gz YGVLQTUOPWAFHY-CYBMUJFWSA-N 0 2 365.411 1.376 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000833223406 601889955 /nfs/dbraw/zinc/88/99/55/601889955.db2.gz YGVLQTUOPWAFHY-CYBMUJFWSA-N 0 2 365.411 1.376 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000739587156 601973272 /nfs/dbraw/zinc/97/32/72/601973272.db2.gz UIPKTEGFHKBVJE-AWEZNQCLSA-N 0 2 362.386 1.558 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000739587156 601973274 /nfs/dbraw/zinc/97/32/74/601973274.db2.gz UIPKTEGFHKBVJE-AWEZNQCLSA-N 0 2 362.386 1.558 20 5 FDBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737567010 602529629 /nfs/dbraw/zinc/52/96/29/602529629.db2.gz UFMXFTZCCPPDQX-LLVKDONJSA-N 0 2 350.375 1.996 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583791 602704719 /nfs/dbraw/zinc/70/47/19/602704719.db2.gz HVRJYMDNVRRVTB-CABCVRRESA-N 0 2 362.386 1.774 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583791 602704720 /nfs/dbraw/zinc/70/47/20/602704720.db2.gz HVRJYMDNVRRVTB-CABCVRRESA-N 0 2 362.386 1.774 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740152282 602768297 /nfs/dbraw/zinc/76/82/97/602768297.db2.gz JCPOQUBJJULTLA-AAEUAGOBSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740152282 602768298 /nfs/dbraw/zinc/76/82/98/602768298.db2.gz JCPOQUBJJULTLA-AAEUAGOBSA-N 0 2 350.375 1.820 20 5 FDBDLN CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273256348 674521045 /nfs/dbraw/zinc/52/10/45/674521045.db2.gz SJBACGBXNZHFAX-NSHDSACASA-N 0 2 353.400 1.730 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833586873 605402040 /nfs/dbraw/zinc/40/20/40/605402040.db2.gz HXENJWNNDTVAMS-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833586873 605402047 /nfs/dbraw/zinc/40/20/47/605402047.db2.gz HXENJWNNDTVAMS-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN O=C([O-])N1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000834026608 605545560 /nfs/dbraw/zinc/54/55/60/605545560.db2.gz CADBXCKMIMPBAY-NSHDSACASA-N 0 2 359.342 1.510 20 5 FDBDLN O=C([O-])N[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000834147144 605992712 /nfs/dbraw/zinc/99/27/12/605992712.db2.gz LFSJZQYGNZHHAO-LBPRGKRZSA-N 0 2 359.342 1.557 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000278126480 675096881 /nfs/dbraw/zinc/09/68/81/675096881.db2.gz BPTCLZAMFVZJIG-SNVBAGLBSA-N 0 2 354.344 1.939 20 5 FDBDLN CC[C@H](CS(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)OC ZINC000421165417 680613103 /nfs/dbraw/zinc/61/31/03/680613103.db2.gz MPRLSGJLMFKALG-LLVKDONJSA-N 0 2 360.388 1.857 20 5 FDBDLN CC[C@H](C(=O)OC)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436530090 681703110 /nfs/dbraw/zinc/70/31/10/681703110.db2.gz MOGJJKMZHIBFOV-CYBMUJFWSA-N 0 2 351.359 1.010 20 5 FDBDLN CS(=O)(=O)c1cccnc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436823898 681733391 /nfs/dbraw/zinc/73/33/91/681733391.db2.gz XOJDLIQFTJLWJD-UHFFFAOYSA-N 0 2 351.340 1.029 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(S(N)(=O)=O)c1 ZINC000436865171 681739544 /nfs/dbraw/zinc/73/95/44/681739544.db2.gz ROIXYZRAKHBXTI-SECBINFHSA-N 0 2 365.367 1.439 20 5 FDBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C ZINC000468370939 684901933 /nfs/dbraw/zinc/90/19/33/684901933.db2.gz CQJDGJBCLHXYFH-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN COC(=O)CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000486581747 686914714 /nfs/dbraw/zinc/91/47/14/686914714.db2.gz BYOZBOAAYPRGCC-UHFFFAOYSA-N 0 2 371.396 1.958 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2ncc(C(N)=O)s2)cc1[N+](=O)[O-] ZINC000493156613 687410237 /nfs/dbraw/zinc/41/02/37/687410237.db2.gz PHKVUAKZRGCQRU-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN O=C(Nc1nc(CN2CCOCC2)cs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507668096 688660774 /nfs/dbraw/zinc/66/07/74/688660774.db2.gz GMKKGSHLGGXAAU-UHFFFAOYSA-N 0 2 364.383 1.841 20 5 FDBDLN CC(C)c1n[nH]c(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000507877507 688685154 /nfs/dbraw/zinc/68/51/54/688685154.db2.gz VTKNCOVPCLPTNI-QMMMGPOBSA-N 0 2 350.335 1.550 20 5 FDBDLN CC(C)c1[nH]nc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000507877507 688685155 /nfs/dbraw/zinc/68/51/55/688685155.db2.gz VTKNCOVPCLPTNI-QMMMGPOBSA-N 0 2 350.335 1.550 20 5 FDBDLN CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C1 ZINC000277287434 781344400 /nfs/dbraw/zinc/34/44/00/781344400.db2.gz STDGMXCVXOYNMA-LLVKDONJSA-N 0 2 373.369 1.448 20 5 FDBDLN Cn1cc(C(=O)NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cn1 ZINC000364392278 785046211 /nfs/dbraw/zinc/04/62/11/785046211.db2.gz ZLEZATGTPGHVRD-UHFFFAOYSA-N 0 2 373.369 1.069 20 5 FDBDLN COc1cccc(N2C[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2=O)c1 ZINC000436965498 810129150 /nfs/dbraw/zinc/12/91/50/810129150.db2.gz SJBLKOZKFKEFCS-NSHDSACASA-N 0 2 371.349 1.844 20 5 FDBDLN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505591306 815883521 /nfs/dbraw/zinc/88/35/21/815883521.db2.gz ROVDZFRLUAVNAK-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN COc1ccccc1CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437756003 817317684 /nfs/dbraw/zinc/31/76/84/817317684.db2.gz ZAVVXMAFTXRMHM-UHFFFAOYSA-N 0 2 373.365 1.398 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000739588647 925285189 /nfs/dbraw/zinc/28/51/89/925285189.db2.gz BTGHRAGDPCGRMV-UHFFFAOYSA-N 0 2 370.369 1.119 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000788148395 932573976 /nfs/dbraw/zinc/57/39/76/932573976.db2.gz PCPMOTUVRONOIC-UHFFFAOYSA-N 0 2 360.355 1.425 20 5 FDBDLN Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000788180973 932579953 /nfs/dbraw/zinc/57/99/53/932579953.db2.gz YWMGYSZVDINQKH-JTQLQIEISA-N 0 2 366.296 1.346 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000788478018 932710079 /nfs/dbraw/zinc/71/00/79/932710079.db2.gz KYIYTRPXMPQKNX-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 ZINC000856612888 971257816 /nfs/dbraw/zinc/25/78/16/971257816.db2.gz QDJXLGYYUHVIGB-UONOGXRCSA-N 0 2 370.365 1.291 20 5 FDBDLN O=C([O-])Cc1ccc(N2CC[NH+](Cc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000844207040 947875427 /nfs/dbraw/zinc/87/54/27/947875427.db2.gz SSVLLEXAHMJMEE-UHFFFAOYSA-N 0 2 356.382 1.939 20 5 FDBDLN CCOC(=O)c1cc(C(=O)NCCc2n[nH]c(=S)o2)cc([N+](=O)[O-])c1 ZINC000773107134 956209465 /nfs/dbraw/zinc/20/94/65/956209465.db2.gz QHYXQTKTKNEUDU-UHFFFAOYSA-N 0 2 366.355 1.416 20 5 FDBDLN COc1ccc(CSCC(=O)OCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000774919820 964084541 /nfs/dbraw/zinc/08/45/41/964084541.db2.gz PBRCQRNYSMPRRC-UHFFFAOYSA-N 0 2 354.344 1.404 20 5 FDBDLN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N(C)CCc1nc(O)c(C)c(=O)[nH]1 ZINC001178893587 964528625 /nfs/dbraw/zinc/52/86/25/964528625.db2.gz KLYNLMZOSSNNNN-UHFFFAOYSA-N 0 2 364.333 1.867 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccn3n2)c([N+](=O)[O-])c1 ZINC000775192414 966533785 /nfs/dbraw/zinc/53/37/85/966533785.db2.gz OJSURXQADFVGSE-UHFFFAOYSA-N 0 2 364.299 1.347 20 5 FDBDLN COC(=O)N1CCC([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000777200023 983778893 /nfs/dbraw/zinc/77/88/93/983778893.db2.gz ZJJVNDAYQKJQHM-JTQLQIEISA-N 0 2 351.359 1.897 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)NC2(CCCC2)C1=O ZINC000372932851 991694873 /nfs/dbraw/zinc/69/48/73/991694873.db2.gz ZHVAZLAWTGHINW-VIFPVBQESA-N 0 2 362.342 1.492 20 5 FDBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879764586 995266864 /nfs/dbraw/zinc/26/68/64/995266864.db2.gz XBPLNZOFNZQCNK-OCCSQVGLSA-N 0 2 361.320 1.771 20 5 FDBDLN Cn1cc(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)cn1 ZINC000777611665 996371868 /nfs/dbraw/zinc/37/18/68/996371868.db2.gz WGNRDCMSUPYFJY-UHFFFAOYSA-N 0 2 367.343 1.086 20 5 FDBDLN CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000506622529 538901493 /nfs/dbraw/zinc/90/14/93/538901493.db2.gz CLXITKBQDIOVAM-UHFFFAOYSA-N 0 2 372.337 1.029 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000274847076 181176000 /nfs/dbraw/zinc/17/60/00/181176000.db2.gz GRVOKCSOYHVBMB-CQSZACIVSA-N 0 2 363.370 1.154 20 5 FDBDLN CCS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000534802300 540413922 /nfs/dbraw/zinc/41/39/22/540413922.db2.gz XWMWJBHSIKDIBK-UHFFFAOYSA-N 0 2 357.388 1.301 20 5 FDBDLN CS(=O)(=O)Nc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000536199401 540564936 /nfs/dbraw/zinc/56/49/36/540564936.db2.gz WSQAEYOPMGGCBA-UHFFFAOYSA-N 0 2 365.367 1.853 20 5 FDBDLN C[C@H](NC(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000541367644 541195571 /nfs/dbraw/zinc/19/55/71/541195571.db2.gz QMUHPSHSAKGIFZ-JTQLQIEISA-N 0 2 360.374 1.757 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH]n1 ZINC000541923754 541299452 /nfs/dbraw/zinc/29/94/52/541299452.db2.gz BSXSVIOFJDAPSG-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C)c1C ZINC000544099394 541712206 /nfs/dbraw/zinc/71/22/06/541712206.db2.gz WNJSOKUGQXCDQA-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000545467602 541977278 /nfs/dbraw/zinc/97/72/78/541977278.db2.gz XNDZLWISTLBQSH-GFCCVEGCSA-N 0 2 356.381 1.849 20 5 FDBDLN CCOC(=O)c1ccnc(N2CCc3c(ncn(CC)c3=O)C2)c1[N+](=O)[O-] ZINC000286351645 183046217 /nfs/dbraw/zinc/04/62/17/183046217.db2.gz CUGDXPVAOJLIEF-UHFFFAOYSA-N 0 2 373.369 1.306 20 5 FDBDLN COC(=O)c1cnn(C)c1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000295204393 184045046 /nfs/dbraw/zinc/04/50/46/184045046.db2.gz NXWQHZIQBUJJIN-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CCOC(=O)C(C)(C)ONC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000295528547 184080422 /nfs/dbraw/zinc/08/04/22/184080422.db2.gz JKFQPISBRSTFSK-UHFFFAOYSA-N 0 2 367.358 1.023 20 5 FDBDLN Cc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)o1 ZINC000296005586 184121343 /nfs/dbraw/zinc/12/13/43/184121343.db2.gz QCZHFSSULCQZSL-UHFFFAOYSA-N 0 2 357.304 1.612 20 5 FDBDLN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000547863090 542468081 /nfs/dbraw/zinc/46/80/81/542468081.db2.gz ICNLCVCOBCETTI-UHFFFAOYSA-N 0 2 369.355 1.704 20 5 FDBDLN NC(=O)C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000549541285 542897528 /nfs/dbraw/zinc/89/75/28/542897528.db2.gz KKMVWVRHJOBTJM-LBPRGKRZSA-N 0 2 367.358 1.629 20 5 FDBDLN O=C(NCCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000179517220 258352534 /nfs/dbraw/zinc/35/25/34/258352534.db2.gz IXXCMNUBERBJLQ-UHFFFAOYSA-N 0 2 359.386 1.981 20 5 FDBDLN Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000557118664 544247795 /nfs/dbraw/zinc/24/77/95/544247795.db2.gz RVOXDMJMECNYHD-UHFFFAOYSA-N 0 2 365.367 1.817 20 5 FDBDLN COc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)n1 ZINC000558479190 544444700 /nfs/dbraw/zinc/44/47/00/544444700.db2.gz PEHCVFRJBARUGQ-UHFFFAOYSA-N 0 2 371.346 1.625 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2ccc(-c3cnn(C)c3)n[nH]2)c1 ZINC000558793778 544532612 /nfs/dbraw/zinc/53/26/12/544532612.db2.gz NGWYQWYDTJAPLD-UHFFFAOYSA-N 0 2 368.353 2.436 20 5 FDBDLN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367532492 260056252 /nfs/dbraw/zinc/05/62/52/260056252.db2.gz BATHURPFMVZRIO-XHDPSFHLSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000367585862 260064830 /nfs/dbraw/zinc/06/48/30/260064830.db2.gz FNBFUKWQARPEDA-ABAIWWIYSA-N 0 2 359.382 1.916 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000367629767 260070439 /nfs/dbraw/zinc/07/04/39/260070439.db2.gz KKXZBJSDBBBBDK-AWEZNQCLSA-N 0 2 369.377 1.874 20 5 FDBDLN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000373377637 261005563 /nfs/dbraw/zinc/00/55/63/261005563.db2.gz OQSZFQUKDDXKOT-VIFPVBQESA-N 0 2 363.399 1.737 20 5 FDBDLN Cc1c([C@@H]2[C@@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC(=O)N2C)cnn1C ZINC000373895803 261050405 /nfs/dbraw/zinc/05/04/05/261050405.db2.gz PPGIVOVWFZBGCU-ZBEGNZNMSA-N 0 2 373.369 1.500 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000032087375 519481689 /nfs/dbraw/zinc/48/16/89/519481689.db2.gz BVAUBLXSNHBDFD-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000035677599 519612416 /nfs/dbraw/zinc/61/24/16/519612416.db2.gz XETJEUCHRVKYBK-GFCCVEGCSA-N 0 2 367.383 1.665 20 5 FDBDLN COCCCn1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000116160833 525108029 /nfs/dbraw/zinc/10/80/29/525108029.db2.gz MQGQONVFHSTDEO-UHFFFAOYSA-N 0 2 354.388 1.937 20 5 FDBDLN Cn1cc(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc(Cl)c1=O ZINC000118951925 525585212 /nfs/dbraw/zinc/58/52/12/525585212.db2.gz CAZDSGYSOPASQE-UHFFFAOYSA-N 0 2 361.738 1.887 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(C)nn2)c([N+](=O)[O-])c1 ZINC000129707912 525682482 /nfs/dbraw/zinc/68/24/82/525682482.db2.gz KTMGFYXEEFVRLA-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CCCCn1c2nc(-c3ccc([N+](=O)[O-])c(O)c3)n(CC)c2c(=O)[nH]c1=O ZINC000133559005 526071578 /nfs/dbraw/zinc/07/15/78/526071578.db2.gz BOILVLHQLSBTOT-UHFFFAOYSA-N 0 2 373.369 1.987 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000182148272 526074761 /nfs/dbraw/zinc/07/47/61/526074761.db2.gz DEDSXPPCDUNMNP-IAQYHMDHSA-N 0 2 359.382 1.916 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nncn3c2)c2ncccc12 ZINC000185693241 536215354 /nfs/dbraw/zinc/21/53/54/536215354.db2.gz PXAUGPGQXUFGCA-UHFFFAOYSA-N 0 2 370.350 1.987 20 5 FDBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)n1 ZINC000194889392 537345235 /nfs/dbraw/zinc/34/52/35/537345235.db2.gz OMHOGWGBDIORCY-UHFFFAOYSA-N 0 2 357.330 1.683 20 5 FDBDLN CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271436923 537441734 /nfs/dbraw/zinc/44/17/34/537441734.db2.gz GPWOSWPCZQHVEI-CYBMUJFWSA-N 0 2 371.415 1.833 20 5 FDBDLN CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000369966398 538083373 /nfs/dbraw/zinc/08/33/73/538083373.db2.gz ZAFAEVLLZVGCSD-CYBMUJFWSA-N 0 2 351.359 1.512 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000560488978 545520051 /nfs/dbraw/zinc/52/00/51/545520051.db2.gz GGIQZGNFAVVMCP-NSHDSACASA-N 0 2 360.370 1.085 20 5 FDBDLN COc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cccc1C(N)=O ZINC000442241823 538356560 /nfs/dbraw/zinc/35/65/60/538356560.db2.gz MHIBWJJIBRPCII-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)ccc1[N+](=O)[O-] ZINC000443456848 538397559 /nfs/dbraw/zinc/39/75/59/538397559.db2.gz WZLVODGBNLQRJA-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN CCCS(=O)(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000437001968 538415230 /nfs/dbraw/zinc/41/52/30/538415230.db2.gz RRDHYYDYTVNVIV-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN Cn1c2cc(O)c(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2n(C)c1=O ZINC000461613676 538533273 /nfs/dbraw/zinc/53/32/73/538533273.db2.gz MREAMEPHSYYBKV-UHFFFAOYSA-N 0 2 358.310 1.449 20 5 FDBDLN O=C(NCc1nc(C(F)(F)F)n[nH]1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000482216438 538616079 /nfs/dbraw/zinc/61/60/79/538616079.db2.gz DJRZDLQLCURMKM-UHFFFAOYSA-N 0 2 355.236 1.538 20 5 FDBDLN C[C@]1(c2cccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])c2)NC(=O)NC1=O ZINC000561310716 545797645 /nfs/dbraw/zinc/79/76/45/545797645.db2.gz MICBTDJBMSAXBN-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000561397816 545833121 /nfs/dbraw/zinc/83/31/21/545833121.db2.gz KCBNALIHVKEBOC-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN Cc1ccc(-c2nc(S(=O)(=O)Cc3c([N+](=O)[O-])ncn3C)n[nH]2)cc1 ZINC000562600362 546191803 /nfs/dbraw/zinc/19/18/03/546191803.db2.gz OEZNHRPUXTVJPV-UHFFFAOYSA-N 0 2 362.371 1.396 20 5 FDBDLN O=C(CSc1n[nH]c(=O)[nH]1)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564537815 546945429 /nfs/dbraw/zinc/94/54/29/546945429.db2.gz BRAOGLAXLZWZEZ-UHFFFAOYSA-N 0 2 362.371 1.351 20 5 FDBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])n[nH]1 ZINC000569781106 549044223 /nfs/dbraw/zinc/04/42/23/549044223.db2.gz WTSGIVPPVJFXTN-RKDXNWHRSA-N 0 2 354.392 1.661 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000570066830 549148162 /nfs/dbraw/zinc/14/81/62/549148162.db2.gz BVUJVLUNVSSLCI-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000571488307 549662022 /nfs/dbraw/zinc/66/20/22/549662022.db2.gz GRFALVHOAARZEP-UHFFFAOYSA-N 0 2 365.367 1.526 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)c1 ZINC000574955439 550398710 /nfs/dbraw/zinc/39/87/10/550398710.db2.gz PHCHNDGTUMGLFA-NSHDSACASA-N 0 2 352.372 1.629 20 5 FDBDLN CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000575185967 550440908 /nfs/dbraw/zinc/44/09/08/550440908.db2.gz PBUYLMGYUOLSCA-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000588862041 551694489 /nfs/dbraw/zinc/69/44/89/551694489.db2.gz JUURCTZRIMOYCM-ZJUUUORDSA-N 0 2 374.353 1.794 20 5 FDBDLN CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000593849220 552208805 /nfs/dbraw/zinc/20/88/05/552208805.db2.gz DCZKKJUHNQNMLS-CYBMUJFWSA-N 0 2 366.370 1.921 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cncc(OC(C)C)n2)cc1[N+](=O)[O-] ZINC000594582121 552337273 /nfs/dbraw/zinc/33/72/73/552337273.db2.gz MCVVHCVIPIDFEW-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FDBDLN CC(C)Oc1cncc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000594582398 552337581 /nfs/dbraw/zinc/33/75/81/552337581.db2.gz RYWRZHUBNQUTPE-UHFFFAOYSA-N 0 2 352.372 2.114 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594706101 552359857 /nfs/dbraw/zinc/35/98/57/552359857.db2.gz OAVZTZSYEAAFKQ-XHDPSFHLSA-N 0 2 374.415 1.787 20 5 FDBDLN O=C([O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000597161263 552755374 /nfs/dbraw/zinc/75/53/74/552755374.db2.gz KOESIENNGRNYTB-OAHLLOKOSA-N 0 2 374.353 1.390 20 5 FDBDLN CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000598045636 552860202 /nfs/dbraw/zinc/86/02/02/552860202.db2.gz UNIKLSWMXRQSOK-JTQLQIEISA-N 0 2 350.249 1.914 20 5 FDBDLN CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)nn1 ZINC000598505219 552903318 /nfs/dbraw/zinc/90/33/18/552903318.db2.gz FTBBPQALWRZOGW-UHFFFAOYSA-N 0 2 373.369 1.452 20 5 FDBDLN CC(C)CCn1ccc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])n1 ZINC000598612874 552915574 /nfs/dbraw/zinc/91/55/74/552915574.db2.gz DRZKJUDERFSTIO-UHFFFAOYSA-N 0 2 361.406 2.208 20 5 FDBDLN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600299781 553245932 /nfs/dbraw/zinc/24/59/32/553245932.db2.gz ACFRPYZVIYRQJT-UHFFFAOYSA-N 0 2 374.340 1.987 20 5 FDBDLN O=C(NCC[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000600803806 553316420 /nfs/dbraw/zinc/31/64/20/553316420.db2.gz WTDIBESZYFHKPJ-OAHLLOKOSA-N 0 2 360.366 1.998 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(OC)n1 ZINC000604471215 553879842 /nfs/dbraw/zinc/87/98/42/553879842.db2.gz HPPFFRWFLACGLJ-UHFFFAOYSA-N 0 2 369.355 1.816 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610034085 554451114 /nfs/dbraw/zinc/45/11/14/554451114.db2.gz DJSQEDBAJZWHLW-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)o1 ZINC000611103206 554605316 /nfs/dbraw/zinc/60/53/16/554605316.db2.gz KPCPUAZTMRBMFB-UHFFFAOYSA-N 0 2 356.312 1.789 20 5 FDBDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611226108 554617070 /nfs/dbraw/zinc/61/70/70/554617070.db2.gz QEYWTVOBBCVKJL-UHFFFAOYSA-N 0 2 354.388 1.960 20 5 FDBDLN CCNS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000611294788 554623764 /nfs/dbraw/zinc/62/37/64/554623764.db2.gz QPWVYXVISDFWDO-UHFFFAOYSA-N 0 2 365.367 1.851 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c[nH]1 ZINC000618906560 555694089 /nfs/dbraw/zinc/69/40/89/555694089.db2.gz NBWKWEKNKWZJEA-UHFFFAOYSA-N 0 2 354.344 1.437 20 5 FDBDLN CCOC(=O)c1ncc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000618906560 555694091 /nfs/dbraw/zinc/69/40/91/555694091.db2.gz NBWKWEKNKWZJEA-UHFFFAOYSA-N 0 2 354.344 1.437 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000619507517 555792545 /nfs/dbraw/zinc/79/25/45/555792545.db2.gz GLNCZGJCSDPSNB-UHFFFAOYSA-N 0 2 365.367 1.872 20 5 FDBDLN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436611843 568033282 /nfs/dbraw/zinc/03/32/82/568033282.db2.gz YVOUXXYTNULHKZ-LBPRGKRZSA-N 0 2 362.386 1.710 20 5 FDBDLN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436670494 568262778 /nfs/dbraw/zinc/26/27/78/568262778.db2.gz GHYMZIODNNSKTI-LBPRGKRZSA-N 0 2 363.292 1.293 20 5 FDBDLN COC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccncc1 ZINC000436696896 568347468 /nfs/dbraw/zinc/34/74/68/568347468.db2.gz IJRPCGZJSWXAOF-KRWDZBQOSA-N 0 2 359.338 1.904 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740095556 602778506 /nfs/dbraw/zinc/77/85/06/602778506.db2.gz CNPCRTRYHPFKJL-FZMZJTMJSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000740095556 602778508 /nfs/dbraw/zinc/77/85/08/602778508.db2.gz CNPCRTRYHPFKJL-FZMZJTMJSA-N 0 2 350.375 1.820 20 5 FDBDLN CCc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000276105402 674703838 /nfs/dbraw/zinc/70/38/38/674703838.db2.gz URNOPIXWJCONHA-UHFFFAOYSA-N 0 2 368.371 1.478 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000276981024 674823671 /nfs/dbraw/zinc/82/36/71/674823671.db2.gz YKLIQOQMQNPITC-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000023394944 670706058 /nfs/dbraw/zinc/70/60/58/670706058.db2.gz CYNRZPLLZCJABV-UHFFFAOYSA-N 0 2 368.327 1.895 20 5 FDBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000134111582 671826091 /nfs/dbraw/zinc/82/60/91/671826091.db2.gz FMMRURNLMQJQRK-UHFFFAOYSA-N 0 2 367.358 1.871 20 5 FDBDLN CCN(CC)S(=O)(=O)c1ccc(NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000442736460 682171968 /nfs/dbraw/zinc/17/19/68/682171968.db2.gz LJGMHUDTZWYCOL-UHFFFAOYSA-N 0 2 370.391 1.061 20 5 FDBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000467767045 684876347 /nfs/dbraw/zinc/87/63/47/684876347.db2.gz FZFNDUVSHRDULO-UHFFFAOYSA-N 0 2 362.327 1.077 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000494503725 687549541 /nfs/dbraw/zinc/54/95/41/687549541.db2.gz OWFDXNBYALDPFY-UHFFFAOYSA-N 0 2 354.344 1.511 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cncc(OC)c1 ZINC000500476984 688088202 /nfs/dbraw/zinc/08/82/02/688088202.db2.gz PPKNVYAHTRDPQW-UHFFFAOYSA-N 0 2 353.356 1.946 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cncc(F)c1)OCCO2 ZINC000500576940 688106935 /nfs/dbraw/zinc/10/69/35/688106935.db2.gz ICHAXNIXZAXDSQ-UHFFFAOYSA-N 0 2 355.303 1.701 20 5 FDBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000503683453 688377448 /nfs/dbraw/zinc/37/74/48/688377448.db2.gz KOVVTIDSKNSDCE-VIFPVBQESA-N 0 2 365.367 1.439 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376060261 785718255 /nfs/dbraw/zinc/71/82/55/785718255.db2.gz VPEKTYVUPRUREL-GFCCVEGCSA-N 0 2 356.338 1.340 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)c2cccnc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376060262 785718377 /nfs/dbraw/zinc/71/83/77/785718377.db2.gz VPEKTYVUPRUREL-LBPRGKRZSA-N 0 2 356.338 1.340 20 5 FDBDLN COc1ccccc1N1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000376062594 785738063 /nfs/dbraw/zinc/73/80/63/785738063.db2.gz TZIMCOUTFKTJDR-ZDUSSCGKSA-N 0 2 371.349 1.844 20 5 FDBDLN COc1ccccc1N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000436884059 816775192 /nfs/dbraw/zinc/77/51/92/816775192.db2.gz BEPBZRFXIPZIES-ZDUSSCGKSA-N 0 2 371.349 1.844 20 5 FDBDLN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1OCC(N)=O ZINC000506328423 817673677 /nfs/dbraw/zinc/67/36/77/817673677.db2.gz YBYCSSWRHFRWSL-UHFFFAOYSA-N 0 2 361.310 1.425 20 5 FDBDLN COc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)c(OC)c1 ZINC000509564448 817747654 /nfs/dbraw/zinc/74/76/54/817747654.db2.gz NOYGSMSOLOHMDY-UHFFFAOYSA-N 0 2 359.302 1.373 20 5 FDBDLN CCOc1cccc(CN2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001005379803 883159531 /nfs/dbraw/zinc/15/95/31/883159531.db2.gz WYIKDKGQNNETJQ-HZPDHXFCSA-N 0 2 362.430 1.568 20 5 FDBDLN Cc1cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)no1 ZINC000371816902 888138772 /nfs/dbraw/zinc/13/87/72/888138772.db2.gz RUIMILFKNBUBJC-UHFFFAOYSA-N 0 2 374.353 2.088 20 5 FDBDLN COCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273161800 911155283 /nfs/dbraw/zinc/15/52/83/911155283.db2.gz CIUAMHGZKIBXJA-UHFFFAOYSA-N 0 2 365.386 1.305 20 5 FDBDLN CC(C)[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000742291417 926002603 /nfs/dbraw/zinc/00/26/03/926002603.db2.gz VAXHERYXBLMMLR-LLVKDONJSA-N 0 2 367.387 1.926 20 5 FDBDLN Cc1noc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815038215 941768084 /nfs/dbraw/zinc/76/80/84/941768084.db2.gz HDZJWXRAJSYMFW-UHFFFAOYSA-N 0 2 350.715 1.557 20 5 FDBDLN C[C@H](C(=O)NOc1cccc(-c2nn[nH]n2)c1)c1cccc([N+](=O)[O-])c1 ZINC001573731836 948596867 /nfs/dbraw/zinc/59/68/67/948596867.db2.gz IMFNSNGFHAMEOX-JTQLQIEISA-N 0 2 354.326 1.989 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1CC1CCOCC1 ZINC001180015299 965075300 /nfs/dbraw/zinc/07/53/00/965075300.db2.gz GOCBMOMDIYBPNQ-AWEZNQCLSA-N 0 2 350.371 1.958 20 5 FDBDLN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCc2nc[nH]n2)c1Cl ZINC001192492804 969139817 /nfs/dbraw/zinc/13/98/17/969139817.db2.gz KOLXDNCPAYBTML-UHFFFAOYSA-N 0 2 366.186 1.541 20 5 FDBDLN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C ZINC000855119976 970161793 /nfs/dbraw/zinc/16/17/93/970161793.db2.gz KEMPYOSLDAAKMP-MWLCHTKSSA-N 0 2 353.379 1.357 20 5 FDBDLN CCn1c(=O)c2ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc2[nH]c1=S ZINC000851123565 978792771 /nfs/dbraw/zinc/79/27/71/978792771.db2.gz RXEYJSUEXJCBEK-UHFFFAOYSA-N 0 2 351.384 1.917 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2noc(C)n2)cc1[N+](=O)[O-] ZINC000777677030 1001421915 /nfs/dbraw/zinc/42/19/15/1001421915.db2.gz FYDWZVZXXRUTSB-UHFFFAOYSA-N 0 2 357.304 1.265 20 5 FDBDLN O=C1OCCN1c1ccc(S(=O)(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000777680127 1001448632 /nfs/dbraw/zinc/44/86/32/1001448632.db2.gz HILQCQIJJPVBFE-UHFFFAOYSA-N 0 2 365.327 1.142 20 5 FDBDLN O=C(NCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1n[nH]c2ccccc21 ZINC000948931604 1002841341 /nfs/dbraw/zinc/84/13/41/1002841341.db2.gz YOUBFEDGHWUIOZ-UKRRQHHQSA-N 0 2 371.397 1.197 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000953929135 1012907319 /nfs/dbraw/zinc/90/73/19/1012907319.db2.gz XIWUPTBADHCMNC-CZUORRHYSA-N 0 2 371.397 1.291 20 5 FDBDLN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000193784173 178180611 /nfs/dbraw/zinc/18/06/11/178180611.db2.gz QIYRVNDKVAUUES-JTQLQIEISA-N 0 2 358.358 1.711 20 5 FDBDLN Cc1nc(C)n(C[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)n1 ZINC000513649576 539002064 /nfs/dbraw/zinc/00/20/64/539002064.db2.gz ZOPLSTCICMKIHB-ZDUSSCGKSA-N 0 2 361.358 1.050 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CNC2=O ZINC000514812283 539019996 /nfs/dbraw/zinc/01/99/96/539019996.db2.gz NNQQGTQNCAVHLV-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN CCOC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517791971 539383999 /nfs/dbraw/zinc/38/39/99/539383999.db2.gz VZUKINUENSBRTK-UHFFFAOYSA-N 0 2 351.340 1.389 20 5 FDBDLN CCOC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000517791971 539384000 /nfs/dbraw/zinc/38/40/00/539384000.db2.gz VZUKINUENSBRTK-UHFFFAOYSA-N 0 2 351.340 1.389 20 5 FDBDLN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274695984 181148101 /nfs/dbraw/zinc/14/81/01/181148101.db2.gz OGNMSHLSTKTOEN-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274723427 181154931 /nfs/dbraw/zinc/15/49/31/181154931.db2.gz FDAUPRBAFGADSX-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN Nc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc(F)cc1[N+](=O)[O-] ZINC000533781770 540286133 /nfs/dbraw/zinc/28/61/33/540286133.db2.gz BOLVUVXDJFPJRG-UHFFFAOYSA-N 0 2 360.330 1.904 20 5 FDBDLN O=C(COc1ccc([N+](=O)[O-])cc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534436790 540368564 /nfs/dbraw/zinc/36/85/64/540368564.db2.gz NRYVNFRYJFFWBO-UHFFFAOYSA-N 0 2 357.351 1.948 20 5 FDBDLN Cc1cc(C(=O)NCCc2cccc([N+](=O)[O-])c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000536281512 540575154 /nfs/dbraw/zinc/57/51/54/540575154.db2.gz QMPUAFMLFTUBPG-UHFFFAOYSA-N 0 2 369.337 1.625 20 5 FDBDLN CNS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000536196387 540564798 /nfs/dbraw/zinc/56/47/98/540564798.db2.gz GKWCVIZQGGMTRD-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536198151 540564858 /nfs/dbraw/zinc/56/48/58/540564858.db2.gz OVDLMEVXMSOARJ-CYBMUJFWSA-N 0 2 371.415 1.833 20 5 FDBDLN CCCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000538308956 540839711 /nfs/dbraw/zinc/83/97/11/540839711.db2.gz KQRRCMUEVUIIED-NSHDSACASA-N 0 2 356.400 1.730 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000539855783 541000717 /nfs/dbraw/zinc/00/07/17/541000717.db2.gz ZKIUYYIUXTYSNK-UHFFFAOYSA-N 0 2 364.339 1.986 20 5 FDBDLN O=C([O-])CCCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000541268601 541179094 /nfs/dbraw/zinc/17/90/94/541179094.db2.gz QNPIQQFHUZWHNF-UHFFFAOYSA-N 0 2 371.415 1.156 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ncccn2)cc([N+](=O)[O-])c1C ZINC000543643185 541626866 /nfs/dbraw/zinc/62/68/66/541626866.db2.gz MWTDUDDXUGNLTL-UHFFFAOYSA-N 0 2 366.355 1.671 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000543656755 541628181 /nfs/dbraw/zinc/62/81/81/541628181.db2.gz BHIQIWGBGYISQN-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN O=C(NCc1ccc(N2CCOCC2)nc1)c1cccc(O)c1[N+](=O)[O-] ZINC000283009581 182089130 /nfs/dbraw/zinc/08/91/30/182089130.db2.gz PJTKPKLCSCNZPF-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000283651336 182241867 /nfs/dbraw/zinc/24/18/67/182241867.db2.gz OGUIVANJXBMKAF-WFASDCNBSA-N 0 2 350.371 1.598 20 5 FDBDLN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)co1 ZINC000547863019 542468043 /nfs/dbraw/zinc/46/80/43/542468043.db2.gz ASCLGWHPUWLKLE-UHFFFAOYSA-N 0 2 355.328 1.396 20 5 FDBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000080327289 172172440 /nfs/dbraw/zinc/17/24/40/172172440.db2.gz DNMXPEWQLHAYIW-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncnc1-n1cccn1 ZINC000127256556 173069881 /nfs/dbraw/zinc/06/98/81/173069881.db2.gz GGYODBUEIALPLG-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000132037995 173221380 /nfs/dbraw/zinc/22/13/80/173221380.db2.gz RRBUGZKCQCTMEE-UHFFFAOYSA-N 0 2 358.351 1.686 20 5 FDBDLN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000553228573 543591351 /nfs/dbraw/zinc/59/13/51/543591351.db2.gz SMHOLJNNDBFBTQ-LBPRGKRZSA-N 0 2 363.292 1.293 20 5 FDBDLN NC(=O)CCNC(=O)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000554185492 543756447 /nfs/dbraw/zinc/75/64/47/543756447.db2.gz KAONZNCFRIEGHG-UHFFFAOYSA-N 0 2 372.337 1.158 20 5 FDBDLN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367222293 260011896 /nfs/dbraw/zinc/01/18/96/260011896.db2.gz BEXOJVSUMXEBMH-LLVKDONJSA-N 0 2 370.365 1.408 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000367522658 260054679 /nfs/dbraw/zinc/05/46/79/260054679.db2.gz IBFFAVMRXSCUQI-OAHLLOKOSA-N 0 2 363.370 1.154 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000367635780 260071787 /nfs/dbraw/zinc/07/17/87/260071787.db2.gz LRUIXEIOVQOWBZ-UHFFFAOYSA-N 0 2 373.340 1.924 20 5 FDBDLN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000031134635 519414120 /nfs/dbraw/zinc/41/41/20/519414120.db2.gz LOIPZOZNIJUEBG-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000055585608 523828628 /nfs/dbraw/zinc/82/86/28/523828628.db2.gz ATFPBYUPZCQLAX-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN CC(C)(C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000104390470 525410860 /nfs/dbraw/zinc/41/08/60/525410860.db2.gz JYIDBBFHQJJWBA-UHFFFAOYSA-N 0 2 358.314 1.508 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2cccnc2-n2cncn2)cc1[N+](=O)[O-] ZINC000119103708 525636504 /nfs/dbraw/zinc/63/65/04/525636504.db2.gz BLXXICRNWNXUGJ-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000129673674 525679230 /nfs/dbraw/zinc/67/92/30/525679230.db2.gz PSUHUJCCTFCOQG-UHFFFAOYSA-N 0 2 374.806 1.971 20 5 FDBDLN Cc1cccc2c(=O)n(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc12 ZINC000120191750 525990180 /nfs/dbraw/zinc/99/01/80/525990180.db2.gz MUAVMNACHUWZCH-UHFFFAOYSA-N 0 2 354.322 1.957 20 5 FDBDLN O=C(Cc1cccc(F)c1)NCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000133263040 526042039 /nfs/dbraw/zinc/04/20/39/526042039.db2.gz GMUYCYUFIXNHEN-UHFFFAOYSA-N 0 2 361.329 1.528 20 5 FDBDLN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183917443 536066188 /nfs/dbraw/zinc/06/61/88/536066188.db2.gz OLBPHIBWBHZSKK-UHFFFAOYSA-N 0 2 356.342 1.926 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186673429 536240793 /nfs/dbraw/zinc/24/07/93/536240793.db2.gz BOROTQRITRGGOF-UHFFFAOYSA-N 0 2 371.357 1.113 20 5 FDBDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000272907756 537356916 /nfs/dbraw/zinc/35/69/16/537356916.db2.gz FPJRWAUVJXDQSM-UHFFFAOYSA-N 0 2 368.371 1.478 20 5 FDBDLN CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCCS1(=O)=O ZINC000271604542 537464437 /nfs/dbraw/zinc/46/44/37/537464437.db2.gz URFXJVVIWRJNDO-CYBMUJFWSA-N 0 2 357.388 1.299 20 5 FDBDLN Cn1cnnc1-c1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000359901013 537574082 /nfs/dbraw/zinc/57/40/82/537574082.db2.gz RMNJDVPKBLNCSE-UHFFFAOYSA-N 0 2 360.355 1.586 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436749392 538414058 /nfs/dbraw/zinc/41/40/58/538414058.db2.gz ARFSPFQTTHUVLA-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN CCCc1nsc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000461975610 538578756 /nfs/dbraw/zinc/57/87/56/538578756.db2.gz ZBANJAYRWQXWDQ-UHFFFAOYSA-N 0 2 371.444 1.211 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000560578259 545547964 /nfs/dbraw/zinc/54/79/64/545547964.db2.gz JOGPBTJBZKTFQP-ZIAGYGMSSA-N 0 2 354.384 1.482 20 5 FDBDLN Cc1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000468860402 538759440 /nfs/dbraw/zinc/75/94/40/538759440.db2.gz HCSCWPCHMIMLSV-UHFFFAOYSA-N 0 2 367.321 1.856 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000561221618 545755286 /nfs/dbraw/zinc/75/52/86/545755286.db2.gz YETNPDNFBWIVKS-GXFFZTMASA-N 0 2 371.415 1.138 20 5 FDBDLN C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567390906 548102426 /nfs/dbraw/zinc/10/24/26/548102426.db2.gz KIVWKSXQOXGACW-JTQLQIEISA-N 0 2 357.794 1.747 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C2 ZINC000573869522 550224581 /nfs/dbraw/zinc/22/45/81/550224581.db2.gz NNEDRGDBMRJGOO-GFCCVEGCSA-N 0 2 360.370 1.085 20 5 FDBDLN CN(C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000586866952 551628541 /nfs/dbraw/zinc/62/85/41/551628541.db2.gz XGECDSFHLXKBJH-NSHDSACASA-N 0 2 371.415 1.044 20 5 FDBDLN C[S@@](=O)C1(C(=O)[O-])CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592981384 552051244 /nfs/dbraw/zinc/05/12/44/552051244.db2.gz OPVZQTQSPPCYDW-RUZDIDTESA-N 0 2 363.395 1.945 20 5 FDBDLN O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593702200 552177263 /nfs/dbraw/zinc/17/72/63/552177263.db2.gz LROXOLGZQBVCFE-UONOGXRCSA-N 0 2 370.365 1.963 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000594721822 552363742 /nfs/dbraw/zinc/36/37/42/552363742.db2.gz WVRCSJFBKZPFEW-XHDPSFHLSA-N 0 2 374.415 1.534 20 5 FDBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])n[nH]1 ZINC000594781975 552383078 /nfs/dbraw/zinc/38/30/78/552383078.db2.gz ZAELLVAFHFSBKH-DTWKUNHWSA-N 0 2 354.392 1.661 20 5 FDBDLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000597161261 552755389 /nfs/dbraw/zinc/75/53/89/552755389.db2.gz KOESIENNGRNYTB-HNNXBMFYSA-N 0 2 374.353 1.390 20 5 FDBDLN CS(=O)(=O)C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000598203932 552875472 /nfs/dbraw/zinc/87/54/72/552875472.db2.gz FTNOVVVWBSOBEC-UHFFFAOYSA-N 0 2 356.400 1.778 20 5 FDBDLN C[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)NC(=O)NC1=O ZINC000603610406 553806124 /nfs/dbraw/zinc/80/61/24/553806124.db2.gz IRRWUDGYZSJTKW-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN CN(C)C(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000604097945 553841891 /nfs/dbraw/zinc/84/18/91/553841891.db2.gz CBPQIEFFRCVGRL-UHFFFAOYSA-N 0 2 373.365 1.697 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)c([N+](=O)[O-])c1 ZINC000608852546 554324807 /nfs/dbraw/zinc/32/48/07/554324807.db2.gz MSJDVOQCAHBKBN-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN CCc1ccc([C@H](COC)NS(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000610265250 554484815 /nfs/dbraw/zinc/48/48/15/554484815.db2.gz MJVKLFISWVPRTE-NSHDSACASA-N 0 2 355.372 1.811 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000619466932 555781788 /nfs/dbraw/zinc/78/17/88/555781788.db2.gz DZKOPAAEJHKGSI-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nn1 ZINC000619623446 555811976 /nfs/dbraw/zinc/81/19/76/555811976.db2.gz SJGOJJXCIZWOOM-UHFFFAOYSA-N 0 2 366.355 1.589 20 5 FDBDLN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000517924760 568255373 /nfs/dbraw/zinc/25/53/73/568255373.db2.gz IWOIUHIGVRTCLK-UHFFFAOYSA-N 0 2 357.369 1.194 20 5 FDBDLN COC(=O)C[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccn1 ZINC000436706637 568429489 /nfs/dbraw/zinc/42/94/89/568429489.db2.gz VPPDBKBPRXWPLG-KRWDZBQOSA-N 0 2 359.338 1.904 20 5 FDBDLN CCc1nn(Cc2cc(F)ccc2[N+](=O)[O-])c(=O)c(-c2nn[nH]n2)c1CC ZINC000736706013 598642203 /nfs/dbraw/zinc/64/22/03/598642203.db2.gz FNHKHPDQCYVHKI-UHFFFAOYSA-N 0 2 373.348 1.644 20 5 FDBDLN CN(C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000828212831 603142192 /nfs/dbraw/zinc/14/21/92/603142192.db2.gz VGDVQQQFOWTCJF-CYBMUJFWSA-N 0 2 373.369 1.995 20 5 FDBDLN C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833630199 605402059 /nfs/dbraw/zinc/40/20/59/605402059.db2.gz FUCDLEODWVPWHD-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833630199 605402064 /nfs/dbraw/zinc/40/20/64/605402064.db2.gz FUCDLEODWVPWHD-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1CCCS1(=O)=O ZINC000273335342 674528567 /nfs/dbraw/zinc/52/85/67/674528567.db2.gz JXPLXWJZLYPEGB-CYBMUJFWSA-N 0 2 357.388 1.299 20 5 FDBDLN O=C(COc1cccc(-c2nn[nH]n2)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826418765 608166854 /nfs/dbraw/zinc/16/68/54/608166854.db2.gz VNDBPKZOALAUFE-UHFFFAOYSA-N 0 2 356.298 1.498 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000028807914 670797056 /nfs/dbraw/zinc/79/70/56/670797056.db2.gz GBHVUDLQINBLEO-UHFFFAOYSA-N 0 2 368.327 1.895 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C2N=NC(=S)O2)CC1 ZINC000372234889 677874694 /nfs/dbraw/zinc/87/46/94/677874694.db2.gz AGJDXUJVOAQQRV-UHFFFAOYSA-N 0 2 350.356 1.992 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000414456300 679352591 /nfs/dbraw/zinc/35/25/91/679352591.db2.gz IZUYRNWFHHTVHU-UHFFFAOYSA-N 0 2 372.428 1.922 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H](O)C(F)F ZINC000435625788 681613305 /nfs/dbraw/zinc/61/33/05/681613305.db2.gz HEZZHQWKTVHWBC-SSDOTTSWSA-N 0 2 365.141 1.806 20 5 FDBDLN CS(=O)(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436955875 681747203 /nfs/dbraw/zinc/74/72/03/681747203.db2.gz JOHCTSSBLJUOGS-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccccc1Br ZINC000461117118 684563850 /nfs/dbraw/zinc/56/38/50/684563850.db2.gz PSJYPKUQRGSZTJ-UHFFFAOYSA-N 0 2 358.173 1.975 20 5 FDBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000469006843 684942252 /nfs/dbraw/zinc/94/22/52/684942252.db2.gz RWOBVCWOIWNOSH-LBPRGKRZSA-N 0 2 356.381 1.849 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n(C)n1 ZINC000486560225 686911886 /nfs/dbraw/zinc/91/18/86/686911886.db2.gz MJXHLAVLCJRLAU-UHFFFAOYSA-N 0 2 370.387 1.327 20 5 FDBDLN NC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000490399492 687141833 /nfs/dbraw/zinc/14/18/33/687141833.db2.gz OLQFTFVGOFOZDV-UHFFFAOYSA-N 0 2 358.339 1.793 20 5 FDBDLN Cc1nn(C)c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000512301857 689605384 /nfs/dbraw/zinc/60/53/84/689605384.db2.gz VRTQPHMXTWUVMF-UHFFFAOYSA-N 0 2 362.371 1.619 20 5 FDBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000515610183 689877610 /nfs/dbraw/zinc/87/76/10/689877610.db2.gz BFVOTPILDLVMMA-JTQLQIEISA-N 0 2 363.399 1.917 20 5 FDBDLN O=C(c1ccc[nH]1)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375714037 782984781 /nfs/dbraw/zinc/98/47/81/782984781.db2.gz IVKRRPWTQFGSHY-UHFFFAOYSA-N 0 2 358.354 1.617 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H](C(=O)[O-])O1 ZINC000262095930 774688617 /nfs/dbraw/zinc/68/86/17/774688617.db2.gz BOPYRRDTOOXYEK-QMTHXVAHSA-N 0 2 360.326 1.095 20 5 FDBDLN O=C(c1cccc(O)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436869138 809990954 /nfs/dbraw/zinc/99/09/54/809990954.db2.gz JEVUGAKWCVTUML-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000436940803 816803379 /nfs/dbraw/zinc/80/33/79/816803379.db2.gz YERLACMRGXYYIZ-UHFFFAOYSA-N 0 2 359.313 1.929 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC)cc1 ZINC000436986621 816833801 /nfs/dbraw/zinc/83/38/01/816833801.db2.gz GUANZOLUPNOJDZ-OAHLLOKOSA-N 0 2 360.322 1.953 20 5 FDBDLN COc1ccc(C(=O)NCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000508421320 821537312 /nfs/dbraw/zinc/53/73/12/821537312.db2.gz XSSSSORIIJZJTJ-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN C[N@H+](Cc1nc2c(o1)CCCC2)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430424 827801432 /nfs/dbraw/zinc/80/14/32/827801432.db2.gz BIBQYKSJKWKMGC-UKRRQHHQSA-N 0 2 362.430 1.641 20 5 FDBDLN COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)s[nH]2)c1 ZINC000478669806 844124713 /nfs/dbraw/zinc/12/47/13/844124713.db2.gz QLOIFDKQEKWPET-UHFFFAOYSA-N 0 2 373.350 1.897 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1(Br)CC1 ZINC000920063973 886581098 /nfs/dbraw/zinc/58/10/98/886581098.db2.gz SKHZQWKVXXYWNJ-UHFFFAOYSA-N 0 2 353.169 1.940 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1-c1noc(Cn2[nH]cc3c(=O)ncnc2-3)n1 ZINC000762070448 875133782 /nfs/dbraw/zinc/13/37/82/875133782.db2.gz QPXAQQHDBPIIKW-UHFFFAOYSA-N 0 2 353.298 1.386 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2n(n1)CCCC2 ZINC000449845598 888503990 /nfs/dbraw/zinc/50/39/90/888503990.db2.gz QRCKVNMFDJTCPS-UHFFFAOYSA-N 0 2 353.342 2.165 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1O ZINC000788166698 932593121 /nfs/dbraw/zinc/59/31/21/932593121.db2.gz KYKIGGVOFZNLBF-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN CC(C)N1C(=S)N=NC1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000788299247 932626978 /nfs/dbraw/zinc/62/69/78/932626978.db2.gz DFLMNANTAWNJDK-UHFFFAOYSA-N 0 2 351.388 1.734 20 5 FDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc2c(c1)NC(=O)CNC2=O ZINC000816054528 942049528 /nfs/dbraw/zinc/04/95/28/942049528.db2.gz HTVLAIKADOPQDK-UHFFFAOYSA-N 0 2 356.294 1.235 20 5 FDBDLN O=C([O-])Cc1ccc(N2CC[NH+](Cc3ccncc3)CC2)c([N+](=O)[O-])c1 ZINC000844206492 947876447 /nfs/dbraw/zinc/87/64/47/947876447.db2.gz DGHBBYPLOCAVRJ-UHFFFAOYSA-N 0 2 356.382 1.939 20 5 FDBDLN O=C(CCNC(=O)C(F)(F)F)COc1cc([N+](=O)[O-])c(F)cc1F ZINC000865371322 974260461 /nfs/dbraw/zinc/26/04/61/974260461.db2.gz XFPTTZPJVPQRHD-UHFFFAOYSA-N 0 2 356.203 1.890 20 5 FDBDLN C[C@@]1(c2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000776199650 975094911 /nfs/dbraw/zinc/09/49/11/975094911.db2.gz JEVLAPNTKRTMCM-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000795040561 984654985 /nfs/dbraw/zinc/65/49/85/984654985.db2.gz KEDNANKDRATRNM-UHFFFAOYSA-N 0 2 371.309 1.251 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443983 986794544 /nfs/dbraw/zinc/79/45/44/986794544.db2.gz HKJZHPLMYZVSJA-GHMZBOCLSA-N 0 2 374.357 1.159 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443983 986794550 /nfs/dbraw/zinc/79/45/50/986794550.db2.gz HKJZHPLMYZVSJA-GHMZBOCLSA-N 0 2 374.357 1.159 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2C)cc1[N+](=O)[O-] ZINC000777665616 1001290840 /nfs/dbraw/zinc/29/08/40/1001290840.db2.gz MYVZUIPIBYTIQR-UHFFFAOYSA-N 0 2 369.359 1.616 20 5 FDBDLN N=C1NC(=O)[C@H](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])S1 ZINC000778463871 1006308915 /nfs/dbraw/zinc/30/89/15/1006308915.db2.gz QQDKBWAEGYDQPA-JTQLQIEISA-N 0 2 356.791 1.463 20 5 FDBDLN NS(=O)(=O)Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000508558618 538934239 /nfs/dbraw/zinc/93/42/39/538934239.db2.gz BFBUGMIEEGWSBU-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)S1 ZINC000269385206 180290656 /nfs/dbraw/zinc/29/06/56/180290656.db2.gz ZJPWBLPRKVZMEN-JTQLQIEISA-N 0 2 350.400 1.550 20 5 FDBDLN CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000478643126 538757627 /nfs/dbraw/zinc/75/76/27/538757627.db2.gz CWAHLFUUBFEKQN-UHFFFAOYSA-N 0 2 350.375 1.566 20 5 FDBDLN NS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000537288032 540712777 /nfs/dbraw/zinc/71/27/77/540712777.db2.gz ZVQZNKAKHYDIBQ-UHFFFAOYSA-N 0 2 371.758 1.854 20 5 FDBDLN CC(C)NS(=O)(=O)c1c[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000537773618 540772817 /nfs/dbraw/zinc/77/28/17/540772817.db2.gz FHEZDOPUIZSDPL-UHFFFAOYSA-N 0 2 368.371 1.568 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000545888217 542039423 /nfs/dbraw/zinc/03/94/23/542039423.db2.gz UOLOVVKNEABJCO-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000546968435 542266331 /nfs/dbraw/zinc/26/63/31/542266331.db2.gz SAZIGOSMSVCKGZ-UHFFFAOYSA-N 0 2 369.399 1.070 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179473630 258351296 /nfs/dbraw/zinc/35/12/96/258351296.db2.gz KUVBJJHVHPKQIS-JTQLQIEISA-N 0 2 358.358 1.711 20 5 FDBDLN O=C(CSc1n[nH]c(=O)[nH]1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000557157240 544255243 /nfs/dbraw/zinc/25/52/43/544255243.db2.gz MNYOLCCAPGSZLK-UHFFFAOYSA-N 0 2 374.176 1.912 20 5 FDBDLN CN=c1[nH]nc(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)s1 ZINC000557160425 544255761 /nfs/dbraw/zinc/25/57/61/544255761.db2.gz UIXCBKHTTORZRF-UHFFFAOYSA-N 0 2 372.204 2.432 20 5 FDBDLN COCCn1ncc2c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000373472620 261013629 /nfs/dbraw/zinc/01/36/29/261013629.db2.gz OTMUHUKFYSIWGP-AWEZNQCLSA-N 0 2 360.370 1.951 20 5 FDBDLN CS(=O)(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000011360580 518557771 /nfs/dbraw/zinc/55/77/71/518557771.db2.gz ZINVCTJLSUGUAS-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000046704710 522339088 /nfs/dbraw/zinc/33/90/88/522339088.db2.gz FJQVFTCVLLFCDQ-UHFFFAOYSA-N 0 2 364.339 1.574 20 5 FDBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000063476571 522596873 /nfs/dbraw/zinc/59/68/73/522596873.db2.gz DGPIPGFMXKISLF-UHFFFAOYSA-N 0 2 356.335 1.334 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)c(F)c1 ZINC000135813988 524170082 /nfs/dbraw/zinc/17/00/82/524170082.db2.gz FIMZWUFJIBDTNL-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN CCn1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)ccc1=O ZINC000111607093 524309981 /nfs/dbraw/zinc/30/99/81/524309981.db2.gz RZRIYYGGBDGNBW-UHFFFAOYSA-N 0 2 355.314 1.209 20 5 FDBDLN C[N@H+](CCN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000174847271 524760602 /nfs/dbraw/zinc/76/06/02/524760602.db2.gz NJMAAHWOGSOQKG-UHFFFAOYSA-N 0 2 372.473 1.541 20 5 FDBDLN O=C(CNC(=O)c1cc(F)cc(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000126616965 525333054 /nfs/dbraw/zinc/33/30/54/525333054.db2.gz UWOLAGADJFRTMF-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185137189 536199680 /nfs/dbraw/zinc/19/96/80/536199680.db2.gz GJVBKXXQUQPVRE-IAQYHMDHSA-N 0 2 360.370 1.620 20 5 FDBDLN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263348799 537021088 /nfs/dbraw/zinc/02/10/88/537021088.db2.gz PFWYNEPCBBMVKD-YPMHNXCESA-N 0 2 358.354 1.963 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c([N+](=O)[O-])c1 ZINC000270451284 537336836 /nfs/dbraw/zinc/33/68/36/537336836.db2.gz FDOYGTCPZFQHMD-UHFFFAOYSA-N 0 2 352.372 1.626 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000324703364 537619876 /nfs/dbraw/zinc/61/98/76/537619876.db2.gz YXQRVQKONWAZON-UHFFFAOYSA-N 0 2 374.762 1.419 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nc(CN(C)C)cs2)c([N+](=O)[O-])c1 ZINC000414461771 537813985 /nfs/dbraw/zinc/81/39/85/537813985.db2.gz SLUPOJOUSPHGAV-UHFFFAOYSA-N 0 2 372.428 1.922 20 5 FDBDLN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000434966424 538370936 /nfs/dbraw/zinc/37/09/36/538370936.db2.gz BIZYYTNKWGJWLW-UHFFFAOYSA-N 0 2 362.367 1.917 20 5 FDBDLN COc1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1C(N)=O ZINC000466961317 538584246 /nfs/dbraw/zinc/58/42/46/538584246.db2.gz IUSLZSUMLPEFMZ-UHFFFAOYSA-N 0 2 372.384 1.268 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnn(C)c2)c(C)c([N+](=O)[O-])c1 ZINC000486001711 538862065 /nfs/dbraw/zinc/86/20/65/538862065.db2.gz HMZIXTYPVFTZMN-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN CNC(=O)COc1cccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000561491602 545873047 /nfs/dbraw/zinc/87/30/47/545873047.db2.gz TVNRSAPAPXBSRT-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000565306579 547300816 /nfs/dbraw/zinc/30/08/16/547300816.db2.gz CCRHHVKEVNMCHI-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567956102 548336064 /nfs/dbraw/zinc/33/60/64/548336064.db2.gz FJMIQWKEVAZIFE-PWSUYJOCSA-N 0 2 369.805 1.889 20 5 FDBDLN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000570897996 549451291 /nfs/dbraw/zinc/45/12/91/549451291.db2.gz LIAVFZVWRHYYOG-LLVKDONJSA-N 0 2 368.357 1.518 20 5 FDBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000581439313 551088978 /nfs/dbraw/zinc/08/89/78/551088978.db2.gz QOAQNJHWKVPMGQ-UHFFFAOYSA-N 0 2 371.357 1.964 20 5 FDBDLN Cc1nn(C)c(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000582549409 551240413 /nfs/dbraw/zinc/24/04/13/551240413.db2.gz ZVPRWSDCTBLCOI-UHFFFAOYSA-N 0 2 360.374 1.447 20 5 FDBDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000592901079 552040885 /nfs/dbraw/zinc/04/08/85/552040885.db2.gz IMQCTCNXDFKSKX-CYBMUJFWSA-N 0 2 361.276 1.441 20 5 FDBDLN CS(=O)(=O)N1CCC(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000594336272 552290944 /nfs/dbraw/zinc/29/09/44/552290944.db2.gz QXQSNESQPUUUHR-UHFFFAOYSA-N 0 2 357.388 1.301 20 5 FDBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000594775699 552380413 /nfs/dbraw/zinc/38/04/13/552380413.db2.gz GQINOAYAMYMUKC-GMSGAONNSA-N 0 2 355.294 1.114 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000597853730 552841098 /nfs/dbraw/zinc/84/10/98/552841098.db2.gz VXPJBWFKXIUFJA-GFCCVEGCSA-N 0 2 352.343 1.483 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000599249695 553002253 /nfs/dbraw/zinc/00/22/53/553002253.db2.gz DZYSHGZYECXRCD-BDAKNGLRSA-N 0 2 370.353 1.975 20 5 FDBDLN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600424313 553265045 /nfs/dbraw/zinc/26/50/45/553265045.db2.gz BKCZXRFKGHIVFQ-PWSUYJOCSA-N 0 2 352.343 1.389 20 5 FDBDLN O=C(NCC[C@@H](O)COCc1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000600801779 553316104 /nfs/dbraw/zinc/31/61/04/553316104.db2.gz KSLOHCTWAGSIMF-CQSZACIVSA-N 0 2 360.366 1.998 20 5 FDBDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000602070806 553512988 /nfs/dbraw/zinc/51/29/88/553512988.db2.gz HBYBWRSVMVMHSY-UHFFFAOYSA-N 0 2 372.380 1.505 20 5 FDBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196735 553537737 /nfs/dbraw/zinc/53/77/37/553537737.db2.gz AXEIWSGSZDVNBC-UHFFFAOYSA-N 0 2 356.382 1.696 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000610732545 554555481 /nfs/dbraw/zinc/55/54/81/554555481.db2.gz VABZAOLIHLVDQW-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1S(N)(=O)=O ZINC000611294773 554623801 /nfs/dbraw/zinc/62/38/01/554623801.db2.gz JPLKTINZESXIFE-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN NS(=O)(=O)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000611534936 554642976 /nfs/dbraw/zinc/64/29/76/554642976.db2.gz MTCJTIUIMLRIAS-UHFFFAOYSA-N 0 2 365.367 1.019 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000611534448 554643055 /nfs/dbraw/zinc/64/30/55/554643055.db2.gz AVBKSRJNXFLOIL-UHFFFAOYSA-N 0 2 362.386 1.664 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(NC(N)=O)cc1 ZINC000619466471 555781887 /nfs/dbraw/zinc/78/18/87/555781887.db2.gz NVMKQDZZXPOZSE-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN O=C(NCCc1nnnn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436645736 568233198 /nfs/dbraw/zinc/23/31/98/568233198.db2.gz CMKVAEYZGDSLNI-UHFFFAOYSA-N 0 2 354.326 1.249 20 5 FDBDLN O=C(c1cccc(O)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436677420 568284044 /nfs/dbraw/zinc/28/40/44/568284044.db2.gz CONSUTJOGBTJQC-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN Cc1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccc1[C@H](C)O ZINC000272129724 674416620 /nfs/dbraw/zinc/41/66/20/674416620.db2.gz RWRTZPGNRTZCEB-JTQLQIEISA-N 0 2 369.374 1.969 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832958563 601023998 /nfs/dbraw/zinc/02/39/98/601023998.db2.gz LGZOYDJBHIZNIA-GFCCVEGCSA-N 0 2 353.400 1.734 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832958563 601024002 /nfs/dbraw/zinc/02/40/02/601024002.db2.gz LGZOYDJBHIZNIA-GFCCVEGCSA-N 0 2 353.400 1.734 20 5 FDBDLN O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000262656350 601032749 /nfs/dbraw/zinc/03/27/49/601032749.db2.gz KPNIEVPUFPINDO-VIFPVBQESA-N 0 2 351.315 1.059 20 5 FDBDLN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000262656350 601032751 /nfs/dbraw/zinc/03/27/51/601032751.db2.gz KPNIEVPUFPINDO-VIFPVBQESA-N 0 2 351.315 1.059 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832975998 601259700 /nfs/dbraw/zinc/25/97/00/601259700.db2.gz GIDZKRZVHMRSAA-LBPRGKRZSA-N 0 2 371.415 1.073 20 5 FDBDLN C[C@H](NC(=O)[O-])C1CC[NH+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000739015304 602425574 /nfs/dbraw/zinc/42/55/74/602425574.db2.gz NQIFQEVLKAAOIH-JTQLQIEISA-N 0 2 364.358 1.828 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583797 602704800 /nfs/dbraw/zinc/70/48/00/602704800.db2.gz HVRJYMDNVRRVTB-LSDHHAIUSA-N 0 2 362.386 1.774 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583797 602704803 /nfs/dbraw/zinc/70/48/03/602704803.db2.gz HVRJYMDNVRRVTB-LSDHHAIUSA-N 0 2 362.386 1.774 20 5 FDBDLN O=C([O-])NC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000740612690 603036419 /nfs/dbraw/zinc/03/64/19/603036419.db2.gz PFQYPFIOLJWLKB-LBPRGKRZSA-N 0 2 359.342 1.557 20 5 FDBDLN O=C([O-])N1CC[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740723058 603173599 /nfs/dbraw/zinc/17/35/99/603173599.db2.gz UNYNKRJHVDEARH-NSHDSACASA-N 0 2 360.326 1.937 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CNC(=O)[O-])C1 ZINC000828513393 603510811 /nfs/dbraw/zinc/51/08/11/603510811.db2.gz JTFOQXHQJIFTCL-SNVBAGLBSA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](CNC(=O)[O-])C1 ZINC000828513393 603510812 /nfs/dbraw/zinc/51/08/12/603510812.db2.gz JTFOQXHQJIFTCL-SNVBAGLBSA-N 0 2 356.766 1.272 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830137689 603578302 /nfs/dbraw/zinc/57/83/02/603578302.db2.gz FKBMQPLNXSFTFM-CYBMUJFWSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830137689 603578307 /nfs/dbraw/zinc/57/83/07/603578307.db2.gz FKBMQPLNXSFTFM-CYBMUJFWSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830531064 603581873 /nfs/dbraw/zinc/58/18/73/603581873.db2.gz BQLPVOYWOXVYNE-GFCCVEGCSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000830531064 603581874 /nfs/dbraw/zinc/58/18/74/603581874.db2.gz BQLPVOYWOXVYNE-GFCCVEGCSA-N 0 2 350.375 1.916 20 5 FDBDLN CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC000833656140 605402217 /nfs/dbraw/zinc/40/22/17/605402217.db2.gz HQKPDPUDJKWFQF-WDEREUQCSA-N 0 2 371.415 1.396 20 5 FDBDLN CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC000833656140 605402221 /nfs/dbraw/zinc/40/22/21/605402221.db2.gz HQKPDPUDJKWFQF-WDEREUQCSA-N 0 2 371.415 1.396 20 5 FDBDLN C[C@@H]1CN(C(=O)[O-])[C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000833838635 605838057 /nfs/dbraw/zinc/83/80/57/605838057.db2.gz WRUMVGZFLLINKI-NEPJUHHUSA-N 0 2 373.369 1.993 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000278451280 675139347 /nfs/dbraw/zinc/13/93/47/675139347.db2.gz XYGWIJBAKCCYCS-UHFFFAOYSA-N 0 2 358.332 1.324 20 5 FDBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000278538236 675151093 /nfs/dbraw/zinc/15/10/93/675151093.db2.gz WRXWQTLLCDHAJL-UHFFFAOYSA-N 0 2 370.343 1.518 20 5 FDBDLN COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000436894839 681741930 /nfs/dbraw/zinc/74/19/30/681741930.db2.gz URIQPHRJTGLXSM-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H]1C ZINC000436894839 681741932 /nfs/dbraw/zinc/74/19/32/681741932.db2.gz URIQPHRJTGLXSM-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436959863 681747683 /nfs/dbraw/zinc/74/76/83/681747683.db2.gz ISEHCPJOPLIIPK-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN CCn1cc(S(=O)(=O)[N-]c2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])n1 ZINC000443419122 682294869 /nfs/dbraw/zinc/29/48/69/682294869.db2.gz OYLDYPHUHZMNHT-UHFFFAOYSA-N 0 2 362.371 1.798 20 5 FDBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000503683452 688377548 /nfs/dbraw/zinc/37/75/48/688377548.db2.gz KOVVTIDSKNSDCE-SECBINFHSA-N 0 2 365.367 1.439 20 5 FDBDLN CS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000515239661 689832191 /nfs/dbraw/zinc/83/21/91/689832191.db2.gz KNGCICWRPMZKHA-UHFFFAOYSA-N 0 2 368.342 1.773 20 5 FDBDLN CC(C)c1nsc(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000531170885 694823594 /nfs/dbraw/zinc/82/35/94/694823594.db2.gz XYRMTLWWOXBBKX-UHFFFAOYSA-N 0 2 371.444 1.382 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000376909859 790841728 /nfs/dbraw/zinc/84/17/28/790841728.db2.gz GXFXGZPHRSQRJW-GFCCVEGCSA-N 0 2 356.338 1.340 20 5 FDBDLN CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C1 ZINC000277287441 781344954 /nfs/dbraw/zinc/34/49/54/781344954.db2.gz STDGMXCVXOYNMA-NSHDSACASA-N 0 2 373.369 1.448 20 5 FDBDLN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412324922 793635524 /nfs/dbraw/zinc/63/55/24/793635524.db2.gz RITIMIKAAXSJHL-KWCYVHTRSA-N 0 2 357.370 1.928 20 5 FDBDLN O=C([O-])C(=O)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000515062092 816089367 /nfs/dbraw/zinc/08/93/67/816089367.db2.gz AVSVMGCXALZAQX-UHFFFAOYSA-N 0 2 374.353 1.021 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc(F)cc2c(=O)c3cccc(F)c3[nH]c12 ZINC000444099528 826250976 /nfs/dbraw/zinc/25/09/76/826250976.db2.gz SLTMQLHNGHPIQJ-UHFFFAOYSA-N 0 2 371.303 1.713 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)NCc1nc3cc([N+](=O)[O-])ccc3[nH]1)c2=O ZINC000444639857 828169544 /nfs/dbraw/zinc/16/95/44/828169544.db2.gz QQWJAAHFUQSIGS-UHFFFAOYSA-N 0 2 367.325 1.388 20 5 FDBDLN CCN1C(C)=C(C(=O)N(C)C)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC1=S ZINC000916164024 881421611 /nfs/dbraw/zinc/42/16/11/881421611.db2.gz SEUAUIILAIIASI-AWEZNQCLSA-N 0 2 364.427 1.914 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnn2ccncc12 ZINC000496035112 877355241 /nfs/dbraw/zinc/35/52/41/877355241.db2.gz VQCRHHORTFKALG-UHFFFAOYSA-N 0 2 350.298 1.675 20 5 FDBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccnc3ncnn32)cc1[N+](=O)[O-] ZINC000790639110 933638357 /nfs/dbraw/zinc/63/83/57/933638357.db2.gz WBBKUQLDJJQGTC-UHFFFAOYSA-N 0 2 368.762 1.795 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnnn2C)c(C)c1[N+](=O)[O-] ZINC000808564245 940556497 /nfs/dbraw/zinc/55/64/97/940556497.db2.gz KWFMKJOKCSRDET-UHFFFAOYSA-N 0 2 356.320 1.049 20 5 FDBDLN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000814047806 941536779 /nfs/dbraw/zinc/53/67/79/941536779.db2.gz OWQKDGOOBACQRE-SECBINFHSA-N 0 2 371.396 1.766 20 5 FDBDLN CN1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814999456 941757178 /nfs/dbraw/zinc/75/71/78/941757178.db2.gz ZENOQUATBYNAGC-QMMMGPOBSA-N 0 2 351.787 1.760 20 5 FDBDLN COC(=O)[C@@](C)(NC(=O)C(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300961 972777133 /nfs/dbraw/zinc/77/71/33/972777133.db2.gz KWWZSBSSBMFRDA-SKDRFNHKSA-N 0 2 352.240 2.000 20 5 FDBDLN COC(=O)[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300961 972777143 /nfs/dbraw/zinc/77/71/43/972777143.db2.gz KWWZSBSSBMFRDA-SKDRFNHKSA-N 0 2 352.240 2.000 20 5 FDBDLN O=C(Nc1cccnc1N1CCC(O)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000776136335 974963282 /nfs/dbraw/zinc/96/32/82/974963282.db2.gz AAVLSNFEYIOOJC-UHFFFAOYSA-N 0 2 358.354 1.909 20 5 FDBDLN CCO/C=C\[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000848179210 976433407 /nfs/dbraw/zinc/43/34/07/976433407.db2.gz OYGATFWCTBZOGZ-SZZPACECSA-N 0 2 364.276 1.874 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588011 976921630 /nfs/dbraw/zinc/92/16/30/976921630.db2.gz OFAJBSHOSDNEKT-UHFFFAOYSA-N 0 2 357.273 1.139 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595487066 981231139 /nfs/dbraw/zinc/23/11/39/981231139.db2.gz HJTBINIJEIVPME-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595487066 981231145 /nfs/dbraw/zinc/23/11/45/981231145.db2.gz HJTBINIJEIVPME-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001596388493 983918248 /nfs/dbraw/zinc/91/82/48/983918248.db2.gz VIAWJMYIWSWRDS-UHFFFAOYSA-N 0 2 351.340 1.903 20 5 FDBDLN CC[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H](C)C1 ZINC001596438575 984127889 /nfs/dbraw/zinc/12/78/89/984127889.db2.gz KQOWZJNVOWNEFO-SNVBAGLBSA-N 0 2 357.388 1.008 20 5 FDBDLN CC[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])[C@H](C)C1 ZINC001596438575 984127892 /nfs/dbraw/zinc/12/78/92/984127892.db2.gz KQOWZJNVOWNEFO-SNVBAGLBSA-N 0 2 357.388 1.008 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC001599925323 985191677 /nfs/dbraw/zinc/19/16/77/985191677.db2.gz BOPYRRDTOOXYEK-HZMBPMFUSA-N 0 2 360.326 1.095 20 5 FDBDLN O=C(c1ccc[nH]1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372326537 991017170 /nfs/dbraw/zinc/01/71/70/991017170.db2.gz OBDRAMBAUZOQJS-UHFFFAOYSA-N 0 2 358.354 1.617 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000779651509 1010673817 /nfs/dbraw/zinc/67/38/17/1010673817.db2.gz IDBPMJKCHDZIPW-KBPBESRZSA-N 0 2 358.310 1.210 20 5 FDBDLN CC(C)CS(=O)(=O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000264080214 179024834 /nfs/dbraw/zinc/02/48/34/179024834.db2.gz ZEXMXFVDHMNLAG-UHFFFAOYSA-N 0 2 367.387 1.389 20 5 FDBDLN CCc1n[nH]c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000264623024 179150996 /nfs/dbraw/zinc/15/09/96/179150996.db2.gz UWZKZFSPFYGBHE-UHFFFAOYSA-N 0 2 362.371 1.863 20 5 FDBDLN CCc1[nH]nc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000264623024 179150997 /nfs/dbraw/zinc/15/09/97/179150997.db2.gz UWZKZFSPFYGBHE-UHFFFAOYSA-N 0 2 362.371 1.863 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000523458837 539609707 /nfs/dbraw/zinc/60/97/07/539609707.db2.gz AUKSWQRKHCZQMK-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(-c2nc[nH]n2)no1 ZINC000269827885 180399802 /nfs/dbraw/zinc/39/98/02/180399802.db2.gz IKGOUQDWUGJIPP-NSHDSACASA-N 0 2 373.329 1.596 20 5 FDBDLN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000530881539 540061511 /nfs/dbraw/zinc/06/15/11/540061511.db2.gz KVASACAXXUSRPE-LBPRGKRZSA-N 0 2 352.343 1.485 20 5 FDBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(-c2nc[nH]n2)no1 ZINC000275035766 181222457 /nfs/dbraw/zinc/22/24/57/181222457.db2.gz JBURGKLVGCXGNB-LLVKDONJSA-N 0 2 373.329 1.596 20 5 FDBDLN O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535834629 540518015 /nfs/dbraw/zinc/51/80/15/540518015.db2.gz LNULJKKMBJTSLZ-UHFFFAOYSA-N 0 2 356.342 1.920 20 5 FDBDLN O=C(NCCCN1C(=O)COc2ccccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000537228739 540704123 /nfs/dbraw/zinc/70/41/23/540704123.db2.gz LAXVHHMFMQFZBV-UHFFFAOYSA-N 0 2 371.349 1.846 20 5 FDBDLN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538828148 540896947 /nfs/dbraw/zinc/89/69/47/540896947.db2.gz NMQRVYVHUHVPTN-UHFFFAOYSA-N 0 2 370.369 1.849 20 5 FDBDLN CN(C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)S(C)(=O)=O ZINC000286224781 183018942 /nfs/dbraw/zinc/01/89/42/183018942.db2.gz JLDVTDADEBLLDC-NSHDSACASA-N 0 2 371.415 1.044 20 5 FDBDLN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295514761 184079155 /nfs/dbraw/zinc/07/91/55/184079155.db2.gz WOPHWQWZYBHXKC-YABSGUDNSA-N 0 2 363.370 1.896 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH]n1 ZINC000547301709 542306284 /nfs/dbraw/zinc/30/62/84/542306284.db2.gz OSUSGVNAJPHRNM-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000552219940 543439407 /nfs/dbraw/zinc/43/94/07/543439407.db2.gz FLGGAKTUXCBDJS-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000552800098 543519176 /nfs/dbraw/zinc/51/91/76/543519176.db2.gz OGMXCSYQNXVWDL-NSHDSACASA-N 0 2 356.400 1.730 20 5 FDBDLN Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541040 172244610 /nfs/dbraw/zinc/24/46/10/172244610.db2.gz AWDSGZODZZZLED-UHFFFAOYSA-N 0 2 356.342 1.926 20 5 FDBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000554827671 543878229 /nfs/dbraw/zinc/87/82/29/543878229.db2.gz GDMKMPLZTZQCSG-UHFFFAOYSA-N 0 2 369.337 1.659 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000555780515 544027526 /nfs/dbraw/zinc/02/75/26/544027526.db2.gz AJJKERXYYKKOSW-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN COCCNC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000557484809 544297324 /nfs/dbraw/zinc/29/73/24/544297324.db2.gz COUUFQUSZNIAIV-UHFFFAOYSA-N 0 2 359.338 1.929 20 5 FDBDLN O=C(NC[C@]1(N2CCOCC2)CCSC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367218093 260011151 /nfs/dbraw/zinc/01/11/51/260011151.db2.gz QATNESWERSZGAP-MRXNPFEDSA-N 0 2 367.427 1.238 20 5 FDBDLN O=C(c1ccoc1)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367506035 260052665 /nfs/dbraw/zinc/05/26/65/260052665.db2.gz SPSZYCDRJCZVGM-UHFFFAOYSA-N 0 2 359.338 1.882 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000367692820 260078704 /nfs/dbraw/zinc/07/87/04/260078704.db2.gz ZLBGDLYFSBGMGZ-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN Cn1nccc1[C@H]1[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCC(=O)N1C ZINC000367764488 260088032 /nfs/dbraw/zinc/08/80/32/260088032.db2.gz BRHKJCATIKHUKE-BDJLRTHQSA-N 0 2 373.369 1.582 20 5 FDBDLN Cc1nnnn1-c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000375665492 261393087 /nfs/dbraw/zinc/39/30/87/261393087.db2.gz RXVCKQADFFIRMR-UHFFFAOYSA-N 0 2 358.289 1.976 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cncc(OC)c2)cc([N+](=O)[O-])c1 ZINC000410384176 262166214 /nfs/dbraw/zinc/16/62/14/262166214.db2.gz SBKZFIVEYDOSAM-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270870489 674280468 /nfs/dbraw/zinc/28/04/68/674280468.db2.gz TVLCRXBASDVZFB-XCBNKYQSSA-N 0 2 360.285 1.714 20 5 FDBDLN COc1ccc(NC(=O)C[C@@H]2SC(N(C)C)=NC2=O)c([N+](=O)[O-])c1 ZINC000028757146 519249319 /nfs/dbraw/zinc/24/93/19/519249319.db2.gz SINKXADCBQRHQA-NSHDSACASA-N 0 2 352.372 1.492 20 5 FDBDLN COc1ccc(NC(=O)CC2SC(N(C)C)=NC2=O)c([N+](=O)[O-])c1 ZINC000028757146 519249322 /nfs/dbraw/zinc/24/93/22/519249322.db2.gz SINKXADCBQRHQA-NSHDSACASA-N 0 2 352.372 1.492 20 5 FDBDLN NC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000067124182 523325905 /nfs/dbraw/zinc/32/59/05/523325905.db2.gz JYBRTRYARMRSSS-UHFFFAOYSA-N 0 2 350.356 1.564 20 5 FDBDLN O=C(N[C@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101671673 525246842 /nfs/dbraw/zinc/24/68/42/525246842.db2.gz FZBCFLHQFPPTEN-OAHLLOKOSA-N 0 2 369.377 1.920 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n(C)n1 ZINC000129656728 525677783 /nfs/dbraw/zinc/67/77/83/525677783.db2.gz NIYMLVSZAKDMRE-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n(C)n1 ZINC000129673064 525679130 /nfs/dbraw/zinc/67/91/30/525679130.db2.gz DHAHPHYTXRKMGI-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)oc1C ZINC000181976893 526005278 /nfs/dbraw/zinc/00/52/78/526005278.db2.gz OCGXYNMWPHEVCY-UHFFFAOYSA-N 0 2 360.370 1.863 20 5 FDBDLN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182170611 526080247 /nfs/dbraw/zinc/08/02/47/526080247.db2.gz FCDPPAZXBXQNHT-LLVKDONJSA-N 0 2 368.349 1.829 20 5 FDBDLN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185845050 536219034 /nfs/dbraw/zinc/21/90/34/536219034.db2.gz RZYJCRUCBMYPMP-LLVKDONJSA-N 0 2 368.349 1.829 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2cnn(C)c2)o1 ZINC000190366075 537169183 /nfs/dbraw/zinc/16/91/83/537169183.db2.gz SIUOQDPLLAKPHZ-UHFFFAOYSA-N 0 2 364.343 1.488 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000192213703 537222074 /nfs/dbraw/zinc/22/20/74/537222074.db2.gz JGESGLKPTYCPGB-HNNXBMFYSA-N 0 2 373.340 1.970 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(CC(F)(F)F)n1 ZINC000194994453 537358935 /nfs/dbraw/zinc/35/89/35/537358935.db2.gz RGYJKYQKOVAIBR-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280855444 537476147 /nfs/dbraw/zinc/47/61/47/537476147.db2.gz CXGQKIYPHGSDTN-GXSJLCMTSA-N 0 2 353.400 1.730 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414462301 537816392 /nfs/dbraw/zinc/81/63/92/537816392.db2.gz UFBJFSZYJOBKBY-UHFFFAOYSA-N 0 2 372.428 1.922 20 5 FDBDLN Cc1c([C@H]2[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC(=O)N2C)cnn1C ZINC000372889211 538056984 /nfs/dbraw/zinc/05/69/84/538056984.db2.gz GNMZWMATEXQOCE-BDJLRTHQSA-N 0 2 373.369 1.500 20 5 FDBDLN COc1cc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c([N+](=O)[O-])cc1F ZINC000425293601 538396203 /nfs/dbraw/zinc/39/62/03/538396203.db2.gz CCKGJCJRPKPWEL-MRVPVSSYSA-N 0 2 366.305 1.851 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cn2)cc1[N+](=O)[O-] ZINC000481847226 538587512 /nfs/dbraw/zinc/58/75/12/538587512.db2.gz OUDHCWKZIWRJKB-UHFFFAOYSA-N 0 2 364.383 1.801 20 5 FDBDLN O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483442358 538700741 /nfs/dbraw/zinc/70/07/41/538700741.db2.gz KELINGCUKFBKLO-UHFFFAOYSA-N 0 2 355.306 1.925 20 5 FDBDLN Cc1noc(C)c1C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000561150396 545712620 /nfs/dbraw/zinc/71/26/20/545712620.db2.gz OPGWFGUNDVQMDN-UHFFFAOYSA-N 0 2 359.386 1.621 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000566229926 547672344 /nfs/dbraw/zinc/67/23/44/547672344.db2.gz ULOYOKVZINQEMI-CYBMUJFWSA-N 0 2 358.372 1.548 20 5 FDBDLN Cn1cc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2(CO)CCC2)cn1 ZINC000567241327 548046624 /nfs/dbraw/zinc/04/66/24/548046624.db2.gz XCJXWSNYHNEZAE-HNNXBMFYSA-N 0 2 360.370 1.668 20 5 FDBDLN CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000570305733 549233523 /nfs/dbraw/zinc/23/35/23/549233523.db2.gz BHTBFVCERQKOTO-UHFFFAOYSA-N 0 2 371.396 1.200 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000574694973 550355619 /nfs/dbraw/zinc/35/56/19/550355619.db2.gz AZLHEFCODDKCMU-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N=c1cc(C(N)=O)[nH][nH]1 ZINC000585701152 551583562 /nfs/dbraw/zinc/58/35/62/551583562.db2.gz HZERPMFNNJSTEU-UHFFFAOYSA-N 0 2 368.147 1.740 20 5 FDBDLN CC(C)(C)NC(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586808445 551620923 /nfs/dbraw/zinc/62/09/23/551620923.db2.gz COHMXSQEDKWMBI-UHFFFAOYSA-N 0 2 350.375 1.566 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)C(=O)Nc1ncccc1O ZINC000588862038 551694789 /nfs/dbraw/zinc/69/47/89/551694789.db2.gz JUURCTZRIMOYCM-NXEZZACHSA-N 0 2 374.353 1.794 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])CC2CC2)c([N+](=O)[O-])c1 ZINC000593291407 552083853 /nfs/dbraw/zinc/08/38/53/552083853.db2.gz NXXMHKAXGZDTEB-UHFFFAOYSA-N 0 2 351.359 1.729 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+](CC(=O)[O-])CC2CC2)c([N+](=O)[O-])c1 ZINC000593291407 552083856 /nfs/dbraw/zinc/08/38/56/552083856.db2.gz NXXMHKAXGZDTEB-UHFFFAOYSA-N 0 2 351.359 1.729 20 5 FDBDLN CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000593595544 552146921 /nfs/dbraw/zinc/14/69/21/552146921.db2.gz GOYREXAYDFUNOW-UHFFFAOYSA-N 0 2 353.375 1.949 20 5 FDBDLN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nn1 ZINC000593747744 552189747 /nfs/dbraw/zinc/18/97/47/552189747.db2.gz BFLUHTHFIICOQX-LLVKDONJSA-N 0 2 371.357 1.598 20 5 FDBDLN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)nn1 ZINC000593747744 552189751 /nfs/dbraw/zinc/18/97/51/552189751.db2.gz BFLUHTHFIICOQX-LLVKDONJSA-N 0 2 371.357 1.598 20 5 FDBDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000594382307 552299497 /nfs/dbraw/zinc/29/94/97/552299497.db2.gz TVPBVAJWNHQEPR-NSHDSACASA-N 0 2 352.265 1.312 20 5 FDBDLN COC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000594731656 552366731 /nfs/dbraw/zinc/36/67/31/552366731.db2.gz XXIHLFAPBXDBBG-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CC(C)[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000594758180 552372952 /nfs/dbraw/zinc/37/29/52/552372952.db2.gz CAKIDGGWHRXBEJ-NSHDSACASA-N 0 2 367.387 1.926 20 5 FDBDLN O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000597640185 552816186 /nfs/dbraw/zinc/81/61/86/552816186.db2.gz IEYSATIRESGXLN-LLVKDONJSA-N 0 2 361.358 1.325 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597834909 552838261 /nfs/dbraw/zinc/83/82/61/552838261.db2.gz AFCSVFGBNCKLNH-LLVKDONJSA-N 0 2 352.343 1.483 20 5 FDBDLN CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOC1 ZINC000598152152 552869131 /nfs/dbraw/zinc/86/91/31/552869131.db2.gz DHNUCXMVFJOGQJ-MRXNPFEDSA-N 0 2 352.343 1.531 20 5 FDBDLN Cc1cc(C2(NS(=O)(=O)c3cccnc3[N+](=O)[O-])CCOCC2)on1 ZINC000599515868 553078195 /nfs/dbraw/zinc/07/81/95/553078195.db2.gz WPKOCOHOVVRXET-UHFFFAOYSA-N 0 2 368.371 1.270 20 5 FDBDLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000610880983 554574165 /nfs/dbraw/zinc/57/41/65/554574165.db2.gz DEXPNVHFHODQDX-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000611513172 554639873 /nfs/dbraw/zinc/63/98/73/554639873.db2.gz NEMQWOMICHDNIN-UHFFFAOYSA-N 0 2 370.277 1.919 20 5 FDBDLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(=O)[O-])cc1 ZINC000737965483 599863818 /nfs/dbraw/zinc/86/38/18/599863818.db2.gz XIBNNYQABQBNBH-QGZVFWFLSA-N 0 2 373.365 1.982 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000833221506 601018336 /nfs/dbraw/zinc/01/83/36/601018336.db2.gz GNHPLGLRFSLLMK-CYBMUJFWSA-N 0 2 365.411 1.376 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000833221506 601018340 /nfs/dbraw/zinc/01/83/40/601018340.db2.gz GNHPLGLRFSLLMK-CYBMUJFWSA-N 0 2 365.411 1.376 20 5 FDBDLN CN(C(=O)[O-])C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000737933670 602524870 /nfs/dbraw/zinc/52/48/70/602524870.db2.gz UTAKWAHSWPEDPZ-UHFFFAOYSA-N 0 2 373.369 1.995 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263365 604225357 /nfs/dbraw/zinc/22/53/57/604225357.db2.gz GHNNQALNBHJHMS-VXGBXAGGSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263365 604225358 /nfs/dbraw/zinc/22/53/58/604225358.db2.gz GHNNQALNBHJHMS-VXGBXAGGSA-N 0 2 350.375 1.901 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](CNC(=O)[O-])C1 ZINC000828507050 604405104 /nfs/dbraw/zinc/40/51/04/604405104.db2.gz MRNZLAWQZHXAMM-LLVKDONJSA-N 0 2 361.358 1.100 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[C@H](CNC(=O)[O-])C1 ZINC000828507050 604405105 /nfs/dbraw/zinc/40/51/05/604405105.db2.gz MRNZLAWQZHXAMM-LLVKDONJSA-N 0 2 361.358 1.100 20 5 FDBDLN CCOc1cc(N(CC[NH+]2CCOCC2)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000833660379 605241952 /nfs/dbraw/zinc/24/19/52/605241952.db2.gz JRZJHERNCNUISV-UHFFFAOYSA-N 0 2 353.375 1.217 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834221810 605352525 /nfs/dbraw/zinc/35/25/25/605352525.db2.gz VPRPVIXPLDRLBW-GFCCVEGCSA-N 0 2 371.415 1.348 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834221810 605352533 /nfs/dbraw/zinc/35/25/33/605352533.db2.gz VPRPVIXPLDRLBW-GFCCVEGCSA-N 0 2 371.415 1.348 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC000826272704 608107767 /nfs/dbraw/zinc/10/77/67/608107767.db2.gz XOHAPWXEZHDFKX-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000275085162 674605482 /nfs/dbraw/zinc/60/54/82/674605482.db2.gz GLRZNVMCUSNXOZ-JTQLQIEISA-N 0 2 357.388 1.301 20 5 FDBDLN CC(C)(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000278421719 675135482 /nfs/dbraw/zinc/13/54/82/675135482.db2.gz RNXDJWRUJXUTFB-UHFFFAOYSA-N 0 2 371.331 1.984 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000325085685 676572924 /nfs/dbraw/zinc/57/29/24/676572924.db2.gz HVFCWZJLNHNJLV-UHFFFAOYSA-N 0 2 371.396 1.876 20 5 FDBDLN C[C@@](CO)(NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000326572592 676584318 /nfs/dbraw/zinc/58/43/18/676584318.db2.gz WVOVMUCWRKVBHA-HNNXBMFYSA-N 0 2 354.359 1.920 20 5 FDBDLN O=C(Nc1ccnn1-c1ccc(Br)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000366190249 677420331 /nfs/dbraw/zinc/42/03/31/677420331.db2.gz KHWRSIRLKDQCJS-RKDXNWHRSA-N 0 2 352.148 1.634 20 5 FDBDLN COC(=O)Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000392988132 678793753 /nfs/dbraw/zinc/79/37/53/678793753.db2.gz KQENDUIGYWCXKN-UHFFFAOYSA-N 0 2 366.351 1.817 20 5 FDBDLN CS(=O)(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436864966 681739553 /nfs/dbraw/zinc/73/95/53/681739553.db2.gz POCYZBHDGSNNRX-AWEZNQCLSA-N 0 2 364.379 1.816 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000436991190 681751921 /nfs/dbraw/zinc/75/19/21/681751921.db2.gz QSITXUJSSZNDIZ-JSGCOSHPSA-N 0 2 354.384 1.482 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)ccc1[N+](=O)[O-] ZINC000463467407 684693970 /nfs/dbraw/zinc/69/39/70/684693970.db2.gz BGTHTXUSUDCXGW-UHFFFAOYSA-N 0 2 361.343 1.075 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n(C)n1 ZINC000486623434 686917705 /nfs/dbraw/zinc/91/77/05/686917705.db2.gz BYFDMBWRIOZRPP-UHFFFAOYSA-N 0 2 370.387 1.327 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1S(N)(=O)=O ZINC000511207085 689486265 /nfs/dbraw/zinc/48/62/65/689486265.db2.gz QVXRZKOSYKMRMS-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN COC(=O)CCc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000512774415 689638658 /nfs/dbraw/zinc/63/86/58/689638658.db2.gz DVQDOZINMOKBAY-UHFFFAOYSA-N 0 2 352.328 1.510 20 5 FDBDLN CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000516437429 689949894 /nfs/dbraw/zinc/94/98/94/689949894.db2.gz IUOLNFJGNIDOGS-ZDUSSCGKSA-N 0 2 356.375 1.175 20 5 FDBDLN Cc1cc(C(=O)NC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)no1 ZINC000375718043 783060241 /nfs/dbraw/zinc/06/02/41/783060241.db2.gz QVSVLLSYAHYNSK-UHFFFAOYSA-N 0 2 374.353 1.631 20 5 FDBDLN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840327374 823766673 /nfs/dbraw/zinc/76/66/73/823766673.db2.gz ROYKJXLGEZPEGK-GMSGAONNSA-N 0 2 367.305 1.681 20 5 FDBDLN O=C(Nc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC000840394253 824041946 /nfs/dbraw/zinc/04/19/46/824041946.db2.gz FIBRSCZDZCMSIQ-OHWVOJQTSA-N 0 2 370.268 1.172 20 5 FDBDLN O=C(Nc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(F)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840394253 824041952 /nfs/dbraw/zinc/04/19/52/824041952.db2.gz FIBRSCZDZCMSIQ-OHWVOJQTSA-N 0 2 370.268 1.172 20 5 FDBDLN O=C([O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000262739013 831177707 /nfs/dbraw/zinc/17/77/07/831177707.db2.gz HZIKSQJVBNBUIF-SWLSCSKDSA-N 0 2 374.353 1.390 20 5 FDBDLN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273178144 911178954 /nfs/dbraw/zinc/17/89/54/911178954.db2.gz GDDIWSDUBJIRPC-RYUDHWBXSA-N 0 2 365.386 1.304 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000772133760 931092935 /nfs/dbraw/zinc/09/29/35/931092935.db2.gz BXNUIPIHCVUBQX-UHFFFAOYSA-N 0 2 373.325 1.566 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1Cl ZINC000812319766 941192918 /nfs/dbraw/zinc/19/29/18/941192918.db2.gz RANNEVATYGANTE-UHFFFAOYSA-N 0 2 358.719 1.774 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001138012981 941868696 /nfs/dbraw/zinc/86/86/96/941868696.db2.gz AJCIPXPCVNYBSI-JGVFFNPUSA-N 0 2 368.289 1.462 20 5 FDBDLN Cc1cc(=O)c(C(=O)NC2=NC[C@@H](C)S2)nn1-c1ccccc1[N+](=O)[O-] ZINC000819768081 943720496 /nfs/dbraw/zinc/72/04/96/943720496.db2.gz NZDCGVNSTCZLTM-SNVBAGLBSA-N 0 2 373.394 1.670 20 5 FDBDLN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843875309 947361286 /nfs/dbraw/zinc/36/12/86/947361286.db2.gz MYEOPCMWJVEMAH-UHFFFAOYSA-N 0 2 365.321 1.343 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000772968524 951931081 /nfs/dbraw/zinc/93/10/81/951931081.db2.gz JKPOSIRTFSONGK-JTQLQIEISA-N 0 2 361.276 1.536 20 5 FDBDLN COC(=O)c1cc(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)[nH]n1 ZINC001194288466 970112796 /nfs/dbraw/zinc/11/27/96/970112796.db2.gz DUYZLNDFWKYOIB-UHFFFAOYSA-N 0 2 362.345 1.887 20 5 FDBDLN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000776195070 975086004 /nfs/dbraw/zinc/08/60/04/975086004.db2.gz OSQGZMMMTNCGCE-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H](C(=O)[O-])O1 ZINC001599924849 985186842 /nfs/dbraw/zinc/18/68/42/985186842.db2.gz KVDZBWWEOLJGSP-HZMBPMFUSA-N 0 2 360.326 1.095 20 5 FDBDLN CC(C)(CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC001590774261 990576571 /nfs/dbraw/zinc/57/65/71/990576571.db2.gz MGHXQFHGHJHTLR-UHFFFAOYSA-N 0 2 368.346 1.724 20 5 FDBDLN C[C@@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC001593298805 994716950 /nfs/dbraw/zinc/71/69/50/994716950.db2.gz MVWQXJGGLIGUCV-SECBINFHSA-N 0 2 362.346 1.230 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000191789592 178070312 /nfs/dbraw/zinc/07/03/12/178070312.db2.gz CDDZWURGQWIINK-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN Cc1cc(=NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)[nH]nc1C ZINC000522316398 539559743 /nfs/dbraw/zinc/55/97/43/539559743.db2.gz SHPYJKKFBQQWQQ-NSHDSACASA-N 0 2 359.342 1.838 20 5 FDBDLN CC1(C)C[NH+]=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)S1 ZINC000268455779 180086197 /nfs/dbraw/zinc/08/61/97/180086197.db2.gz SIKUXEAAFIOGPC-UHFFFAOYSA-N 0 2 364.427 1.940 20 5 FDBDLN COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269227630 180248687 /nfs/dbraw/zinc/24/86/87/180248687.db2.gz FFWNAYZHXOSWAZ-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN CCOC(=O)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000269704658 180366283 /nfs/dbraw/zinc/36/62/83/180366283.db2.gz NUQNIMDBJXAJLJ-UHFFFAOYSA-N 0 2 372.384 1.353 20 5 FDBDLN CN(C[C@@H](O)COCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274742992 181158131 /nfs/dbraw/zinc/15/81/31/181158131.db2.gz YWPXDHPJRFOFIH-OAHLLOKOSA-N 0 2 360.366 1.950 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533730060 540281555 /nfs/dbraw/zinc/28/15/55/540281555.db2.gz LQLRUYRXGSXIQW-UHFFFAOYSA-N 0 2 359.371 1.464 20 5 FDBDLN COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536192092 540564092 /nfs/dbraw/zinc/56/40/92/540564092.db2.gz LTAIIJKGBNHKRR-UHFFFAOYSA-N 0 2 366.351 1.965 20 5 FDBDLN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000538833816 540898078 /nfs/dbraw/zinc/89/80/78/540898078.db2.gz ZBDTUHDGXMACFM-SNVBAGLBSA-N 0 2 365.773 1.930 20 5 FDBDLN C[C@@]1(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)NC(=O)NC1=O ZINC000538873305 540903064 /nfs/dbraw/zinc/90/30/64/540903064.db2.gz NIUSNDCDLYUCNB-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN COc1ncnc(N(C)C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539235277 540938346 /nfs/dbraw/zinc/93/83/46/540938346.db2.gz PNEMSBVRIBVZCR-UHFFFAOYSA-N 0 2 367.387 1.569 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000542863894 541491005 /nfs/dbraw/zinc/49/10/05/541491005.db2.gz IMGLLBLOTDJWFD-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN C[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)NC(=O)NC1=O ZINC000548122119 542562024 /nfs/dbraw/zinc/56/20/24/542562024.db2.gz BKZMGASTKRFNMH-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2O1 ZINC000548445055 542669779 /nfs/dbraw/zinc/66/97/79/542669779.db2.gz NGEJBRQMJPKRRF-OAHLLOKOSA-N 0 2 358.306 1.881 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cncnc2-n2cccn2)c1C ZINC000127241438 173069548 /nfs/dbraw/zinc/06/95/48/173069548.db2.gz UXEZPBBUHJWGLX-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cn1 ZINC000132330624 173229284 /nfs/dbraw/zinc/22/92/84/173229284.db2.gz BVXHLJAXXRIOTR-UHFFFAOYSA-N 0 2 358.351 1.686 20 5 FDBDLN CC[C@H](C(=O)OC)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000553283343 543603198 /nfs/dbraw/zinc/60/31/98/543603198.db2.gz VCJZRWVFGGZIJL-CYBMUJFWSA-N 0 2 351.359 1.010 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH]n1 ZINC000556882640 544217688 /nfs/dbraw/zinc/21/76/88/544217688.db2.gz MHRJRGNEISVSKI-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000365540243 259854618 /nfs/dbraw/zinc/85/46/18/259854618.db2.gz ZVYUFOBZBBBURY-IUPBHXKESA-N 0 2 351.790 1.914 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000367707185 260080503 /nfs/dbraw/zinc/08/05/03/260080503.db2.gz VXRDAWHIRWNPSP-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2ncccn2)CC1 ZINC000368416682 260180511 /nfs/dbraw/zinc/18/05/11/260180511.db2.gz MCRAKANTHPUPKD-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000373374270 261005086 /nfs/dbraw/zinc/00/50/86/261005086.db2.gz AOFIHBLOTJSKBI-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H](n3cc([N+](=O)[O-])cn3)C1)c2=O ZINC000375391533 261328883 /nfs/dbraw/zinc/32/88/83/261328883.db2.gz JKSWFLJEURWJFA-JTQLQIEISA-N 0 2 371.357 1.256 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2nnc3n2CCC3)CC1 ZINC000375646757 261390100 /nfs/dbraw/zinc/39/01/00/261390100.db2.gz KEVZQLRWSQRLKF-UHFFFAOYSA-N 0 2 357.370 1.858 20 5 FDBDLN Cc1noc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CCOCC2)n1 ZINC000376679086 261624435 /nfs/dbraw/zinc/62/44/35/261624435.db2.gz KCPMLDSINMKXDX-CQSZACIVSA-N 0 2 362.342 1.890 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369568 262012058 /nfs/dbraw/zinc/01/20/58/262012058.db2.gz KMFQBZJEMKQSRR-CYBMUJFWSA-N 0 2 361.446 1.418 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000030031785 519345384 /nfs/dbraw/zinc/34/53/84/519345384.db2.gz DZPDOHKFSOSIKH-UHFFFAOYSA-N 0 2 374.378 1.930 20 5 FDBDLN NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000062931002 522548209 /nfs/dbraw/zinc/54/82/09/522548209.db2.gz MRRNLZJUKFIOKL-UHFFFAOYSA-N 0 2 371.396 1.184 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)c([N+](=O)[O-])c1 ZINC000063878101 522667857 /nfs/dbraw/zinc/66/78/57/522667857.db2.gz DGDBQYPQKQAODQ-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cccnc2-n2cncn2)c([N+](=O)[O-])c1 ZINC000158722235 524516857 /nfs/dbraw/zinc/51/68/57/524516857.db2.gz HMQYVBBTIYVCDY-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN C[C@@](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])(C(N)=O)c1ccccc1 ZINC000101576082 525233806 /nfs/dbraw/zinc/23/38/06/525233806.db2.gz OHZPXQCCKWJWPJ-HNNXBMFYSA-N 0 2 367.358 1.413 20 5 FDBDLN O=C(c1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000119803292 525870464 /nfs/dbraw/zinc/87/04/64/525870464.db2.gz FIQHFYXHJQLMSK-UHFFFAOYSA-N 0 2 361.379 1.960 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000182148310 526074073 /nfs/dbraw/zinc/07/40/73/526074073.db2.gz DEDSXPPCDUNMNP-XHDPSFHLSA-N 0 2 359.382 1.916 20 5 FDBDLN COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000270073476 537281014 /nfs/dbraw/zinc/28/10/14/537281014.db2.gz BYXGHPZRGLCZHI-LBPRGKRZSA-N 0 2 353.375 1.208 20 5 FDBDLN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000285969496 537389495 /nfs/dbraw/zinc/38/94/95/537389495.db2.gz BAGUDOZKYVTVQC-CYBMUJFWSA-N 0 2 362.260 1.868 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000285115584 537616159 /nfs/dbraw/zinc/61/61/59/537616159.db2.gz OXCGMXYYEVRZRJ-UHFFFAOYSA-N 0 2 352.372 1.937 20 5 FDBDLN Cc1c(CC(=O)Nc2nnc(NS(C)(=O)=O)s2)cccc1[N+](=O)[O-] ZINC000439119279 538155192 /nfs/dbraw/zinc/15/51/92/538155192.db2.gz QRTHAVUYBTZJHD-UHFFFAOYSA-N 0 2 371.400 1.307 20 5 FDBDLN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1S(N)(=O)=O ZINC000446712806 538314817 /nfs/dbraw/zinc/31/48/17/538314817.db2.gz UIRFPGCLIRITIG-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN COc1ccccc1CCNC(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560701842 545584099 /nfs/dbraw/zinc/58/40/99/545584099.db2.gz YJZFSHLYYMZWJR-UHFFFAOYSA-N 0 2 373.365 1.398 20 5 FDBDLN CC(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N=c1cc[nH][nH]1 ZINC000479645705 538822790 /nfs/dbraw/zinc/82/27/90/538822790.db2.gz QNVPQYJXYMUMNB-LLVKDONJSA-N 0 2 361.358 1.807 20 5 FDBDLN C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000563490673 546555161 /nfs/dbraw/zinc/55/51/61/546555161.db2.gz PPTMWGRXWTXQJB-SNVBAGLBSA-N 0 2 361.324 1.720 20 5 FDBDLN O=C([O-])c1ccnc(NC[C@]2([NH+]3CCOCC3)CCSC2)c1[N+](=O)[O-] ZINC000563887814 546723780 /nfs/dbraw/zinc/72/37/80/546723780.db2.gz BCKMUUAFDKKMPT-OAHLLOKOSA-N 0 2 368.415 1.308 20 5 FDBDLN O=C([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000574920594 550393379 /nfs/dbraw/zinc/39/33/79/550393379.db2.gz RACCUNKCPPJHHI-UHFFFAOYSA-N 0 2 369.399 1.152 20 5 FDBDLN Nc1cc(NCc2nnc(COc3ccccc3)[nH]2)cc(CO)c1[N+](=O)[O-] ZINC000588020238 551641273 /nfs/dbraw/zinc/64/12/73/551641273.db2.gz OWKMBZNKTPUOTP-UHFFFAOYSA-N 0 2 370.369 1.979 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CNC2=O ZINC000588850723 551693120 /nfs/dbraw/zinc/69/31/20/551693120.db2.gz SIHFCDOIKAPDJU-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN CNC(=O)c1ccc(=NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000593334456 552091137 /nfs/dbraw/zinc/09/11/37/552091137.db2.gz BBCCBJYXZWKINO-UHFFFAOYSA-N 0 2 361.333 1.800 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000595887790 552629013 /nfs/dbraw/zinc/62/90/13/552629013.db2.gz SZPXBUXXGMGMJP-UHFFFAOYSA-N 0 2 353.375 1.975 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000595887790 552629014 /nfs/dbraw/zinc/62/90/14/552629014.db2.gz SZPXBUXXGMGMJP-UHFFFAOYSA-N 0 2 353.375 1.975 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2nnc(N3CCCC3)cc2C1 ZINC000598582611 552911299 /nfs/dbraw/zinc/91/12/99/552911299.db2.gz REXLJEVEYVWEQR-UHFFFAOYSA-N 0 2 369.381 1.889 20 5 FDBDLN Cc1nn(CCC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c(C)c1[N+](=O)[O-] ZINC000609146918 554343092 /nfs/dbraw/zinc/34/30/92/554343092.db2.gz GQHOGYSBEUTLGJ-UHFFFAOYSA-N 0 2 372.341 1.780 20 5 FDBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000609494489 554384014 /nfs/dbraw/zinc/38/40/14/554384014.db2.gz NOELRUBTDSBFHE-UHFFFAOYSA-N 0 2 369.355 1.827 20 5 FDBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000609542074 554390655 /nfs/dbraw/zinc/39/06/55/554390655.db2.gz IRSXDJKTNCAQMN-LBPRGKRZSA-N 0 2 356.381 1.849 20 5 FDBDLN Cn1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])nn1 ZINC000611935448 554705548 /nfs/dbraw/zinc/70/55/48/554705548.db2.gz SCXLRNPIYRDZLO-UHFFFAOYSA-N 0 2 366.186 1.509 20 5 FDBDLN NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000614274047 555032445 /nfs/dbraw/zinc/03/24/45/555032445.db2.gz GYQZMHCVHVHKCC-UHFFFAOYSA-N 0 2 365.367 1.519 20 5 FDBDLN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436568615 567884680 /nfs/dbraw/zinc/88/46/80/567884680.db2.gz UWWNLLWAHSHNQI-GFCCVEGCSA-N 0 2 362.386 1.710 20 5 FDBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737974746 599858333 /nfs/dbraw/zinc/85/83/33/599858333.db2.gz WHNZCEDZGXRPHU-INIZCTEOSA-N 0 2 359.338 1.957 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000272954208 674491908 /nfs/dbraw/zinc/49/19/08/674491908.db2.gz YDZPXQVXCCYFLI-LLVKDONJSA-N 0 2 368.371 1.562 20 5 FDBDLN CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000829966708 602083287 /nfs/dbraw/zinc/08/32/87/602083287.db2.gz MTPWSTAOPPITIE-AWEZNQCLSA-N 0 2 362.342 1.342 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583793 602704726 /nfs/dbraw/zinc/70/47/26/602704726.db2.gz HVRJYMDNVRRVTB-GJZGRUSLSA-N 0 2 362.386 1.774 20 5 FDBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000739583793 602704727 /nfs/dbraw/zinc/70/47/27/602704727.db2.gz HVRJYMDNVRRVTB-GJZGRUSLSA-N 0 2 362.386 1.774 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740152283 602768217 /nfs/dbraw/zinc/76/82/17/602768217.db2.gz JCPOQUBJJULTLA-DGCLKSJQSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740152283 602768219 /nfs/dbraw/zinc/76/82/19/602768219.db2.gz JCPOQUBJJULTLA-DGCLKSJQSA-N 0 2 350.375 1.820 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1 ZINC000823644216 606337904 /nfs/dbraw/zinc/33/79/04/606337904.db2.gz GWRDHHFFCHPEDT-UHFFFAOYSA-N 0 2 362.327 1.281 20 5 FDBDLN COCCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000274194734 674587395 /nfs/dbraw/zinc/58/73/95/674587395.db2.gz GARWMHVOCPPJLE-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CCn1nccc1S(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276757522 674762954 /nfs/dbraw/zinc/76/29/54/674762954.db2.gz DRDDOCXQRGFAMW-UHFFFAOYSA-N 0 2 368.371 1.707 20 5 FDBDLN CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000414337844 679340120 /nfs/dbraw/zinc/34/01/20/679340120.db2.gz LDETXYJKOHVPPW-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000451104805 682818660 /nfs/dbraw/zinc/81/86/60/682818660.db2.gz GXUDTHYZASUTOS-UHFFFAOYSA-N 0 2 357.779 1.977 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)ccc1[N+](=O)[O-] ZINC000451106792 682819563 /nfs/dbraw/zinc/81/95/63/682819563.db2.gz MAKMDZGTISXYME-UHFFFAOYSA-N 0 2 353.360 1.332 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1[N+](=O)[O-] ZINC000488299782 687036232 /nfs/dbraw/zinc/03/62/32/687036232.db2.gz QWHABYSXIUYHOI-UHFFFAOYSA-N 0 2 367.318 1.815 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1[N+](=O)[O-] ZINC000488299782 687036236 /nfs/dbraw/zinc/03/62/36/687036236.db2.gz QWHABYSXIUYHOI-UHFFFAOYSA-N 0 2 367.318 1.815 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000508087748 688706387 /nfs/dbraw/zinc/70/63/87/688706387.db2.gz HJMJCGSGHQNEHD-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN COC(=O)c1ccc(N)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001204476438 771795048 /nfs/dbraw/zinc/79/50/48/771795048.db2.gz MUEJQOVPCCLWQU-UHFFFAOYSA-N 0 2 351.340 1.764 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(-c2cccnc2)n1 ZINC000363989473 794864086 /nfs/dbraw/zinc/86/40/86/794864086.db2.gz XVFIHRHGNDMBPH-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN CNC(=O)CNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436519366 816570804 /nfs/dbraw/zinc/57/08/04/816570804.db2.gz WUBSPUWRCHJWJH-UHFFFAOYSA-N 0 2 372.337 1.029 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436727852 816693419 /nfs/dbraw/zinc/69/34/19/816693419.db2.gz DKFXLPKIVLFDKF-CQSZACIVSA-N 0 2 369.377 1.874 20 5 FDBDLN O=C(c1cc(NCCCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000427387379 818814415 /nfs/dbraw/zinc/81/44/15/818814415.db2.gz QUUCRXSMPJCDGK-UHFFFAOYSA-N 0 2 360.374 1.699 20 5 FDBDLN C[N@H+](Cc1nnc(C2CC2)[nH]1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964791 831938504 /nfs/dbraw/zinc/93/85/04/831938504.db2.gz ZUGIASVMAYNZLR-ZIAGYGMSSA-N 0 2 362.434 1.018 20 5 FDBDLN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2[N+](=O)[O-])C1 ZINC000479749420 844554704 /nfs/dbraw/zinc/55/47/04/844554704.db2.gz UAHKAZUOMXUUPD-GHMZBOCLSA-N 0 2 374.401 1.831 20 5 FDBDLN Cn1ncc2c1nc(CCC(=O)Nc1cc([N+](=O)[O-])ccc1O)[nH]c2=O ZINC000770858260 930287705 /nfs/dbraw/zinc/28/77/05/930287705.db2.gz RHQBKIIMDZFPBA-UHFFFAOYSA-N 0 2 358.314 1.254 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](O)c1ccc2c(c1)OCO2 ZINC000787742297 932404335 /nfs/dbraw/zinc/40/43/35/932404335.db2.gz VARJAWCUUYZTOE-FVMDXXJSSA-N 0 2 360.322 1.881 20 5 FDBDLN CC(C)(NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1[N+](=O)[O-] ZINC000817038809 942486005 /nfs/dbraw/zinc/48/60/05/942486005.db2.gz JAJKAYNSDNQUCJ-UHFFFAOYSA-N 0 2 356.342 1.031 20 5 FDBDLN COc1cc(OC)cc([C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000773352662 961793151 /nfs/dbraw/zinc/79/31/51/961793151.db2.gz ONFNCRRZWPJSOM-MRXNPFEDSA-N 0 2 362.338 1.781 20 5 FDBDLN O=C([O-])c1ccc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC001174503538 962884275 /nfs/dbraw/zinc/88/42/75/962884275.db2.gz OTLOPSPLPNHLLS-UHFFFAOYSA-N 0 2 361.358 1.565 20 5 FDBDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000874085243 989722348 /nfs/dbraw/zinc/72/23/48/989722348.db2.gz BTSKAHKUNOZPCY-UHFFFAOYSA-N 0 2 371.396 1.381 20 5 FDBDLN Cn1cccc1C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000370436356 989745636 /nfs/dbraw/zinc/74/56/36/989745636.db2.gz KCNRTNRMNVHXGV-UHFFFAOYSA-N 0 2 372.381 1.674 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2nncn2C)ccn1 ZINC000372366084 991044660 /nfs/dbraw/zinc/04/46/60/991044660.db2.gz MGKWONWAVRUXEN-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598636091 994251954 /nfs/dbraw/zinc/25/19/54/994251954.db2.gz QXHCMBZCNDXKSV-LBPRGKRZSA-N 0 2 351.359 1.159 20 5 FDBDLN CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598636091 994251966 /nfs/dbraw/zinc/25/19/66/994251966.db2.gz QXHCMBZCNDXKSV-LBPRGKRZSA-N 0 2 351.359 1.159 20 5 FDBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879764587 995265918 /nfs/dbraw/zinc/26/59/18/995265918.db2.gz XBPLNZOFNZQCNK-TZMCWYRMSA-N 0 2 361.320 1.771 20 5 FDBDLN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779703 995970224 /nfs/dbraw/zinc/97/02/24/995970224.db2.gz SCSBMOVVHCZLED-ISVAXAHUSA-N 0 2 358.297 1.711 20 5 FDBDLN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779703 995970230 /nfs/dbraw/zinc/97/02/30/995970230.db2.gz SCSBMOVVHCZLED-ISVAXAHUSA-N 0 2 358.297 1.711 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000777670449 1001367745 /nfs/dbraw/zinc/36/77/45/1001367745.db2.gz ZPHUIUXTSWLOPZ-UHFFFAOYSA-N 0 2 373.372 1.734 20 5 FDBDLN O=C(Cn1[nH]cc2c(=O)ncnc1-2)OCc1ccc([N+](=O)[O-])cc1Cl ZINC000778093733 1004985212 /nfs/dbraw/zinc/98/52/12/1004985212.db2.gz PWOXQKOBIRICQO-UHFFFAOYSA-N 0 2 363.717 1.376 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000194743016 178222660 /nfs/dbraw/zinc/22/26/60/178222660.db2.gz IEUDGFYXACJBEG-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN O=c1c(Cl)c(N2CCC[C@@H](O)C2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000263709307 178946595 /nfs/dbraw/zinc/94/65/95/178946595.db2.gz AHGZEXFIQCYJKE-GFCCVEGCSA-N 0 2 350.762 1.755 20 5 FDBDLN Cc1nn(C)c(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C ZINC000264425955 179105211 /nfs/dbraw/zinc/10/52/11/179105211.db2.gz INPDTQOXQMSOPF-UHFFFAOYSA-N 0 2 368.371 1.517 20 5 FDBDLN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264526474 179128510 /nfs/dbraw/zinc/12/85/10/179128510.db2.gz DVHOHXRSVRNMJF-YPMHNXCESA-N 0 2 365.386 1.304 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000264848074 179220030 /nfs/dbraw/zinc/22/00/30/179220030.db2.gz LXVXXKUXHDOOAA-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1CCCCS1(=O)=O ZINC000275001965 181215745 /nfs/dbraw/zinc/21/57/45/181215745.db2.gz ZBDQHUNUQWMXLX-LLVKDONJSA-N 0 2 365.371 1.286 20 5 FDBDLN NC(=O)c1ccn(-c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000539426898 540959165 /nfs/dbraw/zinc/95/91/65/540959165.db2.gz YOPYXXDSHXWDDT-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN COc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cccc1C(N)=O ZINC000542986227 541513943 /nfs/dbraw/zinc/51/39/43/541513943.db2.gz NXIYLFDMMNXHCO-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CNS(=O)(=O)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(C)o1 ZINC000543445363 541593047 /nfs/dbraw/zinc/59/30/47/541593047.db2.gz JJTQOMJCGYBDAF-UHFFFAOYSA-N 0 2 355.328 1.362 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000546970909 542267243 /nfs/dbraw/zinc/26/72/43/542267243.db2.gz KWMBRTORVVGRJD-UHFFFAOYSA-N 0 2 371.415 1.316 20 5 FDBDLN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000549721364 542922825 /nfs/dbraw/zinc/92/28/25/542922825.db2.gz UWIVSTFFSNEYJN-UHFFFAOYSA-N 0 2 356.342 1.920 20 5 FDBDLN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000552075356 543414565 /nfs/dbraw/zinc/41/45/65/543414565.db2.gz UWSDKUWXZCEHPL-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN CS(=O)(=O)c1ccccc1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000552415124 543463788 /nfs/dbraw/zinc/46/37/88/543463788.db2.gz SXHVPZHVPNFPLF-UHFFFAOYSA-N 0 2 350.352 1.885 20 5 FDBDLN O=C(NCCCc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067176900 172007182 /nfs/dbraw/zinc/00/71/82/172007182.db2.gz CGNDQYSRVYTOFM-UHFFFAOYSA-N 0 2 359.386 1.981 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000130254559 173165504 /nfs/dbraw/zinc/16/55/04/173165504.db2.gz NSYJBEVZBTWFKZ-UHFFFAOYSA-N 0 2 354.388 1.892 20 5 FDBDLN NS(=O)(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000556781028 544199944 /nfs/dbraw/zinc/19/99/44/544199944.db2.gz MPLVXXXUUIIPFL-UHFFFAOYSA-N 0 2 352.328 1.168 20 5 FDBDLN Cc1cc(C)n(C[C@@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)n1 ZINC000331746282 259217285 /nfs/dbraw/zinc/21/72/85/259217285.db2.gz XPNLMSJRQRFHAC-AWEZNQCLSA-N 0 2 360.370 1.655 20 5 FDBDLN CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000369494568 260377258 /nfs/dbraw/zinc/37/72/58/260377258.db2.gz RPAYZHICCBGDQY-GJZGRUSLSA-N 0 2 350.371 1.693 20 5 FDBDLN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000374968840 261237258 /nfs/dbraw/zinc/23/72/58/261237258.db2.gz DCENSODLOKVAJK-AWEZNQCLSA-N 0 2 356.338 1.621 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000410404958 262167036 /nfs/dbraw/zinc/16/70/36/262167036.db2.gz PPVGAICFKYJXOZ-UHFFFAOYSA-N 0 2 365.367 1.893 20 5 FDBDLN NC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nc1 ZINC000490401889 489765214 /nfs/dbraw/zinc/76/52/14/489765214.db2.gz UCQYHLUBWLMIEI-UHFFFAOYSA-N 0 2 353.298 1.126 20 5 FDBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000025146727 519040183 /nfs/dbraw/zinc/04/01/83/519040183.db2.gz VEIOAEZNJAZDNP-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN O=C(NCCCc1nnc2n1CCCCC2)c1ccc([N+](=O)[O-])cc1O ZINC000158032361 524389207 /nfs/dbraw/zinc/38/92/07/524389207.db2.gz XXKXWCWJTQIIDH-UHFFFAOYSA-N 0 2 359.386 1.981 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(-c2ncccn2)n1 ZINC000128562023 525555101 /nfs/dbraw/zinc/55/51/01/525555101.db2.gz RKOIUKFANKJNCW-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COCc1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000290180714 537281962 /nfs/dbraw/zinc/28/19/62/537281962.db2.gz QVDDBPONHRCHGS-UHFFFAOYSA-N 0 2 361.376 1.815 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cncc(C)c2)c([N+](=O)[O-])c1 ZINC000432379950 538142010 /nfs/dbraw/zinc/14/20/10/538142010.db2.gz FRMQIGILKDEIIY-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000466958048 538584115 /nfs/dbraw/zinc/58/41/15/538584115.db2.gz QFWOCDSBCUJNTJ-UHFFFAOYSA-N 0 2 354.319 1.888 20 5 FDBDLN CN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000483441337 538701498 /nfs/dbraw/zinc/70/14/98/538701498.db2.gz QHRAWYUKUQDYSG-BLLLJJGKSA-N 0 2 356.338 1.854 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000564561822 546954016 /nfs/dbraw/zinc/95/40/16/546954016.db2.gz LDQUBZSWCQXMGQ-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000564561822 546954019 /nfs/dbraw/zinc/95/40/19/546954019.db2.gz LDQUBZSWCQXMGQ-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN C[C@H]([C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+]1CCOCC1 ZINC000565013019 547157767 /nfs/dbraw/zinc/15/77/67/547157767.db2.gz FZPZOSRJVZWBGA-VHSXEESVSA-N 0 2 357.794 1.793 20 5 FDBDLN COC(=O)c1cnc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000565946689 547541658 /nfs/dbraw/zinc/54/16/58/547541658.db2.gz LCKZKNHQFYXEOW-ZETCQYMHSA-N 0 2 372.384 1.272 20 5 FDBDLN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000566282359 547693313 /nfs/dbraw/zinc/69/33/13/547693313.db2.gz DUIBDHQIDLHYGU-MRVPVSSYSA-N 0 2 361.314 1.167 20 5 FDBDLN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000572204274 549863908 /nfs/dbraw/zinc/86/39/08/549863908.db2.gz PYLQXIOSQIMUSA-UHFFFAOYSA-N 0 2 358.289 1.550 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2nc(OC)cc(OC)n2)cc1[N+](=O)[O-] ZINC000575748251 550471561 /nfs/dbraw/zinc/47/15/61/550471561.db2.gz BAFZTRMLKXTQTK-UHFFFAOYSA-N 0 2 368.371 1.765 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2cccnc2[N+](=O)[O-])cc1NC(N)=O ZINC000578711485 550792540 /nfs/dbraw/zinc/79/25/40/550792540.db2.gz VMUSBKLKXRCERP-UHFFFAOYSA-N 0 2 367.343 1.290 20 5 FDBDLN CCn1cc(S(=O)(=O)[N-]c2c[nH+]ccc2N2CCCC2)c([N+](=O)[O-])n1 ZINC000579230171 550850081 /nfs/dbraw/zinc/85/00/81/550850081.db2.gz FLLXNUHIOJFKIX-UHFFFAOYSA-N 0 2 366.403 1.607 20 5 FDBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000579911777 550922561 /nfs/dbraw/zinc/92/25/61/550922561.db2.gz JEWOLIVJDVIBIJ-UHFFFAOYSA-N 0 2 351.340 1.967 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncn(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000593285291 552083181 /nfs/dbraw/zinc/08/31/81/552083181.db2.gz QRBLEEWSJIVNEC-UHFFFAOYSA-N 0 2 369.359 1.355 20 5 FDBDLN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000594487189 552324630 /nfs/dbraw/zinc/32/46/30/552324630.db2.gz LLWWWCXNRPBPTR-WPRPVWTQSA-N 0 2 369.321 1.768 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[O-] ZINC000608909006 554328585 /nfs/dbraw/zinc/32/85/85/554328585.db2.gz KBEVFRSYRPVMIJ-UHFFFAOYSA-N 0 2 361.339 1.682 20 5 FDBDLN O=C(CO)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000609411439 554375331 /nfs/dbraw/zinc/37/53/31/554375331.db2.gz YFPAYEWVQFWWBV-UHFFFAOYSA-N 0 2 351.340 1.326 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000610034078 554451111 /nfs/dbraw/zinc/45/11/11/554451111.db2.gz CPOJSKUBEKZHIB-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN NC(=O)c1cc(=NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])[nH][nH]1 ZINC000611141591 554609260 /nfs/dbraw/zinc/60/92/60/554609260.db2.gz NRZQKMDEODGDER-UHFFFAOYSA-N 0 2 373.247 1.610 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c[nH]1 ZINC000618906695 555693820 /nfs/dbraw/zinc/69/38/20/555693820.db2.gz UCSXVDRHLRCTAH-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619507252 555792377 /nfs/dbraw/zinc/79/23/77/555792377.db2.gz UEUJWCNGIAPHIH-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262175501 601291052 /nfs/dbraw/zinc/29/10/52/601291052.db2.gz WVCJWLQIUVLNIC-MRXNPFEDSA-N 0 2 362.342 1.390 20 5 FDBDLN CC(=O)N1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000825841045 601545029 /nfs/dbraw/zinc/54/50/29/601545029.db2.gz OKBJDJQBPKBXKE-UHFFFAOYSA-N 0 2 350.375 1.177 20 5 FDBDLN CN(CC1CC[NH+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1)C(=O)[O-] ZINC000739667193 602373743 /nfs/dbraw/zinc/37/37/43/602373743.db2.gz WXPXURRDXRXNTG-UHFFFAOYSA-N 0 2 364.358 1.782 20 5 FDBDLN C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828115387 603537954 /nfs/dbraw/zinc/53/79/54/603537954.db2.gz SGPMTCMDQPVXRM-JTQLQIEISA-N 0 2 356.766 1.871 20 5 FDBDLN C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000828115387 603537956 /nfs/dbraw/zinc/53/79/56/603537956.db2.gz SGPMTCMDQPVXRM-JTQLQIEISA-N 0 2 356.766 1.871 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000829224804 603581462 /nfs/dbraw/zinc/58/14/62/603581462.db2.gz LWMGSYUSFDOMPP-LBPRGKRZSA-N 0 2 366.374 1.616 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000829224804 603581466 /nfs/dbraw/zinc/58/14/66/603581466.db2.gz LWMGSYUSFDOMPP-LBPRGKRZSA-N 0 2 366.374 1.616 20 5 FDBDLN CSc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829760957 604404788 /nfs/dbraw/zinc/40/47/88/604404788.db2.gz SQZRFUSTDAFQJL-NSHDSACASA-N 0 2 368.415 1.341 20 5 FDBDLN CSc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000829760957 604404790 /nfs/dbraw/zinc/40/47/90/604404790.db2.gz SQZRFUSTDAFQJL-NSHDSACASA-N 0 2 368.415 1.341 20 5 FDBDLN O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](O)C[NH+]2CCOCC2)cc1Cl ZINC000833307068 604630036 /nfs/dbraw/zinc/63/00/36/604630036.db2.gz KITAPUDHVZRNLD-VIFPVBQESA-N 0 2 359.766 1.051 20 5 FDBDLN O=C([O-])c1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc([N+](=O)[O-])c1 ZINC000833777721 605153933 /nfs/dbraw/zinc/15/39/33/605153933.db2.gz CFVCKWFHPDDNJS-CYBMUJFWSA-N 0 2 356.338 1.697 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C)CN1C(=O)[O-] ZINC000833838640 605838078 /nfs/dbraw/zinc/83/80/78/605838078.db2.gz WRUMVGZFLLINKI-RYUDHWBXSA-N 0 2 373.369 1.993 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1-c1nn[nH]n1 ZINC000823647200 607154598 /nfs/dbraw/zinc/15/45/98/607154598.db2.gz HVBDASFBHOTGPY-UHFFFAOYSA-N 0 2 364.318 1.715 20 5 FDBDLN COCCn1cc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000276569087 674735269 /nfs/dbraw/zinc/73/52/69/674735269.db2.gz HDESLOFNFJRHLS-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000276591147 674737469 /nfs/dbraw/zinc/73/74/69/674737469.db2.gz WKRNILVOYRUFPW-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000278114968 675095700 /nfs/dbraw/zinc/09/57/00/675095700.db2.gz AKRCCHPPZOTCKO-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436716972 681718611 /nfs/dbraw/zinc/71/86/11/681718611.db2.gz UVJHFOVGPUBGBA-ZDUSSCGKSA-N 0 2 363.757 1.780 20 5 FDBDLN NS(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436963333 681748543 /nfs/dbraw/zinc/74/85/43/681748543.db2.gz KIWGBNFXJJKXPX-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN CNC(=O)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436989035 681751494 /nfs/dbraw/zinc/75/14/94/681751494.db2.gz NAFRQIZHOOWKBV-UHFFFAOYSA-N 0 2 351.359 1.058 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)cn1 ZINC000438723497 681876713 /nfs/dbraw/zinc/87/67/13/681876713.db2.gz OGJQINQJLMTVDH-UHFFFAOYSA-N 0 2 354.344 1.399 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])n1 ZINC000444066711 682377163 /nfs/dbraw/zinc/37/71/63/682377163.db2.gz YVNCAJTVANLMSM-UHFFFAOYSA-N 0 2 364.343 1.662 20 5 FDBDLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000467767052 684876271 /nfs/dbraw/zinc/87/62/71/684876271.db2.gz FZVFLQMCWJMZBJ-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000494518023 687550613 /nfs/dbraw/zinc/55/06/13/687550613.db2.gz FYRWFUBICLDEES-UHFFFAOYSA-N 0 2 370.343 1.211 20 5 FDBDLN O=C(c1cccs1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000503686007 688377932 /nfs/dbraw/zinc/37/79/32/688377932.db2.gz XCZFJLUQPCWJHH-UHFFFAOYSA-N 0 2 361.379 1.960 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000508110632 688709558 /nfs/dbraw/zinc/70/95/58/688709558.db2.gz QXUFTCCUWJIKMI-UHFFFAOYSA-N 0 2 354.344 1.211 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000517434813 690066689 /nfs/dbraw/zinc/06/66/89/690066689.db2.gz AOEJLRYYJTXNJJ-SNVBAGLBSA-N 0 2 367.387 1.295 20 5 FDBDLN COCCn1cc2c(n1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000376923325 790855741 /nfs/dbraw/zinc/85/57/41/790855741.db2.gz QSIPYKGWEIYYMZ-CQSZACIVSA-N 0 2 360.370 1.951 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)c1[N+](=O)[O-] ZINC000365089411 785283321 /nfs/dbraw/zinc/28/33/21/785283321.db2.gz IWHJPBZKQDPVHT-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000504258537 815153262 /nfs/dbraw/zinc/15/32/62/815153262.db2.gz QUQMTGDQKJVKQY-UHFFFAOYSA-N 0 2 354.322 1.957 20 5 FDBDLN COc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000501049137 811973028 /nfs/dbraw/zinc/97/30/28/811973028.db2.gz BEVCGCLMGSYBGR-UHFFFAOYSA-N 0 2 365.430 1.263 20 5 FDBDLN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OCCO ZINC000436970357 816832943 /nfs/dbraw/zinc/83/29/43/816832943.db2.gz DEGHAXRXHUPRKM-UHFFFAOYSA-N 0 2 362.338 1.610 20 5 FDBDLN NC(=O)CCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436989256 816834454 /nfs/dbraw/zinc/83/44/54/816834454.db2.gz NQMKVJAGDGHVGW-UHFFFAOYSA-N 0 2 372.337 1.158 20 5 FDBDLN O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452384532 830630999 /nfs/dbraw/zinc/63/09/99/830630999.db2.gz GHOZGJRVNZVGKP-OAHLLOKOSA-N 0 2 373.413 1.357 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)[nH]n1 ZINC000763383350 881877325 /nfs/dbraw/zinc/87/73/25/881877325.db2.gz SZHCCEQYCMPNQJ-UHFFFAOYSA-N 0 2 372.334 1.743 20 5 FDBDLN COc1ncc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1C(N)=O ZINC000761907233 874819935 /nfs/dbraw/zinc/81/99/35/874819935.db2.gz JLHGVNIKDLFAFE-UHFFFAOYSA-N 0 2 370.318 1.037 20 5 FDBDLN CC(C)c1nc(CN2CC3(C2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC3)n[nH]1 ZINC001035704010 886327065 /nfs/dbraw/zinc/32/70/65/886327065.db2.gz APKMUXSKXPRTLN-CHWSQXEVSA-N 0 2 362.434 1.018 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ncccn2)c(C)c1[N+](=O)[O-] ZINC000790636246 933635519 /nfs/dbraw/zinc/63/55/19/933635519.db2.gz OSLYIOUSWMZFEW-UHFFFAOYSA-N 0 2 353.316 1.711 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)NOCc2cccnc2)c([N+](=O)[O-])c1 ZINC000746945122 933739641 /nfs/dbraw/zinc/73/96/41/933739641.db2.gz DPJIUUYAAUHCKT-UHFFFAOYSA-N 0 2 362.367 1.429 20 5 FDBDLN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000808031029 940513317 /nfs/dbraw/zinc/51/33/17/940513317.db2.gz DUSMZORTHFVFJE-SSDOTTSWSA-N 0 2 350.310 1.160 20 5 FDBDLN CN1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810154 940899838 /nfs/dbraw/zinc/89/98/38/940899838.db2.gz MLWLCSLJDIRHHR-MRVPVSSYSA-N 0 2 351.787 1.760 20 5 FDBDLN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2n[nH]c(=O)[nH]2)CC1 ZINC000748007115 941905263 /nfs/dbraw/zinc/90/52/63/941905263.db2.gz XYMLOWPUFZCVRE-UHFFFAOYSA-N 0 2 360.374 1.585 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c2ncnn2ccc1C ZINC000820799732 944217144 /nfs/dbraw/zinc/21/71/44/944217144.db2.gz DJCZRBYQJRBKGU-UHFFFAOYSA-N 0 2 363.355 1.755 20 5 FDBDLN O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843875532 947360504 /nfs/dbraw/zinc/36/05/04/947360504.db2.gz PYNLKQSXXPDQJK-UHFFFAOYSA-N 0 2 371.357 1.174 20 5 FDBDLN O=C(Cc1cn2c([nH+]1)CCCC2)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000845436065 949203504 /nfs/dbraw/zinc/20/35/04/949203504.db2.gz MXFHZQKVTQIJON-UHFFFAOYSA-N 0 2 364.383 1.175 20 5 FDBDLN O=C([N-]S(=O)(=O)C1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000774297516 961978039 /nfs/dbraw/zinc/97/80/39/961978039.db2.gz BVYSTEKWEVVJFO-UHFFFAOYSA-N 0 2 350.356 1.393 20 5 FDBDLN CCOC(Cn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1)OCC ZINC000776196428 975099175 /nfs/dbraw/zinc/09/91/75/975099175.db2.gz ZFOBJWGIHGQICU-UHFFFAOYSA-N 0 2 365.346 1.543 20 5 FDBDLN C[C@@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589386697 986488462 /nfs/dbraw/zinc/48/84/62/986488462.db2.gz BDTQEIBKRDTAJV-NOZJJQNGSA-N 0 2 350.306 1.304 20 5 FDBDLN C[N@@H+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001598620779 994003528 /nfs/dbraw/zinc/00/35/28/994003528.db2.gz BNUZTUBVTMIDHZ-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN C[N@H+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1(C)C ZINC001598620779 994003535 /nfs/dbraw/zinc/00/35/35/994003535.db2.gz BNUZTUBVTMIDHZ-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779707 995970340 /nfs/dbraw/zinc/97/03/40/995970340.db2.gz SCSBMOVVHCZLED-SDBXPKJASA-N 0 2 358.297 1.711 20 5 FDBDLN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779707 995970343 /nfs/dbraw/zinc/97/03/43/995970343.db2.gz SCSBMOVVHCZLED-SDBXPKJASA-N 0 2 358.297 1.711 20 5 FDBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000512915916 538982988 /nfs/dbraw/zinc/98/29/88/538982988.db2.gz DDCAYXMHCFRWIU-JTQLQIEISA-N 0 2 354.326 1.767 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000264516635 179126559 /nfs/dbraw/zinc/12/65/59/179126559.db2.gz IPQFATJXFWDIQB-MRVPVSSYSA-N 0 2 355.351 1.311 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N(C)C)cn1 ZINC000523932773 539626529 /nfs/dbraw/zinc/62/65/29/539626529.db2.gz BXIZOXLYVFAGBU-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN COCCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000269580801 180334618 /nfs/dbraw/zinc/33/46/18/180334618.db2.gz BBQIZZCCTZVOST-UHFFFAOYSA-N 0 2 356.360 1.247 20 5 FDBDLN COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274249532 181056182 /nfs/dbraw/zinc/05/61/82/181056182.db2.gz YYBKUUUAMKAVMN-SSDOTTSWSA-N 0 2 374.268 1.506 20 5 FDBDLN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCOCC1 ZINC000534106910 540325235 /nfs/dbraw/zinc/32/52/35/540325235.db2.gz YJXPPRHSCKGGHX-AWEZNQCLSA-N 0 2 352.343 1.389 20 5 FDBDLN Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000536198929 540564630 /nfs/dbraw/zinc/56/46/30/540564630.db2.gz UGKBUFGRPQAWSC-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000538833815 540897908 /nfs/dbraw/zinc/89/79/08/540897908.db2.gz ZBDTUHDGXMACFM-JTQLQIEISA-N 0 2 365.773 1.930 20 5 FDBDLN CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539971732 541014565 /nfs/dbraw/zinc/01/45/65/541014565.db2.gz KVFIOVQXRAOXJQ-UHFFFAOYSA-N 0 2 371.396 1.865 20 5 FDBDLN COCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000542783398 541469876 /nfs/dbraw/zinc/46/98/76/541469876.db2.gz MXMMDRHRCNPWIO-UHFFFAOYSA-N 0 2 359.338 1.815 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccnc2-n2cncn2)c1 ZINC000543658948 541628756 /nfs/dbraw/zinc/62/87/56/541628756.db2.gz PNWLWRBGMMBRAC-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CN1C(=S)N=NC1C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000283134256 182114628 /nfs/dbraw/zinc/11/46/28/182114628.db2.gz RPHBOCGMCSEBGY-UHFFFAOYSA-N 0 2 363.399 1.737 20 5 FDBDLN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1Nc1ncc([N+](=O)[O-])cn1 ZINC000545472112 541979658 /nfs/dbraw/zinc/97/96/58/541979658.db2.gz BJXRRLFUWHVDEG-SNVBAGLBSA-N 0 2 352.376 1.301 20 5 FDBDLN O=C(N[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000286277524 183029883 /nfs/dbraw/zinc/02/98/83/183029883.db2.gz NZZTVQGVOAJJEX-GFCCVEGCSA-N 0 2 362.386 1.710 20 5 FDBDLN Cc1ccc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000549560476 542899236 /nfs/dbraw/zinc/89/92/36/542899236.db2.gz PMFMAIDBQMDWQZ-UHFFFAOYSA-N 0 2 367.387 1.295 20 5 FDBDLN CN(C)c1n[nH]c(C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000551967283 543390601 /nfs/dbraw/zinc/39/06/01/543390601.db2.gz JTSRMZCYZHHNQG-UHFFFAOYSA-N 0 2 360.374 1.504 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1[O-])C2 ZINC000552011725 543404242 /nfs/dbraw/zinc/40/42/42/543404242.db2.gz TYFRLUZLUUXABO-NSHDSACASA-N 0 2 360.370 1.085 20 5 FDBDLN O=C(CN1CCN(c2ccccn2)CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531324 172244775 /nfs/dbraw/zinc/24/47/75/172244775.db2.gz HTTLXQQNDKSHGK-UHFFFAOYSA-N 0 2 357.370 1.456 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])oc1C ZINC000554729322 543860819 /nfs/dbraw/zinc/86/08/19/543860819.db2.gz GTHZAHDQTGFYSP-UHFFFAOYSA-N 0 2 355.328 1.869 20 5 FDBDLN CS(=O)(=O)c1ccccc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000555885841 544047460 /nfs/dbraw/zinc/04/74/60/544047460.db2.gz CYWKTCJAFKCEOE-UHFFFAOYSA-N 0 2 350.352 1.885 20 5 FDBDLN CC1=C(C(=O)N(C)C)[C@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1C ZINC000299513641 259002919 /nfs/dbraw/zinc/00/29/19/259002919.db2.gz UNMUGHSDAIYFTJ-ZDUSSCGKSA-N 0 2 350.400 1.524 20 5 FDBDLN CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367755142 260086062 /nfs/dbraw/zinc/08/60/62/260086062.db2.gz NUAUQDYFUOXZTA-ZYHUDNBSSA-N 0 2 352.343 1.483 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)c1cccnc1 ZINC000372326910 260846698 /nfs/dbraw/zinc/84/66/98/260846698.db2.gz PSPFOKZTKUHORE-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000378476795 262033445 /nfs/dbraw/zinc/03/34/45/262033445.db2.gz RVFRERYVCJFELB-UHFFFAOYSA-N 0 2 365.367 1.872 20 5 FDBDLN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc(=O)c2sccc2[nH]1 ZINC000016208339 518747715 /nfs/dbraw/zinc/74/77/15/518747715.db2.gz DNUOLEZIZHDRSY-UHFFFAOYSA-N 0 2 356.319 1.689 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000026233557 519109154 /nfs/dbraw/zinc/10/91/54/519109154.db2.gz SDUHMGJMVUTCOZ-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN Cc1sc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000043733697 521887399 /nfs/dbraw/zinc/88/73/99/521887399.db2.gz IAKHUECAOSFJCH-UHFFFAOYSA-N 0 2 352.372 1.864 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c([N+](=O)[O-])c1 ZINC000071091673 522098491 /nfs/dbraw/zinc/09/84/91/522098491.db2.gz ISSWRWYSPOGDDO-UHFFFAOYSA-N 0 2 363.351 1.899 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1[O-] ZINC000071092151 522099150 /nfs/dbraw/zinc/09/91/50/522099150.db2.gz RTKHIZNKEVKSHT-UHFFFAOYSA-N 0 2 361.339 1.682 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)cc1C ZINC000060442555 522382653 /nfs/dbraw/zinc/38/26/53/522382653.db2.gz XIECDXBRNKDBSP-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000054040618 523557797 /nfs/dbraw/zinc/55/77/97/523557797.db2.gz KYRHNYYCWAANBS-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000067899365 523627924 /nfs/dbraw/zinc/62/79/24/523627924.db2.gz YZOIJMRJFAFANS-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000135225633 524122750 /nfs/dbraw/zinc/12/27/50/524122750.db2.gz MSLQDAQCFUWJMA-LLVKDONJSA-N 0 2 368.349 1.829 20 5 FDBDLN CS(=O)(=O)CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000156963711 524182488 /nfs/dbraw/zinc/18/24/88/524182488.db2.gz AZNZCKNJEASXMZ-UHFFFAOYSA-N 0 2 366.399 1.654 20 5 FDBDLN Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000125150899 525152844 /nfs/dbraw/zinc/15/28/44/525152844.db2.gz SHKVDFQLLSZTCK-INIZCTEOSA-N 0 2 355.350 1.922 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000096503989 525161748 /nfs/dbraw/zinc/16/17/48/525161748.db2.gz MCBPSYNVEPSCGA-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ncccn2)n1 ZINC000128575672 525558236 /nfs/dbraw/zinc/55/82/36/525558236.db2.gz GNSOOEOYFGYZIG-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170748272 525698703 /nfs/dbraw/zinc/69/87/03/525698703.db2.gz GZTXYXSDLKYCBJ-UHFFFAOYSA-N 0 2 356.294 1.956 20 5 FDBDLN Cn1c2ccccc2n(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1=O ZINC000180770417 525752574 /nfs/dbraw/zinc/75/25/74/525752574.db2.gz XIUBQGFUOPYXEE-UHFFFAOYSA-N 0 2 356.338 1.983 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000171156423 525875809 /nfs/dbraw/zinc/87/58/09/525875809.db2.gz KQXXQKJBOQSNHJ-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN Cc1nsc(N2CCCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)n1 ZINC000280822528 537468987 /nfs/dbraw/zinc/46/89/87/537468987.db2.gz RUZPIOCFCABLKT-UHFFFAOYSA-N 0 2 363.399 1.813 20 5 FDBDLN Cc1c([C@@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC(=O)N2C)cnn1C ZINC000372889214 538056277 /nfs/dbraw/zinc/05/62/77/538056277.db2.gz GNMZWMATEXQOCE-ZBEGNZNMSA-N 0 2 373.369 1.500 20 5 FDBDLN COCn1nc(C)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000424071841 538230817 /nfs/dbraw/zinc/23/08/17/538230817.db2.gz VWIYUKZNECYPDM-UHFFFAOYSA-N 0 2 358.351 1.952 20 5 FDBDLN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1S(N)(=O)=O ZINC000447313476 538366524 /nfs/dbraw/zinc/36/65/24/538366524.db2.gz BIDKOYDKBCBLPD-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN COc1ccccc1CCNC(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000437726771 538419332 /nfs/dbraw/zinc/41/93/32/538419332.db2.gz XCCRECWBGVKLPQ-UHFFFAOYSA-N 0 2 373.365 1.398 20 5 FDBDLN CCCc1nsc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000461771181 538562083 /nfs/dbraw/zinc/56/20/83/538562083.db2.gz CULZMCSTHJXKHC-UHFFFAOYSA-N 0 2 371.444 1.211 20 5 FDBDLN CNS(=O)(=O)c1csc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000483443014 538702101 /nfs/dbraw/zinc/70/21/01/538702101.db2.gz SSUSBTNLODXYGR-UHFFFAOYSA-N 0 2 357.369 1.522 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000561221627 545755151 /nfs/dbraw/zinc/75/51/51/545755151.db2.gz YETNPDNFBWIVKS-ZWNOBZJWSA-N 0 2 371.415 1.138 20 5 FDBDLN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000565012999 547157410 /nfs/dbraw/zinc/15/74/10/547157410.db2.gz FZPZOSRJVZWBGA-NXEZZACHSA-N 0 2 357.794 1.793 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565605079 547416046 /nfs/dbraw/zinc/41/60/46/547416046.db2.gz ZPFQPFCLXKGKBE-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565605079 547416048 /nfs/dbraw/zinc/41/60/48/547416048.db2.gz ZPFQPFCLXKGKBE-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN CO[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000568654687 548627810 /nfs/dbraw/zinc/62/78/10/548627810.db2.gz VNHHJZSSMGHNTB-WFASDCNBSA-N 0 2 374.353 1.485 20 5 FDBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572886566 550018225 /nfs/dbraw/zinc/01/82/25/550018225.db2.gz ULOWATDXSFFRHL-JTQLQIEISA-N 0 2 361.358 1.837 20 5 FDBDLN CC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000575185966 550441279 /nfs/dbraw/zinc/44/12/79/550441279.db2.gz PBUYLMGYUOLSCA-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN CN(C)c1ccc(S(=O)(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cn1 ZINC000583472835 551356444 /nfs/dbraw/zinc/35/64/44/551356444.db2.gz FRLKBTOPPZMEHY-UHFFFAOYSA-N 0 2 373.394 2.405 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000585730737 551589472 /nfs/dbraw/zinc/58/94/72/551589472.db2.gz RTNVYVJRPIAPEU-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000588842974 551692331 /nfs/dbraw/zinc/69/23/31/551692331.db2.gz IFIAQBJRROENRR-NSHDSACASA-N 0 2 361.358 1.325 20 5 FDBDLN C[C@@H](C(=O)Nc1ncccc1O)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588863236 551694672 /nfs/dbraw/zinc/69/46/72/551694672.db2.gz VRRHLWLYQFUJPP-ZJUUUORDSA-N 0 2 374.353 1.794 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000589592693 551737387 /nfs/dbraw/zinc/73/73/87/551737387.db2.gz UKMDEWTZOUEBEF-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000589592693 551737388 /nfs/dbraw/zinc/73/73/88/551737388.db2.gz UKMDEWTZOUEBEF-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000590449604 551785941 /nfs/dbraw/zinc/78/59/41/551785941.db2.gz HJLRGBRSHZQZRD-UHFFFAOYSA-N 0 2 368.411 1.731 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(F)cc1[N+](=O)[O-] ZINC000590597708 551796518 /nfs/dbraw/zinc/79/65/18/551796518.db2.gz SPBWYSIYTJGAME-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN O=C([O-])c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]c1 ZINC000592427247 551993902 /nfs/dbraw/zinc/99/39/02/551993902.db2.gz PLWYIYVSYWAJMY-UHFFFAOYSA-N 0 2 362.367 1.712 20 5 FDBDLN C[S@](=O)C1(C(=O)[O-])CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000592981385 552051162 /nfs/dbraw/zinc/05/11/62/552051162.db2.gz OPVZQTQSPPCYDW-VWLOTQADSA-N 0 2 363.395 1.945 20 5 FDBDLN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000593851768 552209723 /nfs/dbraw/zinc/20/97/23/552209723.db2.gz STUFYIZDDMLBIQ-LBPRGKRZSA-N 0 2 366.370 1.921 20 5 FDBDLN CC(C)[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000594758176 552372989 /nfs/dbraw/zinc/37/29/89/552372989.db2.gz CAKIDGGWHRXBEJ-LLVKDONJSA-N 0 2 367.387 1.926 20 5 FDBDLN CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2ncccc2[N+](=O)[O-])no1 ZINC000594776249 552380370 /nfs/dbraw/zinc/38/03/70/552380370.db2.gz WVGSQNJJBWYWBN-VIFPVBQESA-N 0 2 371.375 1.337 20 5 FDBDLN C[C@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CO1 ZINC000597992155 552853491 /nfs/dbraw/zinc/85/34/91/552853491.db2.gz BIWJXKVUVHQGSB-UWVGGRQHSA-N 0 2 357.794 1.793 20 5 FDBDLN C[C@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CO1 ZINC000597992155 552853493 /nfs/dbraw/zinc/85/34/93/552853493.db2.gz BIWJXKVUVHQGSB-UWVGGRQHSA-N 0 2 357.794 1.793 20 5 FDBDLN COc1cc(OCC(=O)N=c2nc(C3(C)CC3)[nH]s2)ccc1[N+](=O)[O-] ZINC000600228386 553232904 /nfs/dbraw/zinc/23/29/04/553232904.db2.gz WIODYCZASJFUDS-UHFFFAOYSA-N 0 2 364.383 1.946 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3c(s2)CCCCC3)n1 ZINC000600666055 553296160 /nfs/dbraw/zinc/29/61/60/553296160.db2.gz YNHOFYTYEPAPGJ-UHFFFAOYSA-N 0 2 357.417 1.855 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000600669964 553297540 /nfs/dbraw/zinc/29/75/40/553297540.db2.gz YGAGHDHKBRCLIT-UHFFFAOYSA-N 0 2 369.378 1.787 20 5 FDBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OCC(N)=O ZINC000603905287 553828707 /nfs/dbraw/zinc/82/87/07/553828707.db2.gz ARWQEHIPZNPYSE-UHFFFAOYSA-N 0 2 361.310 1.425 20 5 FDBDLN COC(=O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000609542073 554390465 /nfs/dbraw/zinc/39/04/65/554390465.db2.gz IRSXDJKTNCAQMN-GFCCVEGCSA-N 0 2 356.381 1.849 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000610796606 554563512 /nfs/dbraw/zinc/56/35/12/554563512.db2.gz NWQCLFYXVYDZGU-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN NC(=O)c1cc(=NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH][nH]1 ZINC000611141648 554609262 /nfs/dbraw/zinc/60/92/62/554609262.db2.gz PKZJQVXPAVYUGT-UHFFFAOYSA-N 0 2 358.339 1.793 20 5 FDBDLN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000611294739 554623697 /nfs/dbraw/zinc/62/36/97/554623697.db2.gz UVEZMOYYOLPXFX-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000612599689 554813226 /nfs/dbraw/zinc/81/32/26/554813226.db2.gz VPMVCGXBVXGNLE-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C ZINC000619467228 555781906 /nfs/dbraw/zinc/78/19/06/555781906.db2.gz UXCGPKRTIWNDOU-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCOC1 ZINC000436659541 568253230 /nfs/dbraw/zinc/25/32/30/568253230.db2.gz PJHWCCAFJKFOTN-QMTHXVAHSA-N 0 2 352.343 1.389 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000739657213 601090782 /nfs/dbraw/zinc/09/07/82/601090782.db2.gz FKAWZDFXGHZOHI-GFCCVEGCSA-N 0 2 363.399 1.703 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000739657213 601090786 /nfs/dbraw/zinc/09/07/86/601090786.db2.gz FKAWZDFXGHZOHI-GFCCVEGCSA-N 0 2 363.399 1.703 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000739686736 602434977 /nfs/dbraw/zinc/43/49/77/602434977.db2.gz IQZYUBBHDLNHSS-UHFFFAOYSA-N 0 2 354.392 1.036 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739165087 603324097 /nfs/dbraw/zinc/32/40/97/603324097.db2.gz GYGUVXFNNLUTBG-AAEUAGOBSA-N 0 2 373.369 1.899 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829453193 603538997 /nfs/dbraw/zinc/53/89/97/603538997.db2.gz CZGSODKCZHDDGS-JTQLQIEISA-N 0 2 352.347 1.226 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829453193 603539000 /nfs/dbraw/zinc/53/90/00/603539000.db2.gz CZGSODKCZHDDGS-JTQLQIEISA-N 0 2 352.347 1.226 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271294 604023902 /nfs/dbraw/zinc/02/39/02/604023902.db2.gz DYPORORRQYCLKT-MNOVXSKESA-N 0 2 364.358 1.828 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271294 604023907 /nfs/dbraw/zinc/02/39/07/604023907.db2.gz DYPORORRQYCLKT-MNOVXSKESA-N 0 2 364.358 1.828 20 5 FDBDLN CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CN(C(=O)[O-])C1 ZINC000826979599 604629836 /nfs/dbraw/zinc/62/98/36/604629836.db2.gz KDSSVHRMWURULK-UHFFFAOYSA-N 0 2 359.342 1.605 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833410162 604918996 /nfs/dbraw/zinc/91/89/96/604918996.db2.gz AUVIXMIYCCPNGL-QWRGUYRKSA-N 0 2 353.400 1.814 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833410162 604919000 /nfs/dbraw/zinc/91/90/00/604919000.db2.gz AUVIXMIYCCPNGL-QWRGUYRKSA-N 0 2 353.400 1.814 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CC(C)C)o1 ZINC000278329631 675122835 /nfs/dbraw/zinc/12/28/35/675122835.db2.gz HATPENFCXCVSRJ-UHFFFAOYSA-N 0 2 356.360 1.986 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(N)=O)c1 ZINC000045499937 670976348 /nfs/dbraw/zinc/97/63/48/670976348.db2.gz JRKYLVUQXZLCSR-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000055572220 671236808 /nfs/dbraw/zinc/23/68/08/671236808.db2.gz BDWJZXBIVVDYQI-UHFFFAOYSA-N 0 2 368.327 1.895 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)nn1 ZINC000120056605 671683416 /nfs/dbraw/zinc/68/34/16/671683416.db2.gz HBFDJHFLMOVAKN-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375877168 678189602 /nfs/dbraw/zinc/18/96/02/678189602.db2.gz VXOLLCAPJLJVGW-ABAIWWIYSA-N 0 2 350.371 1.598 20 5 FDBDLN CCc1nc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)no1 ZINC000416413321 679612207 /nfs/dbraw/zinc/61/22/07/679612207.db2.gz CCLXTLSQIYIKNZ-UHFFFAOYSA-N 0 2 356.316 1.128 20 5 FDBDLN O=C(NCCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436968281 681748985 /nfs/dbraw/zinc/74/89/85/681748985.db2.gz ZTDFVDKAEPWYQS-UHFFFAOYSA-N 0 2 364.379 1.894 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000450005422 682726800 /nfs/dbraw/zinc/72/68/00/682726800.db2.gz OGHVZVKDSLMXLJ-UHFFFAOYSA-N 0 2 359.264 1.800 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000504967333 688468338 /nfs/dbraw/zinc/46/83/38/688468338.db2.gz NMTPVPIMCRCVJX-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CC(C)c1n[nH]c(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000507877504 688685193 /nfs/dbraw/zinc/68/51/93/688685193.db2.gz VTKNCOVPCLPTNI-MRVPVSSYSA-N 0 2 350.335 1.550 20 5 FDBDLN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000507877504 688685196 /nfs/dbraw/zinc/68/51/96/688685196.db2.gz VTKNCOVPCLPTNI-MRVPVSSYSA-N 0 2 350.335 1.550 20 5 FDBDLN O=C(NCCCS(=O)(=O)c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508171185 688713970 /nfs/dbraw/zinc/71/39/70/688713970.db2.gz DMCUKOFGIIPWQD-UHFFFAOYSA-N 0 2 364.379 1.894 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000516572846 689966894 /nfs/dbraw/zinc/96/68/94/689966894.db2.gz PWDJZSBQRGOJPR-MRXNPFEDSA-N 0 2 367.427 1.913 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000519642393 690239557 /nfs/dbraw/zinc/23/95/57/690239557.db2.gz COMSWEXORZPBFF-GFCCVEGCSA-N 0 2 369.805 1.891 20 5 FDBDLN CCOC(=O)c1ccnc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000377414644 791750894 /nfs/dbraw/zinc/75/08/94/791750894.db2.gz YFSBPNPTCGREBD-SECBINFHSA-N 0 2 362.346 1.374 20 5 FDBDLN Cc1cn2ccnc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)c2n1 ZINC000432507683 808645578 /nfs/dbraw/zinc/64/55/78/808645578.db2.gz USPKOPXIYVVKDM-UHFFFAOYSA-N 0 2 364.325 1.983 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436966713 816812286 /nfs/dbraw/zinc/81/22/86/816812286.db2.gz OXCGZUQWCHSQLP-OAHLLOKOSA-N 0 2 355.350 1.831 20 5 FDBDLN Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC(=O)N1C ZINC000490601943 861602771 /nfs/dbraw/zinc/60/27/71/861602771.db2.gz ACZSUMQGXVALTA-BONVTDFDSA-N 0 2 359.342 1.192 20 5 FDBDLN Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C2=O ZINC000483438738 849580170 /nfs/dbraw/zinc/58/01/70/849580170.db2.gz YUYIVYVAWLCBNP-UHFFFAOYSA-N 0 2 355.306 1.844 20 5 FDBDLN C[C@H]1CN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)CCO1 ZINC000273174458 911179318 /nfs/dbraw/zinc/17/93/18/911179318.db2.gz FUMYKOSITMIMMU-LBPRGKRZSA-N 0 2 372.381 1.851 20 5 FDBDLN CC(C)(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000733056190 920514420 /nfs/dbraw/zinc/51/44/20/920514420.db2.gz VOJBZJAOOIAWEJ-UHFFFAOYSA-N 0 2 366.399 1.886 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)Nc1ccc(F)c(F)c1 ZINC000771892305 930964071 /nfs/dbraw/zinc/96/40/71/930964071.db2.gz XZVYZFDZKOUCCN-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1C(=O)[O-] ZINC001589347872 954062335 /nfs/dbraw/zinc/06/23/35/954062335.db2.gz IWDMPAFDMMMLFP-DGCLKSJQSA-N 0 2 358.354 1.963 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000773314271 961081625 /nfs/dbraw/zinc/08/16/25/961081625.db2.gz IYOQORZBQZWNNT-QMMMGPOBSA-N 0 2 363.286 1.611 20 5 FDBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Br)OCc1n[nH]c(=O)[nH]1 ZINC000774970230 964287145 /nfs/dbraw/zinc/28/71/45/964287145.db2.gz WQLFWUNVBWNSAA-UHFFFAOYSA-N 0 2 357.120 1.467 20 5 FDBDLN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000775375024 967778937 /nfs/dbraw/zinc/77/89/37/967778937.db2.gz QLEKCZISXNEOEB-WDEREUQCSA-N 0 2 351.359 1.897 20 5 FDBDLN COC(=O)[C@@](C)(NC(=O)C(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300959 972777100 /nfs/dbraw/zinc/77/71/00/972777100.db2.gz KWWZSBSSBMFRDA-CABZTGNLSA-N 0 2 352.240 2.000 20 5 FDBDLN COC(=O)[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300959 972777111 /nfs/dbraw/zinc/77/71/11/972777111.db2.gz KWWZSBSSBMFRDA-CABZTGNLSA-N 0 2 352.240 2.000 20 5 FDBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000866282700 975524687 /nfs/dbraw/zinc/52/46/87/975524687.db2.gz NQDQHSPWOQSSDL-ZDUSSCGKSA-N 0 2 365.283 1.874 20 5 FDBDLN COc1cc([N+](=O)[O-])c(C(=O)NCCc2n[nH]c(=S)o2)cc1SC ZINC000776541961 979026167 /nfs/dbraw/zinc/02/61/67/979026167.db2.gz MUEPRXLDRFFREJ-UHFFFAOYSA-N 0 2 370.412 1.970 20 5 FDBDLN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000363591069 989328703 /nfs/dbraw/zinc/32/87/03/989328703.db2.gz CZMXUEPMHPMHLN-UHFFFAOYSA-N 0 2 363.284 1.883 20 5 FDBDLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001598515785 992615281 /nfs/dbraw/zinc/61/52/81/992615281.db2.gz SWXJWLYLAHATSA-MRXNPFEDSA-N 0 2 370.365 1.925 20 5 FDBDLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC001598515785 992615285 /nfs/dbraw/zinc/61/52/85/992615285.db2.gz SWXJWLYLAHATSA-MRXNPFEDSA-N 0 2 370.365 1.925 20 5 FDBDLN CC1(NC(=O)c2n[nH]c3ccccc32)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000956491857 1008173973 /nfs/dbraw/zinc/17/39/73/1008173973.db2.gz AASLUQFKSHSRTK-TZMCWYRMSA-N 0 2 371.397 1.339 20 5 FDBDLN Cc1cc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cc([N+](=O)[O-])c1 ZINC000518893705 539456169 /nfs/dbraw/zinc/45/61/69/539456169.db2.gz SXHCWRKKAUOHPD-UHFFFAOYSA-N 0 2 357.373 1.379 20 5 FDBDLN COC(=O)C1=NOC2(C1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000274838317 181174427 /nfs/dbraw/zinc/17/44/27/181174427.db2.gz PIWVFRWXQCVSPI-UHFFFAOYSA-N 0 2 363.326 1.225 20 5 FDBDLN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275106477 181239900 /nfs/dbraw/zinc/23/99/00/181239900.db2.gz KSRKJKQLCVVAJT-UHFFFAOYSA-N 0 2 362.342 1.494 20 5 FDBDLN COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000537768012 540772668 /nfs/dbraw/zinc/77/26/68/540772668.db2.gz KZJYTHCQUYOQOF-INIZCTEOSA-N 0 2 373.365 1.995 20 5 FDBDLN COc1ccc(C(=O)NCCNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000538314438 540840405 /nfs/dbraw/zinc/84/04/05/540840405.db2.gz IJYBZZBCGCWPMP-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN C[C@]1(c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)NC(=O)NC1=O ZINC000538873306 540903303 /nfs/dbraw/zinc/90/33/03/540903303.db2.gz NIUSNDCDLYUCNB-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN COC(=O)CNC(=O)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000538966560 540914644 /nfs/dbraw/zinc/91/46/44/540914644.db2.gz RADVWELWOAJPCD-UHFFFAOYSA-N 0 2 373.321 1.456 20 5 FDBDLN O=C([O-])CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000540705374 541090438 /nfs/dbraw/zinc/09/04/38/541090438.db2.gz QFXKRMJMARQVFL-UHFFFAOYSA-N 0 2 374.353 1.486 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000543869014 541674998 /nfs/dbraw/zinc/67/49/98/541674998.db2.gz PSQZWVWSYGGHIG-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnc2nccnc2c1 ZINC000544816434 541836750 /nfs/dbraw/zinc/83/67/50/541836750.db2.gz AKMNOAOPFJBYPG-UHFFFAOYSA-N 0 2 362.309 1.970 20 5 FDBDLN CN(C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)S(C)(=O)=O ZINC000286545793 183093069 /nfs/dbraw/zinc/09/30/69/183093069.db2.gz ZHKDVWMUROIKRJ-NSHDSACASA-N 0 2 371.415 1.044 20 5 FDBDLN CN1CC(=O)N(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)C1=O ZINC000547794349 542449849 /nfs/dbraw/zinc/44/98/49/542449849.db2.gz BRJQYQJVUHEVMP-UHFFFAOYSA-N 0 2 370.321 1.951 20 5 FDBDLN C[C@@]1(c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000552016700 543405770 /nfs/dbraw/zinc/40/57/70/543405770.db2.gz URNYLDSJKJFGAF-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN CCc1nsc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000075347620 172091432 /nfs/dbraw/zinc/09/14/32/172091432.db2.gz DJVPWPTXXSVORA-UHFFFAOYSA-N 0 2 363.399 1.677 20 5 FDBDLN CCOC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000558601679 544479430 /nfs/dbraw/zinc/47/94/30/544479430.db2.gz KJVGWHYKNKKRSD-UHFFFAOYSA-N 0 2 365.367 1.698 20 5 FDBDLN CCOC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000558601679 544479435 /nfs/dbraw/zinc/47/94/35/544479435.db2.gz KJVGWHYKNKKRSD-UHFFFAOYSA-N 0 2 365.367 1.698 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367689572 260077964 /nfs/dbraw/zinc/07/79/64/260077964.db2.gz SUXLLERJMUKKAY-JTQLQIEISA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368410821 260179584 /nfs/dbraw/zinc/17/95/84/260179584.db2.gz DKRLRIYHDVDLOE-LLVKDONJSA-N 0 2 361.314 1.882 20 5 FDBDLN COc1ccnc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000368976774 260271771 /nfs/dbraw/zinc/27/17/71/260271771.db2.gz YSXWIQNQDVVGJZ-UHFFFAOYSA-N 0 2 373.369 1.816 20 5 FDBDLN Cn1cc(-c2ccnc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000373372614 261004691 /nfs/dbraw/zinc/00/46/91/261004691.db2.gz IEUMOQGZTMMXNB-UHFFFAOYSA-N 0 2 374.382 1.727 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000042521250 519694127 /nfs/dbraw/zinc/69/41/27/519694127.db2.gz AAMZOCAZSXEZSH-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 ZINC000042714736 521765402 /nfs/dbraw/zinc/76/54/02/521765402.db2.gz QLLKHVAGGKJRLB-CYBMUJFWSA-N 0 2 352.372 1.771 20 5 FDBDLN Cc1cc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)ccc1[N+](=O)[O-] ZINC000047293401 522493217 /nfs/dbraw/zinc/49/32/17/522493217.db2.gz UAMDZSSYVKLEBH-UHFFFAOYSA-N 0 2 357.373 1.379 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(C(N)=O)c1 ZINC000066587144 523122106 /nfs/dbraw/zinc/12/21/06/523122106.db2.gz OMWLTXIXLGTNLB-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000055548436 523824020 /nfs/dbraw/zinc/82/40/20/523824020.db2.gz YHGVVIKNAINRLN-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000111628417 524313116 /nfs/dbraw/zinc/31/31/16/524313116.db2.gz MYNUWLUADDWMLF-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000114540215 524828625 /nfs/dbraw/zinc/82/86/25/524828625.db2.gz PGOHOMIRTCEVOF-UHFFFAOYSA-N 0 2 365.283 1.959 20 5 FDBDLN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000182137330 526069906 /nfs/dbraw/zinc/06/99/06/526069906.db2.gz ASOQCYLFWUPFPK-GFCCVEGCSA-N 0 2 358.354 1.912 20 5 FDBDLN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182170594 526080602 /nfs/dbraw/zinc/08/06/02/526080602.db2.gz FCDPPAZXBXQNHT-NSHDSACASA-N 0 2 368.349 1.829 20 5 FDBDLN Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000186480066 536235345 /nfs/dbraw/zinc/23/53/45/536235345.db2.gz OTAJCKJPKVNYBQ-UHFFFAOYSA-N 0 2 373.413 1.609 20 5 FDBDLN Cc1nn(C)c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000186674684 536240809 /nfs/dbraw/zinc/24/08/09/536240809.db2.gz GFMOBOZPOZEQEE-UHFFFAOYSA-N 0 2 371.357 1.264 20 5 FDBDLN O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000267985042 537005999 /nfs/dbraw/zinc/00/59/99/537005999.db2.gz YYEQNRQRHUFJEN-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272637940 537306624 /nfs/dbraw/zinc/30/66/24/537306624.db2.gz WZCYBLOGFOYAPZ-CABZTGNLSA-N 0 2 353.400 1.730 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(N2CCOCC2)nc1 ZINC000273395087 537447734 /nfs/dbraw/zinc/44/77/34/537447734.db2.gz LUSRGVVUHQUCIS-UHFFFAOYSA-N 0 2 358.354 1.809 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)nn1C ZINC000292453091 537737756 /nfs/dbraw/zinc/73/77/56/537737756.db2.gz LAGUIUSLMOZNAW-UHFFFAOYSA-N 0 2 370.347 1.358 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nn1C ZINC000292471096 537739089 /nfs/dbraw/zinc/73/90/89/537739089.db2.gz MTMZFZRVFWLHLJ-UHFFFAOYSA-N 0 2 365.293 1.851 20 5 FDBDLN O=C(N[C@@H](CO)c1nc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376046352 537825464 /nfs/dbraw/zinc/82/54/64/537825464.db2.gz UTTWQHACIDJTHK-LBPRGKRZSA-N 0 2 370.321 1.814 20 5 FDBDLN CC(C)(C)c1nnc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000416540150 537879126 /nfs/dbraw/zinc/87/91/26/537879126.db2.gz GSIQBSNWQDCSRO-UHFFFAOYSA-N 0 2 357.367 1.628 20 5 FDBDLN CC(C)(C)c1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000416540150 537879133 /nfs/dbraw/zinc/87/91/33/537879133.db2.gz GSIQBSNWQDCSRO-UHFFFAOYSA-N 0 2 357.367 1.628 20 5 FDBDLN C[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000456940082 538461830 /nfs/dbraw/zinc/46/18/30/538461830.db2.gz BBLIFBZDGLDJPX-NSHDSACASA-N 0 2 373.369 1.021 20 5 FDBDLN O=C(N=c1nc2n([nH]1)CCCC2)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000456014209 538685973 /nfs/dbraw/zinc/68/59/73/538685973.db2.gz NNYGUBYCVXYLRO-UHFFFAOYSA-N 0 2 356.346 1.721 20 5 FDBDLN Nc1nnc(CCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)o1 ZINC000477846845 538700502 /nfs/dbraw/zinc/70/05/02/538700502.db2.gz YKPFAUKVDGDOHR-UHFFFAOYSA-N 0 2 356.342 1.611 20 5 FDBDLN CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000483447053 538700865 /nfs/dbraw/zinc/70/08/65/538700865.db2.gz SBEZNGBEDCRWTB-UHFFFAOYSA-N 0 2 350.331 1.350 20 5 FDBDLN O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000478312253 538730742 /nfs/dbraw/zinc/73/07/42/538730742.db2.gz PTGRIHXCQFNRLU-UHFFFAOYSA-N 0 2 374.284 1.748 20 5 FDBDLN C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000563490672 546556003 /nfs/dbraw/zinc/55/60/03/546556003.db2.gz PPTMWGRXWTXQJB-JTQLQIEISA-N 0 2 361.324 1.720 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccc(F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000567258248 548054785 /nfs/dbraw/zinc/05/47/85/548054785.db2.gz YTRIDBMBMQBXBC-UHFFFAOYSA-N 0 2 368.342 1.643 20 5 FDBDLN CC(C)OCc1nc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])no1 ZINC000568450713 548541754 /nfs/dbraw/zinc/54/17/54/548541754.db2.gz NKYJWCODNKYEQJ-VIFPVBQESA-N 0 2 371.375 1.337 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000569399971 548903622 /nfs/dbraw/zinc/90/36/22/548903622.db2.gz JMJDVIANSXGXAL-UHFFFAOYSA-N 0 2 367.339 1.008 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000569399971 548903625 /nfs/dbraw/zinc/90/36/25/548903625.db2.gz JMJDVIANSXGXAL-UHFFFAOYSA-N 0 2 367.339 1.008 20 5 FDBDLN Cc1nc([C@](C)(NS(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)no1 ZINC000575818215 550479314 /nfs/dbraw/zinc/47/93/14/550479314.db2.gz UIMSHCJHQKMMRX-CYBMUJFWSA-N 0 2 353.360 1.285 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589923930 551751773 /nfs/dbraw/zinc/75/17/73/551751773.db2.gz XAQRCDUBYFXLIA-CPCISQLKSA-N 0 2 372.296 1.858 20 5 FDBDLN Cc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592972506 552050903 /nfs/dbraw/zinc/05/09/03/552050903.db2.gz PQNSOUWCTQIQGC-UHFFFAOYSA-N 0 2 369.443 1.856 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000593290420 552083882 /nfs/dbraw/zinc/08/38/82/552083882.db2.gz IQBBJDVPZPLTIH-GWCFXTLKSA-N 0 2 351.359 1.870 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2[C@@H](C)CC[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000593290420 552083885 /nfs/dbraw/zinc/08/38/85/552083885.db2.gz IQBBJDVPZPLTIH-GWCFXTLKSA-N 0 2 351.359 1.870 20 5 FDBDLN C[C@@](CCF)(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000595247557 552504920 /nfs/dbraw/zinc/50/49/20/552504920.db2.gz BXZRNYYDVBCSDQ-HNNXBMFYSA-N 0 2 350.306 1.713 20 5 FDBDLN CC[C@@H](C)n1nc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1C ZINC000598614127 552916027 /nfs/dbraw/zinc/91/60/27/552916027.db2.gz OMQZOSMXVVCWBO-LLVKDONJSA-N 0 2 361.406 2.441 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC(F)(F)c2cccc(F)c2)n1 ZINC000599339248 553031260 /nfs/dbraw/zinc/03/12/60/553031260.db2.gz LAINEPAQCPSNBM-UHFFFAOYSA-N 0 2 364.305 1.538 20 5 FDBDLN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600461310 553271673 /nfs/dbraw/zinc/27/16/73/553271673.db2.gz UIRQYLZNTDRCTF-MFKMUULPSA-N 0 2 352.343 1.389 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000600669468 553297574 /nfs/dbraw/zinc/29/75/74/553297574.db2.gz NUOLSNIIYGMICD-UHFFFAOYSA-N 0 2 365.415 1.956 20 5 FDBDLN O=C(NCC[C@@H](O)COCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000600801097 553315895 /nfs/dbraw/zinc/31/58/95/553315895.db2.gz FVEFCQGCGHGOCU-OAHLLOKOSA-N 0 2 360.366 1.998 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000608927851 554329734 /nfs/dbraw/zinc/32/97/34/554329734.db2.gz LINCMWKPJVBWNX-UHFFFAOYSA-N 0 2 356.385 1.513 20 5 FDBDLN CCCc1[nH]nc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1[N+](=O)[O-] ZINC000609477031 554380814 /nfs/dbraw/zinc/38/08/14/554380814.db2.gz ZHAIQQKYKJPKAV-UHFFFAOYSA-N 0 2 358.314 1.866 20 5 FDBDLN CCOC(=O)c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000610590829 554535814 /nfs/dbraw/zinc/53/58/14/554535814.db2.gz ZLUUBVMXEYBKGS-UHFFFAOYSA-N 0 2 372.330 1.982 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(N(C)C)ncn1 ZINC000290974155 567917772 /nfs/dbraw/zinc/91/77/72/567917772.db2.gz QLQIUIOXPKJTRZ-UHFFFAOYSA-N 0 2 351.388 1.814 20 5 FDBDLN CCc1nc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000272386835 674437695 /nfs/dbraw/zinc/43/76/95/674437695.db2.gz YZPWQAQYNZKHED-UHFFFAOYSA-N 0 2 356.316 1.112 20 5 FDBDLN C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000736653168 599775420 /nfs/dbraw/zinc/77/54/20/599775420.db2.gz TZVQNAPVPZLCBV-QWRGUYRKSA-N 0 2 351.359 1.132 20 5 FDBDLN C[C@H]([C@H](C)Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000736672471 599778563 /nfs/dbraw/zinc/77/85/63/599778563.db2.gz PUTCVQQRQCYHIK-VHSXEESVSA-N 0 2 368.346 1.722 20 5 FDBDLN O=C([O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000739370647 601123116 /nfs/dbraw/zinc/12/31/16/601123116.db2.gz FFLHJZHVBACWQT-OAHLLOKOSA-N 0 2 367.321 1.731 20 5 FDBDLN O=C([O-])NC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740643308 601879767 /nfs/dbraw/zinc/87/97/67/601879767.db2.gz LSVSYZSIHGUAFR-NSHDSACASA-N 0 2 359.342 1.510 20 5 FDBDLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000828028855 601888076 /nfs/dbraw/zinc/88/80/76/601888076.db2.gz FOTMQKZCSIAKRX-KRWDZBQOSA-N 0 2 358.354 1.573 20 5 FDBDLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C1 ZINC000828028855 601888078 /nfs/dbraw/zinc/88/80/78/601888078.db2.gz FOTMQKZCSIAKRX-KRWDZBQOSA-N 0 2 358.354 1.573 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000739584699 601971638 /nfs/dbraw/zinc/97/16/38/601971638.db2.gz MCSPWPRYAWNJMW-CQSZACIVSA-N 0 2 362.386 1.558 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000739584699 601971639 /nfs/dbraw/zinc/97/16/39/601971639.db2.gz MCSPWPRYAWNJMW-CQSZACIVSA-N 0 2 362.386 1.558 20 5 FDBDLN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273170259 674514158 /nfs/dbraw/zinc/51/41/58/674514158.db2.gz DVUPXSQLVKNLAM-LBPRGKRZSA-N 0 2 353.400 1.588 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000827439291 603534070 /nfs/dbraw/zinc/53/40/70/603534070.db2.gz IYOGCEHZHSGBSF-NSHDSACASA-N 0 2 366.374 1.616 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000827439291 603534071 /nfs/dbraw/zinc/53/40/71/603534071.db2.gz IYOGCEHZHSGBSF-NSHDSACASA-N 0 2 366.374 1.616 20 5 FDBDLN CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830706905 604270830 /nfs/dbraw/zinc/27/08/30/604270830.db2.gz WPRZZQISANTDEG-JTQLQIEISA-N 0 2 373.793 1.076 20 5 FDBDLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835295 605363381 /nfs/dbraw/zinc/36/33/81/605363381.db2.gz XHOMZSONQNBNBZ-RYUDHWBXSA-N 0 2 371.415 1.347 20 5 FDBDLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835295 605363387 /nfs/dbraw/zinc/36/33/87/605363387.db2.gz XHOMZSONQNBNBZ-RYUDHWBXSA-N 0 2 371.415 1.347 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000833907288 605772463 /nfs/dbraw/zinc/77/24/63/605772463.db2.gz FUYWHZUPONDCHV-VXGBXAGGSA-N 0 2 350.375 1.962 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000833907288 605772465 /nfs/dbraw/zinc/77/24/65/605772465.db2.gz FUYWHZUPONDCHV-VXGBXAGGSA-N 0 2 350.375 1.962 20 5 FDBDLN Cc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822362456 607154485 /nfs/dbraw/zinc/15/44/85/607154485.db2.gz UGSBLCJCRUFKKR-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000278110252 675095043 /nfs/dbraw/zinc/09/50/43/675095043.db2.gz ACXRVLYTFPIDLD-SNVBAGLBSA-N 0 2 354.344 1.939 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000278126478 675096822 /nfs/dbraw/zinc/09/68/22/675096822.db2.gz BPTCLZAMFVZJIG-JTQLQIEISA-N 0 2 354.344 1.939 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c1F ZINC000126188241 671756997 /nfs/dbraw/zinc/75/69/97/671756997.db2.gz IAMISYNJPOAAGJ-UHFFFAOYSA-N 0 2 367.358 1.871 20 5 FDBDLN Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299425509 676534089 /nfs/dbraw/zinc/53/40/89/676534089.db2.gz SSWNDWOMFRSKBA-LLVKDONJSA-N 0 2 354.363 1.823 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000362933476 676927639 /nfs/dbraw/zinc/92/76/39/676927639.db2.gz TXCCSRGNKPCHFV-UHFFFAOYSA-N 0 2 371.396 1.933 20 5 FDBDLN COc1ncnc(N(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000427136482 680968023 /nfs/dbraw/zinc/96/80/23/680968023.db2.gz NNXLHWMVVKMYTH-UHFFFAOYSA-N 0 2 367.387 1.569 20 5 FDBDLN COC(=O)C(C)(C)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436819617 681732819 /nfs/dbraw/zinc/73/28/19/681732819.db2.gz DPQYESHEOFVDJK-UHFFFAOYSA-N 0 2 351.359 1.010 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(S(N)(=O)=O)c1 ZINC000436865172 681739662 /nfs/dbraw/zinc/73/96/62/681739662.db2.gz ROIXYZRAKHBXTI-VIFPVBQESA-N 0 2 365.367 1.439 20 5 FDBDLN CNS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436883218 681740773 /nfs/dbraw/zinc/74/07/73/681740773.db2.gz BUTLNGZQXXPYBW-UHFFFAOYSA-N 0 2 371.396 1.200 20 5 FDBDLN Cc1ncccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000467437330 684861012 /nfs/dbraw/zinc/86/10/12/684861012.db2.gz HDGFQZVGBSFINO-UHFFFAOYSA-N 0 2 351.340 1.870 20 5 FDBDLN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483432407 686506936 /nfs/dbraw/zinc/50/69/36/686506936.db2.gz IETHZTFGGVTLQB-LBPRGKRZSA-N 0 2 371.415 1.833 20 5 FDBDLN CN(Cc1ccccc1S(N)(=O)=O)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000486353045 686874114 /nfs/dbraw/zinc/87/41/14/686874114.db2.gz ZGPUTYXDBNSABZ-UHFFFAOYSA-N 0 2 365.367 1.220 20 5 FDBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])n[nH]1 ZINC000486605398 686916911 /nfs/dbraw/zinc/91/69/11/686916911.db2.gz PBQUKCRSUFCEFX-IUCAKERBSA-N 0 2 371.423 1.482 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)Nc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC000488297707 687036167 /nfs/dbraw/zinc/03/61/67/687036167.db2.gz PVMPIXJUKUGFDL-UHFFFAOYSA-N 0 2 370.318 1.037 20 5 FDBDLN COCc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1C(=O)OC ZINC000511173053 689481202 /nfs/dbraw/zinc/48/12/02/689481202.db2.gz OOECYALWUUSRDC-UHFFFAOYSA-N 0 2 367.339 1.942 20 5 FDBDLN C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892787911 791231190 /nfs/dbraw/zinc/23/11/90/791231190.db2.gz CGDUYFDWQHWRHA-GOSISDBHSA-N 0 2 355.398 1.995 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[C@@H](OC)C1 ZINC000514677898 815924153 /nfs/dbraw/zinc/92/41/53/815924153.db2.gz MGFQDOLAOYXTHH-IXPVHAAZSA-N 0 2 366.370 1.777 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])cn2)CCO1 ZINC000506499925 817878431 /nfs/dbraw/zinc/87/84/31/817878431.db2.gz PBHWLPFVSYWFQW-GFCCVEGCSA-N 0 2 372.381 1.851 20 5 FDBDLN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490581209 861613605 /nfs/dbraw/zinc/61/36/05/861613605.db2.gz CENYEFJAHMZHIC-TXEJJXNPSA-N 0 2 361.354 1.804 20 5 FDBDLN CONC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000915063220 875385508 /nfs/dbraw/zinc/38/55/08/875385508.db2.gz HTTAOWGRYSINDW-UHFFFAOYSA-N 0 2 367.339 1.392 20 5 FDBDLN O=C(NCc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034817180 885154787 /nfs/dbraw/zinc/15/47/87/885154787.db2.gz ZVMMIHSQLVXNBG-QZTJIDSGSA-N 0 2 369.425 1.401 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCCn1ccc([N+](=O)[O-])n1 ZINC000786779768 932031475 /nfs/dbraw/zinc/03/14/75/932031475.db2.gz VLISJJUBZMSCAW-VIFPVBQESA-N 0 2 352.269 1.038 20 5 FDBDLN COc1ccc(CSCC(=O)NOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000788118400 932561692 /nfs/dbraw/zinc/56/16/92/932561692.db2.gz OEOKPVVICBVVAZ-LBPRGKRZSA-N 0 2 356.400 1.921 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc([C@H](C)OC)ns1 ZINC000788216323 932605653 /nfs/dbraw/zinc/60/56/53/932605653.db2.gz IAXGHITWSUNNMB-ZETCQYMHSA-N 0 2 374.400 1.963 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F ZINC001138012980 941868532 /nfs/dbraw/zinc/86/85/32/941868532.db2.gz AJCIPXPCVNYBSI-HTQZYQBOSA-N 0 2 368.289 1.462 20 5 FDBDLN O=C(c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001147567096 952455885 /nfs/dbraw/zinc/45/58/85/952455885.db2.gz WEHHIXKUWCKIEL-UHFFFAOYSA-N 0 2 367.321 1.377 20 5 FDBDLN COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001593965693 956534239 /nfs/dbraw/zinc/53/42/39/956534239.db2.gz AOOMZLFVVFOTMZ-KRWDZBQOSA-N 0 2 374.353 1.344 20 5 FDBDLN C[C@]1(c2ccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000776199652 975094955 /nfs/dbraw/zinc/09/49/55/975094955.db2.gz JEVLAPNTKRTMCM-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN O=C(Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000851451468 978932522 /nfs/dbraw/zinc/93/25/22/978932522.db2.gz IGBXPEQFKIHEHP-KJWHEZOQSA-N 0 2 374.353 1.059 20 5 FDBDLN O=C(Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC1[N+](=O)[O-] ZINC000851451468 978932524 /nfs/dbraw/zinc/93/25/24/978932524.db2.gz IGBXPEQFKIHEHP-KJWHEZOQSA-N 0 2 374.353 1.059 20 5 FDBDLN CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271648930 999720813 /nfs/dbraw/zinc/72/08/13/999720813.db2.gz ZGCULLJHJGMIGX-JTQLQIEISA-N 0 2 368.346 1.008 20 5 FDBDLN Cc1nn(CCC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c(C)c1[N+](=O)[O-] ZINC000288703312 1000038968 /nfs/dbraw/zinc/03/89/68/1000038968.db2.gz BOPFWHRGDIMAQD-UHFFFAOYSA-N 0 2 371.357 1.515 20 5 FDBDLN C[NH+]1CCN(c2ccccc2-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)CC1 ZINC001212892927 1007042075 /nfs/dbraw/zinc/04/20/75/1007042075.db2.gz CVSKYVRVRRDLHW-UHFFFAOYSA-N 0 2 355.358 1.787 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000523458964 539609450 /nfs/dbraw/zinc/60/94/50/539609450.db2.gz IAGCRXVNQWQDDY-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000269227631 180249011 /nfs/dbraw/zinc/24/90/11/180249011.db2.gz FFWNAYZHXOSWAZ-NSHDSACASA-N 0 2 351.359 1.010 20 5 FDBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000269669723 180356867 /nfs/dbraw/zinc/35/68/67/180356867.db2.gz AQKXHUORWLHGMG-JTQLQIEISA-N 0 2 354.344 1.259 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)cn1 ZINC000275053083 181225810 /nfs/dbraw/zinc/22/58/10/181225810.db2.gz YZPPZKIEAPXYRT-UHFFFAOYSA-N 0 2 374.350 1.386 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2c[nH]nc2C)cc([N+](=O)[O-])c1C ZINC000534902761 540425621 /nfs/dbraw/zinc/42/56/21/540425621.db2.gz WQTLFIWSOVUTBF-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN O=C(c1cccc(O)c1)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000538386874 540851546 /nfs/dbraw/zinc/85/15/46/540851546.db2.gz HGWXKJRDJUOPPM-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000541072814 541146428 /nfs/dbraw/zinc/14/64/28/541146428.db2.gz ZHCXCQVQGXKCDE-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000541589423 541232911 /nfs/dbraw/zinc/23/29/11/541232911.db2.gz SAWHMOKCGHRLCW-UHFFFAOYSA-N 0 2 353.404 1.682 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)c1 ZINC000543658028 541629099 /nfs/dbraw/zinc/62/90/99/541629099.db2.gz TUHUVEZQPVMJSW-UHFFFAOYSA-N 0 2 367.387 1.084 20 5 FDBDLN COc1cc(C)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1OC ZINC000544404183 541764688 /nfs/dbraw/zinc/76/46/88/541764688.db2.gz SMBIIDYUBZWNOM-UHFFFAOYSA-N 0 2 353.356 1.538 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)[nH]n1 ZINC000545181373 541893909 /nfs/dbraw/zinc/89/39/09/541893909.db2.gz IYLZAACSXVYHHD-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN Cn1cnn(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)c1=O ZINC000552139317 543424331 /nfs/dbraw/zinc/42/43/31/543424331.db2.gz ATVGXYGFECRHBC-UHFFFAOYSA-N 0 2 355.310 1.437 20 5 FDBDLN COC(=O)CC1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])CCOCC1 ZINC000552711588 543506504 /nfs/dbraw/zinc/50/65/04/543506504.db2.gz HGBZWBARGIBLFG-UHFFFAOYSA-N 0 2 352.343 1.390 20 5 FDBDLN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc(N2CCCC2)n1 ZINC000557933089 544364000 /nfs/dbraw/zinc/36/40/00/544364000.db2.gz UOJBGWVDULZFBQ-UHFFFAOYSA-N 0 2 357.370 1.929 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000375670933 261395236 /nfs/dbraw/zinc/39/52/36/261395236.db2.gz DQLAEGMQENGBDT-NSHDSACASA-N 0 2 357.370 1.858 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369570 262011892 /nfs/dbraw/zinc/01/18/92/262011892.db2.gz KMFQBZJEMKQSRR-ZDUSSCGKSA-N 0 2 361.446 1.418 20 5 FDBDLN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2N1C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000378475444 262032865 /nfs/dbraw/zinc/03/28/65/262032865.db2.gz PXNJOBFUVWWDPI-UPYBOPHASA-N 0 2 374.353 1.085 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000023390243 518950843 /nfs/dbraw/zinc/95/08/43/518950843.db2.gz GDPJYSTUSIGABW-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073700079 522590012 /nfs/dbraw/zinc/59/00/12/522590012.db2.gz OXQZUVPWZKCSMU-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000052578766 523207475 /nfs/dbraw/zinc/20/74/75/523207475.db2.gz UNTWXNYBJYBGPB-UHFFFAOYSA-N 0 2 355.310 1.204 20 5 FDBDLN CCc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)no1 ZINC000077005241 523236106 /nfs/dbraw/zinc/23/61/06/523236106.db2.gz MMNODWJFIAXTDF-UHFFFAOYSA-N 0 2 361.358 1.204 20 5 FDBDLN O=C(NCCO)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000055622033 523835950 /nfs/dbraw/zinc/83/59/50/523835950.db2.gz XPKTVWAFPUCYGD-UHFFFAOYSA-N 0 2 365.367 1.118 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000114155425 524749989 /nfs/dbraw/zinc/74/99/89/524749989.db2.gz VBYOWUVDMWMEKN-UHFFFAOYSA-N 0 2 374.332 1.199 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000154532255 525564033 /nfs/dbraw/zinc/56/40/33/525564033.db2.gz YMKGJMJYTKOYNN-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000118998907 525601118 /nfs/dbraw/zinc/60/11/18/525601118.db2.gz BTVJTUADIFVQHD-UHFFFAOYSA-N 0 2 355.397 1.793 20 5 FDBDLN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186639605 536239596 /nfs/dbraw/zinc/23/95/96/536239596.db2.gz LNQBRXZHCYAXRW-UHFFFAOYSA-N 0 2 368.353 1.804 20 5 FDBDLN Cn1cc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC000190363800 537168644 /nfs/dbraw/zinc/16/86/44/537168644.db2.gz NBBVETIKEITMIP-UHFFFAOYSA-N 0 2 350.316 1.179 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273118 538269335 /nfs/dbraw/zinc/26/93/35/538269335.db2.gz VYPXMLJWXMXHII-BMIGLBTASA-N 0 2 351.359 1.727 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273118 538269343 /nfs/dbraw/zinc/26/93/43/538269343.db2.gz VYPXMLJWXMXHII-BMIGLBTASA-N 0 2 351.359 1.727 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c(F)c1 ZINC000446959668 538334094 /nfs/dbraw/zinc/33/40/94/538334094.db2.gz LAIYKPXHRKMNBR-SECBINFHSA-N 0 2 358.307 1.769 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cccnc2NC(C)=O)ccc1[N+](=O)[O-] ZINC000466959513 538584543 /nfs/dbraw/zinc/58/45/43/538584543.db2.gz KNBFZGWPJWDSEY-UHFFFAOYSA-N 0 2 366.355 1.758 20 5 FDBDLN O=C(CCNC(=O)c1[nH]nc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483442153 538700937 /nfs/dbraw/zinc/70/09/37/538700937.db2.gz RQXJUJMGEMLKAZ-UHFFFAOYSA-N 0 2 369.337 1.935 20 5 FDBDLN Cn1nc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000483444849 538701750 /nfs/dbraw/zinc/70/17/50/538701750.db2.gz UKQMZDAKLJZLBX-UHFFFAOYSA-N 0 2 354.322 1.729 20 5 FDBDLN CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469563475 538799212 /nfs/dbraw/zinc/79/92/12/538799212.db2.gz IVRXZOSJPYJTJA-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505224120 538857444 /nfs/dbraw/zinc/85/74/44/538857444.db2.gz MPLIRUSAQIEYRE-GFCCVEGCSA-N 0 2 372.337 1.307 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000561002113 545647993 /nfs/dbraw/zinc/64/79/93/545647993.db2.gz XFMRVBAWYWFHIL-UHFFFAOYSA-N 0 2 369.330 1.600 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000562487261 546153832 /nfs/dbraw/zinc/15/38/32/546153832.db2.gz PRDLMCHCYZVSGX-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000565069736 547186952 /nfs/dbraw/zinc/18/69/52/547186952.db2.gz MZQAFBQMYVNQDQ-UHFFFAOYSA-N 0 2 364.339 1.986 20 5 FDBDLN CNC(=O)CNC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000569600387 548977990 /nfs/dbraw/zinc/97/79/90/548977990.db2.gz BOYHBYVAGFTBLK-UHFFFAOYSA-N 0 2 372.337 1.029 20 5 FDBDLN CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[NH+]1CCOCC1 ZINC000569696087 549015171 /nfs/dbraw/zinc/01/51/71/549015171.db2.gz FWLXJDOUZBNYCI-UHFFFAOYSA-N 0 2 357.794 1.794 20 5 FDBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ncnn1-c1ccccc1 ZINC000573740085 550203308 /nfs/dbraw/zinc/20/33/08/550203308.db2.gz GEANAVURHSQWCH-UHFFFAOYSA-N 0 2 359.367 1.539 20 5 FDBDLN CCS(=O)(=O)N1CCC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000577834889 550699642 /nfs/dbraw/zinc/69/96/42/550699642.db2.gz AJVRVFRHRRLUHU-UHFFFAOYSA-N 0 2 371.415 1.092 20 5 FDBDLN Cn1c(=[NH2+])[n-]nc1SCCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000578666869 550789078 /nfs/dbraw/zinc/78/90/78/550789078.db2.gz AQFHFEUYUXFJDU-UHFFFAOYSA-N 0 2 350.360 1.396 20 5 FDBDLN COC(=O)CCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000583381236 551343094 /nfs/dbraw/zinc/34/30/94/551343094.db2.gz BXUONQHJHGSLFB-UHFFFAOYSA-N 0 2 372.384 1.353 20 5 FDBDLN O=C([O-])c1cnc(NCc2cc[nH+]c(N3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000584175357 551459303 /nfs/dbraw/zinc/45/93/03/551459303.db2.gz VGEDNIQTYYUFTB-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN COC(=O)Cc1occc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000589387308 551726385 /nfs/dbraw/zinc/72/63/85/551726385.db2.gz QYFMWJFJMISZMT-UHFFFAOYSA-N 0 2 371.309 1.941 20 5 FDBDLN O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000594487180 552324338 /nfs/dbraw/zinc/32/43/38/552324338.db2.gz LLWWWCXNRPBPTR-PSASIEDQSA-N 0 2 369.321 1.768 20 5 FDBDLN CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000597441812 552789642 /nfs/dbraw/zinc/78/96/42/552789642.db2.gz HQUGIBXNUTZUFO-CYBMUJFWSA-N 0 2 357.388 1.345 20 5 FDBDLN CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000599714670 553128202 /nfs/dbraw/zinc/12/82/02/553128202.db2.gz XNMFZDJPACGECD-UHFFFAOYSA-N 0 2 366.374 1.048 20 5 FDBDLN COC(=O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000610702819 554552539 /nfs/dbraw/zinc/55/25/39/554552539.db2.gz KWGIABSJRYSZNH-CQSZACIVSA-N 0 2 368.342 1.927 20 5 FDBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000616342645 555293795 /nfs/dbraw/zinc/29/37/95/555293795.db2.gz NWYSNUPXCCGAPT-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN COC(=O)c1sccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000619567522 555800379 /nfs/dbraw/zinc/80/03/79/555800379.db2.gz IKHALYUCIQVEBZ-UHFFFAOYSA-N 0 2 358.353 1.949 20 5 FDBDLN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639720 568199526 /nfs/dbraw/zinc/19/95/26/568199526.db2.gz QPCXXGQFLNUVEK-GFCCVEGCSA-N 0 2 369.333 1.758 20 5 FDBDLN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000436659871 568253515 /nfs/dbraw/zinc/25/35/15/568253515.db2.gz ARXWVUNTDSFLFA-UHFFFAOYSA-N 0 2 369.333 1.717 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832958564 601024153 /nfs/dbraw/zinc/02/41/53/601024153.db2.gz LGZOYDJBHIZNIA-LBPRGKRZSA-N 0 2 353.400 1.734 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000832958564 601024156 /nfs/dbraw/zinc/02/41/56/601024156.db2.gz LGZOYDJBHIZNIA-LBPRGKRZSA-N 0 2 353.400 1.734 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000832905870 601259676 /nfs/dbraw/zinc/25/96/76/601259676.db2.gz XOUXYORCELQZRS-LBPRGKRZSA-N 0 2 371.415 1.073 20 5 FDBDLN C[C@H]1C[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C(=O)[O-] ZINC000828463845 601817560 /nfs/dbraw/zinc/81/75/60/601817560.db2.gz RMYPEZOEDMTVMK-SMDDNHRTSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@H]1C[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@H]1C(=O)[O-] ZINC000828463845 601817561 /nfs/dbraw/zinc/81/75/61/601817561.db2.gz RMYPEZOEDMTVMK-SMDDNHRTSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738631225 601978143 /nfs/dbraw/zinc/97/81/43/601978143.db2.gz MQLYJRHARQDLNY-SMDDNHRTSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738631225 601978146 /nfs/dbraw/zinc/97/81/46/601978146.db2.gz MQLYJRHARQDLNY-SMDDNHRTSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)[O-] ZINC000825926571 603720909 /nfs/dbraw/zinc/72/09/09/603720909.db2.gz WVQVYNQGHBQMQZ-RISCZKNCSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CNC(=O)[O-] ZINC000825926571 603720915 /nfs/dbraw/zinc/72/09/15/603720915.db2.gz WVQVYNQGHBQMQZ-RISCZKNCSA-N 0 2 350.375 1.901 20 5 FDBDLN Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891094 604800609 /nfs/dbraw/zinc/80/06/09/604800609.db2.gz KZAMEIGILUHKKS-XMMPIXPASA-N 0 2 355.416 1.102 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccsc2)c1-c1nn[nH]n1 ZINC000823648156 607156284 /nfs/dbraw/zinc/15/62/84/607156284.db2.gz SNNJEFGXHLSZTH-UHFFFAOYSA-N 0 2 352.357 1.637 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000277867929 675056523 /nfs/dbraw/zinc/05/65/23/675056523.db2.gz ZTHFBKSSAKNSNB-NSHDSACASA-N 0 2 363.267 1.780 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000277867929 675056525 /nfs/dbraw/zinc/05/65/25/675056525.db2.gz ZTHFBKSSAKNSNB-NSHDSACASA-N 0 2 363.267 1.780 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2nnc(CC(C)C)o2)ccc1[N+](=O)[O-] ZINC000278461180 675141015 /nfs/dbraw/zinc/14/10/15/675141015.db2.gz ZYLIVEMNHBYNHX-UHFFFAOYSA-N 0 2 356.360 1.986 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)C(F)(F)F ZINC000290713023 676225884 /nfs/dbraw/zinc/22/58/84/676225884.db2.gz MOKLOIIVXMXARU-SECBINFHSA-N 0 2 358.269 1.385 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](F)C(F)(F)F ZINC000290713023 676225885 /nfs/dbraw/zinc/22/58/85/676225885.db2.gz MOKLOIIVXMXARU-SECBINFHSA-N 0 2 358.269 1.385 20 5 FDBDLN Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000436947188 681745823 /nfs/dbraw/zinc/74/58/23/681745823.db2.gz RFAHMIHZRDYYRK-UHFFFAOYSA-N 0 2 365.367 1.817 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cn1C ZINC000439572168 681935836 /nfs/dbraw/zinc/93/58/36/681935836.db2.gz MWUGDTSBZSMGCS-UHFFFAOYSA-N 0 2 369.355 1.529 20 5 FDBDLN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000442341636 682145875 /nfs/dbraw/zinc/14/58/75/682145875.db2.gz PTOPFKQSSXEVQH-UHFFFAOYSA-N 0 2 357.369 1.194 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000493153525 687410348 /nfs/dbraw/zinc/41/03/48/687410348.db2.gz MMJUBGGLPRKQDJ-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C(N)=O)c(C)c1 ZINC000504967362 688468307 /nfs/dbraw/zinc/46/83/07/688468307.db2.gz NXJKRKCCVJTAPW-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN Cn1ccnc1C(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nccn1C ZINC001167235592 771785184 /nfs/dbraw/zinc/78/51/84/771785184.db2.gz QGKQYFPIIXCFAL-UHFFFAOYSA-N 0 2 356.342 1.287 20 5 FDBDLN O=C(N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001143500858 792874899 /nfs/dbraw/zinc/87/48/99/792874899.db2.gz UCLHVODHIXAHPU-GJZGRUSLSA-N 0 2 350.371 1.740 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cncnc2)ccc1Br ZINC000767046219 929051864 /nfs/dbraw/zinc/05/18/64/929051864.db2.gz JFSDEFSQTMGSMC-UHFFFAOYSA-N 0 2 359.161 1.948 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1O ZINC000807384901 940342741 /nfs/dbraw/zinc/34/27/41/940342741.db2.gz VGZGGNZTCLYCOX-UHFFFAOYSA-N 0 2 367.339 1.166 20 5 FDBDLN CCOC(=O)c1nnn(Cc2ccccc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000824118361 946217905 /nfs/dbraw/zinc/21/79/05/946217905.db2.gz MCCQPYHKPFDIRC-VXGBXAGGSA-N 0 2 359.342 1.107 20 5 FDBDLN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1n[nH]c(=O)[nH]1 ZINC000774874064 963936994 /nfs/dbraw/zinc/93/69/94/963936994.db2.gz UAWWGVAFDUXSQZ-UHFFFAOYSA-N 0 2 361.236 1.593 20 5 FDBDLN C[C@@H](NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)c1nn(C)cc1O ZINC001179926963 965033447 /nfs/dbraw/zinc/03/34/47/965033447.db2.gz QZOITQOTYAAIQD-LLVKDONJSA-N 0 2 370.369 1.770 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000775106846 965100717 /nfs/dbraw/zinc/10/07/17/965100717.db2.gz GQNOZZBLUATABX-QMMMGPOBSA-N 0 2 358.307 1.769 20 5 FDBDLN COC(=O)[C@](C)(NC(=O)C(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300960 972777520 /nfs/dbraw/zinc/77/75/20/972777520.db2.gz KWWZSBSSBMFRDA-JOYOIKCWSA-N 0 2 352.240 2.000 20 5 FDBDLN COC(=O)[C@](C)(NC(=O)[C@H](F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300960 972777532 /nfs/dbraw/zinc/77/75/32/972777532.db2.gz KWWZSBSSBMFRDA-JOYOIKCWSA-N 0 2 352.240 2.000 20 5 FDBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC000794619962 973483413 /nfs/dbraw/zinc/48/34/13/973483413.db2.gz NCMGLBIPQGZWPM-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001606291296 973694415 /nfs/dbraw/zinc/69/44/15/973694415.db2.gz GQAFAQVEVTWZJC-ZDUSSCGKSA-N 0 2 356.400 1.274 20 5 FDBDLN O=C([O-])CS(=O)(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001606291296 973694420 /nfs/dbraw/zinc/69/44/20/973694420.db2.gz GQAFAQVEVTWZJC-ZDUSSCGKSA-N 0 2 356.400 1.274 20 5 FDBDLN NC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)[C@H]2C[C@H]2[N+](=O)[O-])CCO3)s1 ZINC000363022983 988838052 /nfs/dbraw/zinc/83/80/52/988838052.db2.gz XNBLZKRISNQRSR-WDEREUQCSA-N 0 2 373.390 1.905 20 5 FDBDLN COC(=O)N1CCC[N@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001598882471 996834957 /nfs/dbraw/zinc/83/49/57/996834957.db2.gz XBCHKKPQZRKXNM-UHFFFAOYSA-N 0 2 367.358 1.332 20 5 FDBDLN COC(=O)N1CCC[N@@H+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001598882471 996834970 /nfs/dbraw/zinc/83/49/70/996834970.db2.gz XBCHKKPQZRKXNM-UHFFFAOYSA-N 0 2 367.358 1.332 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000778801369 1006833530 /nfs/dbraw/zinc/83/35/30/1006833530.db2.gz OYBDEUXIJBPPCO-JTQLQIEISA-N 0 2 357.326 1.592 20 5 FDBDLN O=[N+]([O-])c1nc[nH]c1-c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC001212893119 1007038420 /nfs/dbraw/zinc/03/84/20/1007038420.db2.gz NEHFYNBOHPIMBT-UHFFFAOYSA-N 0 2 356.342 1.867 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000953926671 1012885734 /nfs/dbraw/zinc/88/57/34/1012885734.db2.gz AVUSEKVAHPXHIN-UKRRQHHQSA-N 0 2 371.397 1.291 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)c([N+](=O)[O-])n1 ZINC000535892962 540525367 /nfs/dbraw/zinc/52/53/67/540525367.db2.gz WCEWKKBEORPEAR-UHFFFAOYSA-N 0 2 354.320 1.401 20 5 FDBDLN COC(=O)c1nscc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000537654432 540757159 /nfs/dbraw/zinc/75/71/59/540757159.db2.gz NWLYEVFMIBLIMY-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000537768696 540772653 /nfs/dbraw/zinc/77/26/53/540772653.db2.gz QAOMUXZJUDZSKO-UHFFFAOYSA-N 0 2 370.321 1.576 20 5 FDBDLN O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541587436 541232760 /nfs/dbraw/zinc/23/27/60/541232760.db2.gz CXLHGALQYFUMCN-UHFFFAOYSA-N 0 2 365.367 1.608 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1 ZINC000542734826 541455429 /nfs/dbraw/zinc/45/54/29/541455429.db2.gz NKJJAXSLZQPELM-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN CS(=O)(=O)CC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000295834697 184108069 /nfs/dbraw/zinc/10/80/69/184108069.db2.gz ZQSSDFGMMRMQKR-UHFFFAOYSA-N 0 2 356.400 1.634 20 5 FDBDLN CCc1nc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n[nH]1 ZINC000297147493 184239138 /nfs/dbraw/zinc/23/91/38/184239138.db2.gz RDOQFYCWIJCELG-UHFFFAOYSA-N 0 2 363.758 1.546 20 5 FDBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000552029355 543408261 /nfs/dbraw/zinc/40/82/61/543408261.db2.gz QYODVFJRAXUOSG-UHFFFAOYSA-N 0 2 356.298 1.747 20 5 FDBDLN Cc1cc(C)nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000128389387 173108542 /nfs/dbraw/zinc/10/85/42/173108542.db2.gz DSKNGPKMBWRPGW-UHFFFAOYSA-N 0 2 357.370 1.670 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1 ZINC000559183362 544603580 /nfs/dbraw/zinc/60/35/80/544603580.db2.gz MOCVCSMCLUIMKB-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cc(S(C)(=O)=O)ccn2)cc1[N+](=O)[O-] ZINC000559963665 544854697 /nfs/dbraw/zinc/85/46/97/544854697.db2.gz UZPZWGYQHQYHGB-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000367522657 260054994 /nfs/dbraw/zinc/05/49/94/260054994.db2.gz IBFFAVMRXSCUQI-HNNXBMFYSA-N 0 2 363.370 1.154 20 5 FDBDLN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000373377636 261005424 /nfs/dbraw/zinc/00/54/24/261005424.db2.gz OQSZFQUKDDXKOT-SECBINFHSA-N 0 2 363.399 1.737 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CSCN1C(=O)C1CCC1 ZINC000378417954 262020785 /nfs/dbraw/zinc/02/07/85/262020785.db2.gz PCKWEDJDUDWNEU-LBPRGKRZSA-N 0 2 351.384 1.941 20 5 FDBDLN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2N1C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000378475451 262033286 /nfs/dbraw/zinc/03/32/86/262033286.db2.gz PXNJOBFUVWWDPI-XWKQNIGYSA-N 0 2 374.353 1.085 20 5 FDBDLN COc1ccc(-c2n[nH]c(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)c(OC)c1 ZINC000495295409 489934929 /nfs/dbraw/zinc/93/49/29/489934929.db2.gz WGQAEUCYCDQKCU-UHFFFAOYSA-N 0 2 373.329 1.383 20 5 FDBDLN CN1C(=O)COc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000011908297 518576965 /nfs/dbraw/zinc/57/69/65/518576965.db2.gz VSASGROJKFSXNH-UHFFFAOYSA-N 0 2 363.351 1.751 20 5 FDBDLN CNC(=O)Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000077704625 523422601 /nfs/dbraw/zinc/42/26/01/523422601.db2.gz UULWCIRECXGZFY-UHFFFAOYSA-N 0 2 363.395 1.993 20 5 FDBDLN Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000160412361 524882429 /nfs/dbraw/zinc/88/24/29/524882429.db2.gz MUWHCKQKMYGSKH-UHFFFAOYSA-N 0 2 373.413 1.609 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nnnn1-c1ccccc1 ZINC000115727035 525052357 /nfs/dbraw/zinc/05/23/57/525052357.db2.gz ILMZHJUEXPYOEE-SNVBAGLBSA-N 0 2 354.326 1.767 20 5 FDBDLN O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000101671671 525246706 /nfs/dbraw/zinc/24/67/06/525246706.db2.gz FZBCFLHQFPPTEN-HNNXBMFYSA-N 0 2 369.377 1.920 20 5 FDBDLN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000166152698 525574368 /nfs/dbraw/zinc/57/43/68/525574368.db2.gz UKGDOYXOCFUXTJ-UHFFFAOYSA-N 0 2 359.386 1.885 20 5 FDBDLN O=C(NCCNc1nccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1O ZINC000179509757 525594617 /nfs/dbraw/zinc/59/46/17/525594617.db2.gz KLAZFFBVIUGQTC-UHFFFAOYSA-N 0 2 371.275 1.951 20 5 FDBDLN Cn1c2ccccc2n(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1=O ZINC000182087542 526050973 /nfs/dbraw/zinc/05/09/73/526050973.db2.gz AIPJYKMQEWAOSU-UHFFFAOYSA-N 0 2 356.338 1.983 20 5 FDBDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000182140783 526069935 /nfs/dbraw/zinc/06/99/35/526069935.db2.gz OVPDSJSBSGCJKJ-SNVBAGLBSA-N 0 2 361.276 1.584 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CCOC)c1 ZINC000290542345 537368919 /nfs/dbraw/zinc/36/89/19/537368919.db2.gz PKGPAGGNIOXCBF-UHFFFAOYSA-N 0 2 354.388 1.801 20 5 FDBDLN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273118742 537397832 /nfs/dbraw/zinc/39/78/32/537397832.db2.gz QAPXCWKOYNCFRX-HNNXBMFYSA-N 0 2 370.365 1.616 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1S(N)(=O)=O ZINC000324706815 537619634 /nfs/dbraw/zinc/61/96/34/537619634.db2.gz BUOHRLRQSQVNID-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN CC(C)(NC(=O)C(F)(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290120220 537674366 /nfs/dbraw/zinc/67/43/66/537674366.db2.gz OYSKPMDVGVNWPU-UHFFFAOYSA-N 0 2 359.264 1.877 20 5 FDBDLN Cc1cncc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000432382260 538143086 /nfs/dbraw/zinc/14/30/86/538143086.db2.gz UQSUOHKGYSJBEP-UHFFFAOYSA-N 0 2 351.340 1.870 20 5 FDBDLN COC(=O)C[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000436701476 538412558 /nfs/dbraw/zinc/41/25/58/538412558.db2.gz DRDHSFVUFYAXGY-KRWDZBQOSA-N 0 2 359.338 1.904 20 5 FDBDLN COCCN(Cc1c(C)nn(C)c1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000457267957 538482851 /nfs/dbraw/zinc/48/28/51/538482851.db2.gz WCPOGIZEFANIKA-UHFFFAOYSA-N 0 2 362.386 1.940 20 5 FDBDLN CNS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000461466174 538521424 /nfs/dbraw/zinc/52/14/24/538521424.db2.gz RSEMLBUGYFCJHT-UHFFFAOYSA-N 0 2 367.339 1.166 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000560578256 545548067 /nfs/dbraw/zinc/54/80/67/545548067.db2.gz JOGPBTJBZKTFQP-KBPBESRZSA-N 0 2 354.384 1.482 20 5 FDBDLN CCn1nc(C)c([N+](=O)[O-])c1N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000565039651 547169459 /nfs/dbraw/zinc/16/94/59/547169459.db2.gz CUGSRNHMZDQAJG-UHFFFAOYSA-N 0 2 360.374 1.539 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1n[n-]c(=[NH2+])n1C ZINC000565213096 547257774 /nfs/dbraw/zinc/25/77/74/547257774.db2.gz KFHNGDJTRAIRMM-ZETCQYMHSA-N 0 2 352.376 1.433 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(N(C)C)ncn2)c1 ZINC000565984628 547555423 /nfs/dbraw/zinc/55/54/23/547555423.db2.gz YPIZFYCTBVXDIM-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000567390907 548102727 /nfs/dbraw/zinc/10/27/27/548102727.db2.gz KIVWKSXQOXGACW-SNVBAGLBSA-N 0 2 357.794 1.747 20 5 FDBDLN C[C@H](c1cccnc1)[NH+]1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000568517706 548570426 /nfs/dbraw/zinc/57/04/26/548570426.db2.gz YCSIZDFWDFDMKZ-GFCCVEGCSA-N 0 2 357.370 1.966 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(=O)OC)c1 ZINC000569979131 549118589 /nfs/dbraw/zinc/11/85/89/549118589.db2.gz NFPPHDMRKYRCHE-UHFFFAOYSA-N 0 2 368.371 1.328 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000575435845 550463566 /nfs/dbraw/zinc/46/35/66/550463566.db2.gz ZMSZEKFCKAGGIF-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN C[C@@H]1CCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H]1C(=O)[O-] ZINC000576346719 550538122 /nfs/dbraw/zinc/53/81/22/550538122.db2.gz NQUFEBSDHADOFE-HIFRSBDPSA-N 0 2 363.414 1.974 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNc3ncc(C(=O)[O-])cc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000582788084 551267442 /nfs/dbraw/zinc/26/74/42/551267442.db2.gz BZVRKKXGLPMGNN-LLVKDONJSA-N 0 2 373.369 1.920 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000591279331 551855476 /nfs/dbraw/zinc/85/54/76/551855476.db2.gz CTBVWCKOSPQBHF-SNVBAGLBSA-N 0 2 359.333 1.303 20 5 FDBDLN COC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000594730812 552366095 /nfs/dbraw/zinc/36/60/95/552366095.db2.gz PZVZSJNQUDANTD-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000597834911 552838220 /nfs/dbraw/zinc/83/82/20/552838220.db2.gz AFCSVFGBNCKLNH-NSHDSACASA-N 0 2 352.343 1.483 20 5 FDBDLN CCOC(=O)C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC000598053758 552861456 /nfs/dbraw/zinc/86/14/56/552861456.db2.gz HNFGZXHGDKAJJE-SECBINFHSA-N 0 2 350.249 1.914 20 5 FDBDLN Cn1cccc1C(=O)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000598505396 552903320 /nfs/dbraw/zinc/90/33/20/552903320.db2.gz HHEAQLVPOYFMEZ-UHFFFAOYSA-N 0 2 358.354 1.237 20 5 FDBDLN CC(C)(C)OC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOCC1 ZINC000598521850 552904973 /nfs/dbraw/zinc/90/49/73/552904973.db2.gz JZMFMFJRZQWHRZ-UHFFFAOYSA-N 0 2 366.370 1.921 20 5 FDBDLN COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600424307 553264895 /nfs/dbraw/zinc/26/48/95/553264895.db2.gz BKCZXRFKGHIVFQ-JQWIXIFHSA-N 0 2 352.343 1.389 20 5 FDBDLN Cc1cc(-c2nnc(NS(=O)(=O)c3nn(C)cc3[N+](=O)[O-])o2)c(C)o1 ZINC000600666860 553296511 /nfs/dbraw/zinc/29/65/11/553296511.db2.gz ICDKZLBMWGTHSG-UHFFFAOYSA-N 0 2 368.331 1.389 20 5 FDBDLN CCC(CC)c1nnc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000600668012 553296769 /nfs/dbraw/zinc/29/67/69/553296769.db2.gz KMIPXNQKEASYPB-UHFFFAOYSA-N 0 2 360.421 1.884 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)n1 ZINC000600668233 553297227 /nfs/dbraw/zinc/29/72/27/553297227.db2.gz JKSFJWQSHPECRM-UHFFFAOYSA-N 0 2 371.322 1.690 20 5 FDBDLN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000600867680 553322486 /nfs/dbraw/zinc/32/24/86/553322486.db2.gz CDKYSOWTCNJAOI-SNVBAGLBSA-N 0 2 361.358 1.092 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000611535482 554643396 /nfs/dbraw/zinc/64/33/96/554643396.db2.gz JGNFHYFWQRPWKI-ZDUSSCGKSA-N 0 2 352.343 1.483 20 5 FDBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(S(N)(=O)=O)c1 ZINC000618899340 555691960 /nfs/dbraw/zinc/69/19/60/555691960.db2.gz XGMCASHGWOOKOS-VIFPVBQESA-N 0 2 365.367 1.439 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 ZINC000619466797 555781815 /nfs/dbraw/zinc/78/18/15/555781815.db2.gz TWIIKLRAQYSVQG-UHFFFAOYSA-N 0 2 365.367 1.432 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 ZINC000619466358 555781875 /nfs/dbraw/zinc/78/18/75/555781875.db2.gz TZMNIYJXWKZONE-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436670672 568260654 /nfs/dbraw/zinc/26/06/54/568260654.db2.gz RXEFPIRNQKFVBF-UHFFFAOYSA-N 0 2 350.352 1.634 20 5 FDBDLN COc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000738028485 599758578 /nfs/dbraw/zinc/75/85/78/599758578.db2.gz RTEXBTGEFPVWOD-MRXNPFEDSA-N 0 2 359.338 1.957 20 5 FDBDLN O=C([O-])C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000833249002 601048120 /nfs/dbraw/zinc/04/81/20/601048120.db2.gz QYCVIIFZAWNWBS-UHFFFAOYSA-N 0 2 362.342 1.710 20 5 FDBDLN O=C([O-])C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCOCC1 ZINC000833249002 601048123 /nfs/dbraw/zinc/04/81/23/601048123.db2.gz QYCVIIFZAWNWBS-UHFFFAOYSA-N 0 2 362.342 1.710 20 5 FDBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641102 601981653 /nfs/dbraw/zinc/98/16/53/601981653.db2.gz XJMCQTSAVLWHAA-FZMZJTMJSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641102 601981654 /nfs/dbraw/zinc/98/16/54/601981654.db2.gz XJMCQTSAVLWHAA-FZMZJTMJSA-N 0 2 350.375 1.996 20 5 FDBDLN CN(C[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739663788 602524702 /nfs/dbraw/zinc/52/47/02/602524702.db2.gz BJZMBGFOMXWGJY-JTQLQIEISA-N 0 2 350.331 1.392 20 5 FDBDLN CN(C[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739663788 602524703 /nfs/dbraw/zinc/52/47/03/602524703.db2.gz BJZMBGFOMXWGJY-JTQLQIEISA-N 0 2 350.331 1.392 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740625810 602772107 /nfs/dbraw/zinc/77/21/07/602772107.db2.gz MHJJBNKUGGXMNO-OLZOCXBDSA-N 0 2 373.369 1.947 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739871843 602795981 /nfs/dbraw/zinc/79/59/81/602795981.db2.gz OEUSDVWZCRMMBA-ZYHUDNBSSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000739871843 602795986 /nfs/dbraw/zinc/79/59/86/602795986.db2.gz OEUSDVWZCRMMBA-ZYHUDNBSSA-N 0 2 366.374 1.520 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828513888 603507373 /nfs/dbraw/zinc/50/73/73/603507373.db2.gz RKUXFISHZOOYLQ-SNVBAGLBSA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828513888 603507374 /nfs/dbraw/zinc/50/73/74/603507374.db2.gz RKUXFISHZOOYLQ-SNVBAGLBSA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](CNC(=O)[O-])C1 ZINC000828507818 604398037 /nfs/dbraw/zinc/39/80/37/604398037.db2.gz TWBZXDIPKXXPGT-GFCCVEGCSA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](CNC(=O)[O-])C1 ZINC000828507818 604398040 /nfs/dbraw/zinc/39/80/40/604398040.db2.gz TWBZXDIPKXXPGT-GFCCVEGCSA-N 0 2 356.766 1.272 20 5 FDBDLN O=C([O-])N1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000834026606 605545608 /nfs/dbraw/zinc/54/56/08/605545608.db2.gz CADBXCKMIMPBAY-LLVKDONJSA-N 0 2 359.342 1.510 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CNC(=O)[O-])C1 ZINC000828506061 605740861 /nfs/dbraw/zinc/74/08/61/605740861.db2.gz COCRTAAASWVDIB-JTQLQIEISA-N 0 2 371.781 1.664 20 5 FDBDLN C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CNC(=O)[O-])C1 ZINC000828506061 605740865 /nfs/dbraw/zinc/74/08/65/605740865.db2.gz COCRTAAASWVDIB-JTQLQIEISA-N 0 2 371.781 1.664 20 5 FDBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000278469820 675142765 /nfs/dbraw/zinc/14/27/65/675142765.db2.gz GUPOTYHRZNRSGZ-UHFFFAOYSA-N 0 2 357.304 1.639 20 5 FDBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1[N+](=O)[O-] ZINC000078824393 671444889 /nfs/dbraw/zinc/44/48/89/671444889.db2.gz IPYHNQNXMMUZAS-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000287820443 675925155 /nfs/dbraw/zinc/92/51/55/675925155.db2.gz QHAFKZCWEQBVKY-GFCCVEGCSA-N 0 2 351.359 1.993 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(-n2cncn2)nc1 ZINC000194722415 672388327 /nfs/dbraw/zinc/38/83/27/672388327.db2.gz QGAJQNAANPRZLI-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN NC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000410355169 678890789 /nfs/dbraw/zinc/89/07/89/678890789.db2.gz QESYCIOFSOMXLX-UHFFFAOYSA-N 0 2 371.758 1.854 20 5 FDBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436753157 681721773 /nfs/dbraw/zinc/72/17/73/681721773.db2.gz CFSODIHQXFVQAW-UHFFFAOYSA-N 0 2 365.367 1.851 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436865961 681739643 /nfs/dbraw/zinc/73/96/43/681739643.db2.gz VLXLXUACQTXILP-LBPRGKRZSA-N 0 2 350.302 1.609 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000442237550 682135787 /nfs/dbraw/zinc/13/57/87/682135787.db2.gz GUJSENPHSCQWFR-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000446956697 682519966 /nfs/dbraw/zinc/51/99/66/682519966.db2.gz IHUVYYNVRWVCNB-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1C ZINC000451106925 682819673 /nfs/dbraw/zinc/81/96/73/682819673.db2.gz MVFKUWBMVGXVBX-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000508068996 688703122 /nfs/dbraw/zinc/70/31/22/688703122.db2.gz PFURRTPVSRRHPO-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN CS(=O)(=O)Nc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000508359206 688728720 /nfs/dbraw/zinc/72/87/20/688728720.db2.gz MKJNJXBRQYJQOM-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN CCOC(=O)c1cnccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000558599594 694910514 /nfs/dbraw/zinc/91/05/14/694910514.db2.gz PSJFJZFYUWSKRP-UHFFFAOYSA-N 0 2 365.367 1.698 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)[nH]1 ZINC000377485899 791932878 /nfs/dbraw/zinc/93/28/78/791932878.db2.gz SQLSIQRROGSVRH-LLVKDONJSA-N 0 2 371.357 1.848 20 5 FDBDLN Cc1noc(COCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC000512500583 809601403 /nfs/dbraw/zinc/60/14/03/809601403.db2.gz XKTZBUXKHJXLQE-UHFFFAOYSA-N 0 2 359.302 1.227 20 5 FDBDLN NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436869041 816767166 /nfs/dbraw/zinc/76/71/66/816767166.db2.gz CHPXQAVDXDZMMY-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN O=C([O-])C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000262969855 832130459 /nfs/dbraw/zinc/13/04/59/832130459.db2.gz OOVBOGZYHJXGMX-UHFFFAOYSA-N 0 2 360.326 1.144 20 5 FDBDLN Cc1nc2c(cccc2C(=O)N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC000941012957 893634844 /nfs/dbraw/zinc/63/48/44/893634844.db2.gz UJOTYLOVDQWZPA-UKRRQHHQSA-N 0 2 371.397 1.211 20 5 FDBDLN Cn1nncc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000808564518 940558850 /nfs/dbraw/zinc/55/88/50/940558850.db2.gz VSVZHJURXBQKRL-UHFFFAOYSA-N 0 2 362.165 1.287 20 5 FDBDLN O=C([O-])C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCOC1 ZINC000823348811 945678840 /nfs/dbraw/zinc/67/88/40/945678840.db2.gz DFKRBHSGZHUPCY-QGZVFWFLSA-N 0 2 374.353 1.534 20 5 FDBDLN COc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000845489670 949375094 /nfs/dbraw/zinc/37/50/94/949375094.db2.gz OQKWOXORVGGZND-JTQLQIEISA-N 0 2 368.371 1.256 20 5 FDBDLN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773649349 963788365 /nfs/dbraw/zinc/78/83/65/963788365.db2.gz JMWUAOPDTGECHW-SNVBAGLBSA-N 0 2 360.374 1.504 20 5 FDBDLN C[C@@]1(c2cccc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2)NC(=O)NC1=O ZINC000776198281 975092523 /nfs/dbraw/zinc/09/25/23/975092523.db2.gz XZRASIISZNVNQI-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCc1cn(C)nc1[N+](=O)[O-] ZINC000847785390 976047639 /nfs/dbraw/zinc/04/76/39/976047639.db2.gz PERMWVDFMQXYAN-QMMMGPOBSA-N 0 2 352.269 1.075 20 5 FDBDLN C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)Cn1cc[nH+]c1 ZINC001592722476 979225294 /nfs/dbraw/zinc/22/52/94/979225294.db2.gz HSCBJKTZFBJCHL-SNVBAGLBSA-N 0 2 368.371 1.104 20 5 FDBDLN CN(C(=O)c1cccc2[nH]cnc21)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000954191621 1006156169 /nfs/dbraw/zinc/15/61/69/1006156169.db2.gz ASMTUXSEHFCIER-UKRRQHHQSA-N 0 2 371.397 1.291 20 5 FDBDLN O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000518379180 539414594 /nfs/dbraw/zinc/41/45/94/539414594.db2.gz GLUGLKGOZNABPA-NSHDSACASA-N 0 2 361.358 1.594 20 5 FDBDLN COCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274924278 181196683 /nfs/dbraw/zinc/19/66/83/181196683.db2.gz KBWBHSDEWRKTJE-UHFFFAOYSA-N 0 2 351.359 1.058 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1[N+](=O)[O-] ZINC000275007713 181217020 /nfs/dbraw/zinc/21/70/20/181217020.db2.gz LZTUIEBSGRXWBS-UHFFFAOYSA-N 0 2 358.351 1.894 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2ccc(OC(C)C)nc2)c([N+](=O)[O-])n1 ZINC000534497503 540373714 /nfs/dbraw/zinc/37/37/14/540373714.db2.gz XVDZCCFPYDFDLG-UHFFFAOYSA-N 0 2 355.376 1.794 20 5 FDBDLN O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000538555475 540868124 /nfs/dbraw/zinc/86/81/24/540868124.db2.gz GYRFTXYOZXAXLF-UHFFFAOYSA-N 0 2 356.294 1.609 20 5 FDBDLN Cn1nnc2cc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cnc21 ZINC000541796158 541267080 /nfs/dbraw/zinc/26/70/80/541267080.db2.gz FKGPVWMAQOVULL-UHFFFAOYSA-N 0 2 365.313 1.309 20 5 FDBDLN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000275696652 181390259 /nfs/dbraw/zinc/39/02/59/181390259.db2.gz QBNJQNITBAHHRE-LRDDRELGSA-N 0 2 360.370 1.911 20 5 FDBDLN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc(=O)c2sccc2[nH]1 ZINC000098070045 209203594 /nfs/dbraw/zinc/20/35/94/209203594.db2.gz OJLMPCYHHPVQCD-UHFFFAOYSA-N 0 2 356.319 1.689 20 5 FDBDLN O=C(COCCNC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000544257028 541741219 /nfs/dbraw/zinc/74/12/19/541741219.db2.gz GDWQBFMGLIXJKG-UHFFFAOYSA-N 0 2 359.338 1.686 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)c([N+](=O)[O-])c1 ZINC000544677285 541807238 /nfs/dbraw/zinc/80/72/38/541807238.db2.gz GDWZYWWLRLEYIW-UHFFFAOYSA-N 0 2 366.355 1.589 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000283698783 182253411 /nfs/dbraw/zinc/25/34/11/182253411.db2.gz RYMRAMVBGZQGPU-ABAIWWIYSA-N 0 2 350.371 1.598 20 5 FDBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296827431 184204681 /nfs/dbraw/zinc/20/46/81/184204681.db2.gz DFRLKCQBYAZAIZ-UHFFFAOYSA-N 0 2 364.308 1.936 20 5 FDBDLN NC(=O)c1cn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc12 ZINC000548518817 542688307 /nfs/dbraw/zinc/68/83/07/542688307.db2.gz QXAHMUJGLLEWJJ-UHFFFAOYSA-N 0 2 354.322 1.993 20 5 FDBDLN O=c1[nH]nc(C2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000549946533 542974672 /nfs/dbraw/zinc/97/46/72/542974672.db2.gz IXRYRKBQCAMCQK-UHFFFAOYSA-N 0 2 367.387 1.128 20 5 FDBDLN Cc1cc(C)nc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000552415333 543463840 /nfs/dbraw/zinc/46/38/40/543463840.db2.gz CXFYRJXYHABOKR-UHFFFAOYSA-N 0 2 357.370 1.670 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000184625505 258382786 /nfs/dbraw/zinc/38/27/86/258382786.db2.gz XMUCLMDEYSFIKL-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN COc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000553597131 543666007 /nfs/dbraw/zinc/66/60/07/543666007.db2.gz SQIDTAKVOBVIPS-UHFFFAOYSA-N 0 2 366.351 1.965 20 5 FDBDLN Cn1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2(CO)CCC2)cn1 ZINC000557008647 544233560 /nfs/dbraw/zinc/23/35/60/544233560.db2.gz XYSKCWNAXZKESW-HNNXBMFYSA-N 0 2 360.370 1.668 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)NO[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000299722411 259019273 /nfs/dbraw/zinc/01/92/73/259019273.db2.gz XGIHWQHEKSPJAI-CYBMUJFWSA-N 0 2 355.372 1.360 20 5 FDBDLN CCC1(CC)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCS1(=O)=O ZINC000330604605 259152934 /nfs/dbraw/zinc/15/29/34/259152934.db2.gz LJRNDTUIKFGTOY-UHFFFAOYSA-N 0 2 356.400 1.730 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000368373155 260173693 /nfs/dbraw/zinc/17/36/93/260173693.db2.gz BGZOMZUAMHMZAX-CYBMUJFWSA-N 0 2 365.411 1.480 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CC(Oc3ccc([N+](=O)[O-])cc3)C1)c2=O ZINC000373733495 261035776 /nfs/dbraw/zinc/03/57/76/261035776.db2.gz LYQGLCSXILBTKA-UHFFFAOYSA-N 0 2 369.337 1.486 20 5 FDBDLN O=C(N[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375623687 261384465 /nfs/dbraw/zinc/38/44/65/261384465.db2.gz KVKLCQXMVGPBDX-ZDUSSCGKSA-N 0 2 355.350 1.831 20 5 FDBDLN NC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000375628356 261385205 /nfs/dbraw/zinc/38/52/05/261385205.db2.gz CJLOSGCRMBWMMR-VIFPVBQESA-N 0 2 359.342 1.142 20 5 FDBDLN CC(C)(C)S(=O)(=O)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000271060362 674303745 /nfs/dbraw/zinc/30/37/45/674303745.db2.gz FYMHPULKPRIOKU-UHFFFAOYSA-N 0 2 367.387 1.532 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000029834941 519325065 /nfs/dbraw/zinc/32/50/65/519325065.db2.gz JTVYIJOEVAUIOK-UHFFFAOYSA-N 0 2 365.323 1.839 20 5 FDBDLN O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000031937961 519469973 /nfs/dbraw/zinc/46/99/73/519469973.db2.gz HOMPUGMHSGIHEK-MRXNPFEDSA-N 0 2 367.427 1.238 20 5 FDBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000060336775 522360080 /nfs/dbraw/zinc/36/00/80/522360080.db2.gz RSMGYCTYVWHCCH-UHFFFAOYSA-N 0 2 354.344 1.378 20 5 FDBDLN Cc1nnnn1-c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C ZINC000110817618 524141728 /nfs/dbraw/zinc/14/17/28/524141728.db2.gz BCJTWUHNRRAAKW-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000138627675 524261315 /nfs/dbraw/zinc/26/13/15/524261315.db2.gz CFVLETGAHUPRCT-UHFFFAOYSA-N 0 2 354.344 1.080 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1[N+](=O)[O-] ZINC000183891403 536062657 /nfs/dbraw/zinc/06/26/57/536062657.db2.gz ZHNRILJBEGPWPI-UHFFFAOYSA-N 0 2 364.339 1.544 20 5 FDBDLN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000184885286 536189737 /nfs/dbraw/zinc/18/97/37/536189737.db2.gz PACPRQWPPYIXIG-LBPRGKRZSA-N 0 2 358.354 1.912 20 5 FDBDLN Cn1ccnc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000366844086 537871571 /nfs/dbraw/zinc/87/15/71/537871571.db2.gz PTXYPRJUPGNIKY-UHFFFAOYSA-N 0 2 366.384 1.648 20 5 FDBDLN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412323191 537968423 /nfs/dbraw/zinc/96/84/23/537968423.db2.gz HOBUALDRVUZEBV-SECBINFHSA-N 0 2 356.342 1.920 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)CCOCC2CC2)c(C)c([N+](=O)[O-])c1 ZINC000424072692 538230247 /nfs/dbraw/zinc/23/02/47/538230247.db2.gz YRBDEKLCLGBLAH-UHFFFAOYSA-N 0 2 372.399 1.858 20 5 FDBDLN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000446962758 538335140 /nfs/dbraw/zinc/33/51/40/538335140.db2.gz PFAGDENJMYQDTR-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000494551843 538556190 /nfs/dbraw/zinc/55/61/90/538556190.db2.gz GDVWXLDRFMCUEN-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC(F)(F)CO ZINC000466567905 538556465 /nfs/dbraw/zinc/55/64/65/538556465.db2.gz RDMOEJGEURWBBK-UHFFFAOYSA-N 0 2 365.141 1.808 20 5 FDBDLN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483442859 538701477 /nfs/dbraw/zinc/70/14/77/538701477.db2.gz BJJZZSHIKNUXSN-VXGBXAGGSA-N 0 2 361.354 1.804 20 5 FDBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])n[nH]1 ZINC000569781104 549043516 /nfs/dbraw/zinc/04/35/16/549043516.db2.gz WTSGIVPPVJFXTN-DTWKUNHWSA-N 0 2 354.392 1.661 20 5 FDBDLN COC(=O)c1ccc(OCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000573467906 550145806 /nfs/dbraw/zinc/14/58/06/550145806.db2.gz DWAOIZFVIHCFFU-UHFFFAOYSA-N 0 2 360.322 1.896 20 5 FDBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000579422307 550871411 /nfs/dbraw/zinc/87/14/11/550871411.db2.gz XJUVMOMACBQHJA-UHFFFAOYSA-N 0 2 368.371 1.960 20 5 FDBDLN CCOc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000583996701 551432416 /nfs/dbraw/zinc/43/24/16/551432416.db2.gz ZDSMHGALRNBTSW-LLVKDONJSA-N 0 2 361.358 1.837 20 5 FDBDLN O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000588842807 551692221 /nfs/dbraw/zinc/69/22/21/551692221.db2.gz DNYZYFURFBGSNK-NSHDSACASA-N 0 2 361.358 1.325 20 5 FDBDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000594381009 552299311 /nfs/dbraw/zinc/29/93/11/552299311.db2.gz YSCVVAGUNDROHT-NSHDSACASA-N 0 2 352.265 1.312 20 5 FDBDLN CCc1ccc([C@H](COC)NS(=O)(=O)c2ncccc2[N+](=O)[O-])o1 ZINC000594756936 552372572 /nfs/dbraw/zinc/37/25/72/552372572.db2.gz DWWZINZLBDXDOE-NSHDSACASA-N 0 2 355.372 1.811 20 5 FDBDLN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000597609654 552811506 /nfs/dbraw/zinc/81/15/06/552811506.db2.gz JELGWQHEBYTJKP-QMMMGPOBSA-N 0 2 368.296 1.910 20 5 FDBDLN O=C(NCc1nc(CN2CCCCC2)no1)c1cccc(O)c1[N+](=O)[O-] ZINC000597621091 552813016 /nfs/dbraw/zinc/81/30/16/552813016.db2.gz GGUKNMZOSNWGQO-UHFFFAOYSA-N 0 2 361.358 1.599 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598710374 552927496 /nfs/dbraw/zinc/92/74/96/552927496.db2.gz BIFOEDZEAFTOAH-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN CC(C)[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000599235486 552996627 /nfs/dbraw/zinc/99/66/27/552996627.db2.gz OMQBUTWHRDETHY-JTQLQIEISA-N 0 2 370.391 1.264 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H](C(F)F)C2CCCCC2)n1 ZINC000599356276 553035393 /nfs/dbraw/zinc/03/53/93/553035393.db2.gz KTSYGSAXQZIDMA-SNVBAGLBSA-N 0 2 352.363 1.821 20 5 FDBDLN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000600299819 553245918 /nfs/dbraw/zinc/24/59/18/553245918.db2.gz AHWLZEJOQZOPBC-UHFFFAOYSA-N 0 2 374.340 1.987 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602201243 553538438 /nfs/dbraw/zinc/53/84/38/553538438.db2.gz WAVJKSXKZNWEKJ-UHFFFAOYSA-N 0 2 356.382 1.696 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccnn2C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608926895 554329793 /nfs/dbraw/zinc/32/97/93/554329793.db2.gz MWDDCICXOBQDLS-UHFFFAOYSA-N 0 2 362.371 1.623 20 5 FDBDLN O=C(Cn1cnc([N+](=O)[O-])n1)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000609506698 554385290 /nfs/dbraw/zinc/38/52/90/554385290.db2.gz RLWRBOZFQRHLNX-UHFFFAOYSA-N 0 2 365.762 1.419 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(C)c2)cc([N+](=O)[O-])c1C ZINC000609700515 554412966 /nfs/dbraw/zinc/41/29/66/554412966.db2.gz QINBQWAMNOHAIR-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN COC(=O)CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000609922029 554438444 /nfs/dbraw/zinc/43/84/44/554438444.db2.gz JKISYFDGECUWKS-UHFFFAOYSA-N 0 2 352.328 1.510 20 5 FDBDLN Cc1nc(C2(NS(=O)(=O)c3cccnc3[N+](=O)[O-])CCCCC2)no1 ZINC000610260448 554482720 /nfs/dbraw/zinc/48/27/20/554482720.db2.gz QXPGEJWXVMJDKI-UHFFFAOYSA-N 0 2 367.387 1.819 20 5 FDBDLN CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000610453415 554510148 /nfs/dbraw/zinc/51/01/48/554510148.db2.gz FWJQTNLWHQXSOR-ZDUSSCGKSA-N 0 2 352.343 1.483 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000613978690 554992354 /nfs/dbraw/zinc/99/23/54/554992354.db2.gz YURXCBQASZEHFS-CYBMUJFWSA-N 0 2 352.343 1.483 20 5 FDBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000618955894 555701640 /nfs/dbraw/zinc/70/16/40/555701640.db2.gz PCUNPJBYNHRMDR-UHFFFAOYSA-N 0 2 353.312 1.283 20 5 FDBDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000481844047 568159240 /nfs/dbraw/zinc/15/92/40/568159240.db2.gz SIVZIIKXTPEERI-UHFFFAOYSA-N 0 2 350.356 1.492 20 5 FDBDLN COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436640561 568194468 /nfs/dbraw/zinc/19/44/68/568194468.db2.gz XISHKPZTKQNJKS-UHFFFAOYSA-N 0 2 373.321 1.456 20 5 FDBDLN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436640515 568203884 /nfs/dbraw/zinc/20/38/84/568203884.db2.gz IWAUIGFJSNGUFH-JTQLQIEISA-N 0 2 359.313 1.975 20 5 FDBDLN C[C@H]([C@H](C)NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000736653169 599775313 /nfs/dbraw/zinc/77/53/13/599775313.db2.gz TZVQNAPVPZLCBV-WDEREUQCSA-N 0 2 351.359 1.132 20 5 FDBDLN CCOC(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829852630 602319888 /nfs/dbraw/zinc/31/98/88/602319888.db2.gz HPDJHYGGAXEXOX-UHFFFAOYSA-N 0 2 365.386 1.677 20 5 FDBDLN CCOC(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000829852630 602319890 /nfs/dbraw/zinc/31/98/90/602319890.db2.gz HPDJHYGGAXEXOX-UHFFFAOYSA-N 0 2 365.386 1.677 20 5 FDBDLN CN(C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000739656562 602484049 /nfs/dbraw/zinc/48/40/49/602484049.db2.gz NGUZVGDSYJKUHK-GFCCVEGCSA-N 0 2 373.369 1.852 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918213 602761540 /nfs/dbraw/zinc/76/15/40/602761540.db2.gz CVURCARBHQIIOT-PWSUYJOCSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918213 602761542 /nfs/dbraw/zinc/76/15/42/602761542.db2.gz CVURCARBHQIIOT-PWSUYJOCSA-N 0 2 366.374 1.520 20 5 FDBDLN CN(C[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739636881 602859142 /nfs/dbraw/zinc/85/91/42/602859142.db2.gz MKQFAOIBILIHJI-NSHDSACASA-N 0 2 364.358 1.782 20 5 FDBDLN CN(C[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739636881 602859145 /nfs/dbraw/zinc/85/91/45/602859145.db2.gz MKQFAOIBILIHJI-NSHDSACASA-N 0 2 364.358 1.782 20 5 FDBDLN CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273170256 674514232 /nfs/dbraw/zinc/51/42/32/674514232.db2.gz DVUPXSQLVKNLAM-GFCCVEGCSA-N 0 2 353.400 1.588 20 5 FDBDLN CC(C)N1C(=S)N=NC1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273234188 674519341 /nfs/dbraw/zinc/51/93/41/674519341.db2.gz RXWCXVXCDPWALE-UHFFFAOYSA-N 0 2 351.388 1.734 20 5 FDBDLN CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000827870692 603501748 /nfs/dbraw/zinc/50/17/48/603501748.db2.gz DWXRERKVGOGOLQ-GFCCVEGCSA-N 0 2 359.342 1.605 20 5 FDBDLN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273297580 674525841 /nfs/dbraw/zinc/52/58/41/674525841.db2.gz ZDIWWYQMZYQGKO-LBPRGKRZSA-N 0 2 353.400 1.682 20 5 FDBDLN O=C([O-])N1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000739388813 605709714 /nfs/dbraw/zinc/70/97/14/605709714.db2.gz SVNMCKCYMFZTKM-LBPRGKRZSA-N 0 2 359.342 1.653 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(C)C)o1 ZINC000278453265 675139641 /nfs/dbraw/zinc/13/96/41/675139641.db2.gz YEXVMWMODCBOTF-UHFFFAOYSA-N 0 2 356.360 1.986 20 5 FDBDLN O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000371750682 677773070 /nfs/dbraw/zinc/77/30/70/677773070.db2.gz KDOCLTVOUZTFFM-DZGCQCFKSA-N 0 2 365.411 1.025 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000430057084 681061293 /nfs/dbraw/zinc/06/12/93/681061293.db2.gz WHLWTKUVYMXOFV-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000430055802 681061403 /nfs/dbraw/zinc/06/14/03/681061403.db2.gz ZKRRJNNWAXFTNS-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000436825021 681733632 /nfs/dbraw/zinc/73/36/32/681733632.db2.gz BYODROZIXSNVPC-UHFFFAOYSA-N 0 2 369.330 1.600 20 5 FDBDLN O=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1O)NC1CCCCC1 ZINC000436886098 681741385 /nfs/dbraw/zinc/74/13/85/681741385.db2.gz KFBXWYBNEYVFHW-UHFFFAOYSA-N 0 2 350.375 1.662 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000451110416 682821267 /nfs/dbraw/zinc/82/12/67/682821267.db2.gz YTNKQGPQNBWWAH-UHFFFAOYSA-N 0 2 351.388 1.886 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1C ZINC000467330798 684855671 /nfs/dbraw/zinc/85/56/71/684855671.db2.gz QILHRHYWRUSIBN-UHFFFAOYSA-N 0 2 353.356 1.911 20 5 FDBDLN CCc1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cn1 ZINC000468379300 684902452 /nfs/dbraw/zinc/90/24/52/684902452.db2.gz LBVLWIXIDHGVMY-UHFFFAOYSA-N 0 2 366.355 1.535 20 5 FDBDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475840705 685654422 /nfs/dbraw/zinc/65/44/22/685654422.db2.gz VDASMQWBRGGSJL-UHFFFAOYSA-N 0 2 374.371 1.938 20 5 FDBDLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1O ZINC000480728376 686215145 /nfs/dbraw/zinc/21/51/45/686215145.db2.gz MAFNUEJVKXRIAS-UHFFFAOYSA-N 0 2 367.339 1.765 20 5 FDBDLN CCN1C(=O)N=NC1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376878170 790797658 /nfs/dbraw/zinc/79/76/58/790797658.db2.gz YRLYCNPTKKNMMB-UHFFFAOYSA-N 0 2 361.358 1.637 20 5 FDBDLN CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874965 816770165 /nfs/dbraw/zinc/77/01/65/816770165.db2.gz BKJAUDVOFCWECC-CQSZACIVSA-N 0 2 359.338 1.600 20 5 FDBDLN O=C(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)NCCO ZINC000436988546 816835772 /nfs/dbraw/zinc/83/57/72/816835772.db2.gz KLAMEGUFWFRZMM-UHFFFAOYSA-N 0 2 359.338 1.204 20 5 FDBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1-n1cnnn1 ZINC000436990749 816836581 /nfs/dbraw/zinc/83/65/81/816836581.db2.gz PRELHSXOMHKNJV-UHFFFAOYSA-N 0 2 356.298 1.537 20 5 FDBDLN CCNC(=O)COc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507167451 818650580 /nfs/dbraw/zinc/65/05/80/818650580.db2.gz LVFJYZPTKZPQCT-UHFFFAOYSA-N 0 2 373.365 1.745 20 5 FDBDLN CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840355950 823905554 /nfs/dbraw/zinc/90/55/54/823905554.db2.gz VEVOPWMPWJHUET-AAVRWANBSA-N 0 2 362.342 1.308 20 5 FDBDLN Cn1c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1[N+](=O)[O-] ZINC000474591093 824089245 /nfs/dbraw/zinc/08/92/45/824089245.db2.gz DZBLKRSAANEOIS-UHFFFAOYSA-N 0 2 356.342 1.560 20 5 FDBDLN Cc1nn(C)c(Cl)c1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431719 827813286 /nfs/dbraw/zinc/81/32/86/827813286.db2.gz SJLZQQQOXUHELO-TZMCWYRMSA-N 0 2 369.853 1.470 20 5 FDBDLN O=C([O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000262739012 831177899 /nfs/dbraw/zinc/17/78/99/831177899.db2.gz HZIKSQJVBNBUIF-IUODEOHRSA-N 0 2 374.353 1.390 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)cc1 ZINC000916102784 881364032 /nfs/dbraw/zinc/36/40/32/881364032.db2.gz NIXJSJUFSUDQLP-UHFFFAOYSA-N 0 2 366.252 1.852 20 5 FDBDLN COc1ccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)nc1 ZINC000457027747 867254181 /nfs/dbraw/zinc/25/41/81/867254181.db2.gz PUKLAXNCTQKPPX-UHFFFAOYSA-N 0 2 358.354 1.666 20 5 FDBDLN CC(C)c1nc(CN2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC001005377343 883152041 /nfs/dbraw/zinc/15/20/41/883152041.db2.gz BZJFPYZLSLKNKO-CHWSQXEVSA-N 0 2 350.423 1.016 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc([C@@H](C)OC)ns1 ZINC000788216322 932605814 /nfs/dbraw/zinc/60/58/14/932605814.db2.gz IAXGHITWSUNNMB-SSDOTTSWSA-N 0 2 374.400 1.963 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)Br)s1 ZINC000808572903 940557239 /nfs/dbraw/zinc/55/72/39/940557239.db2.gz IIRVKKGTXXBKIU-UHFFFAOYSA-N 0 2 351.150 1.922 20 5 FDBDLN COc1cc(C)[nH]c(=NNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC000747616177 941025013 /nfs/dbraw/zinc/02/50/13/941025013.db2.gz AYCVJRFZQRSCTE-UHFFFAOYSA-N 0 2 357.323 1.146 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000811828578 941166693 /nfs/dbraw/zinc/16/66/93/941166693.db2.gz GWGIMXXPFNKFQE-UHFFFAOYSA-N 0 2 371.758 1.653 20 5 FDBDLN O=c1[nH]nc(C2CCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000815097557 941783338 /nfs/dbraw/zinc/78/33/38/941783338.db2.gz IKSARVCNRSCQOT-UHFFFAOYSA-N 0 2 359.389 1.048 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000773060418 954896710 /nfs/dbraw/zinc/89/67/10/954896710.db2.gz YNPLIRAJHDWAEX-JTQLQIEISA-N 0 2 373.325 1.930 20 5 FDBDLN CCOC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC001178169865 964145454 /nfs/dbraw/zinc/14/54/54/964145454.db2.gz PSOMHQLIGVZSJS-SNVBAGLBSA-N 0 2 374.353 1.718 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@H]1CC1CCOCC1 ZINC001180015300 965075118 /nfs/dbraw/zinc/07/51/18/965075118.db2.gz GOCBMOMDIYBPNQ-CQSZACIVSA-N 0 2 350.371 1.958 20 5 FDBDLN O=C(CCc1nc(-c2ncccn2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000371135719 990272205 /nfs/dbraw/zinc/27/22/05/990272205.db2.gz FANIGMIHUJOVPQ-UHFFFAOYSA-N 0 2 356.298 1.712 20 5 FDBDLN CN(C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCOCC1 ZINC001598072711 990372046 /nfs/dbraw/zinc/37/20/46/990372046.db2.gz FCPAUENDBXGKSP-UHFFFAOYSA-N 0 2 365.386 1.476 20 5 FDBDLN CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598636090 994251807 /nfs/dbraw/zinc/25/18/07/994251807.db2.gz QXHCMBZCNDXKSV-GFCCVEGCSA-N 0 2 351.359 1.159 20 5 FDBDLN CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598636090 994251820 /nfs/dbraw/zinc/25/18/20/994251820.db2.gz QXHCMBZCNDXKSV-GFCCVEGCSA-N 0 2 351.359 1.159 20 5 FDBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000826500682 996815212 /nfs/dbraw/zinc/81/52/12/996815212.db2.gz HYFHGPMMMKZGGH-UHFFFAOYSA-N 0 2 360.355 1.717 20 5 FDBDLN CS(=O)(=O)Cc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000509087453 538941645 /nfs/dbraw/zinc/94/16/45/538941645.db2.gz YYUSLFNZGIPQDU-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000513491684 538998717 /nfs/dbraw/zinc/99/87/17/538998717.db2.gz VMNADTKMAKUBJK-UHFFFAOYSA-N 0 2 356.298 1.537 20 5 FDBDLN CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000274891818 181187608 /nfs/dbraw/zinc/18/76/08/181187608.db2.gz CCPPOKBTRAHCFF-CYBMUJFWSA-N 0 2 367.358 1.875 20 5 FDBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(-c2nc[nH]n2)no1 ZINC000275035772 181222037 /nfs/dbraw/zinc/22/20/37/181222037.db2.gz JBURGKLVGCXGNB-NSHDSACASA-N 0 2 373.329 1.596 20 5 FDBDLN C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534067489 540320582 /nfs/dbraw/zinc/32/05/82/540320582.db2.gz BQHINFZUZDYPNL-QMMMGPOBSA-N 0 2 371.396 1.667 20 5 FDBDLN CS(=O)(=O)Nc1cncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000536195690 540564805 /nfs/dbraw/zinc/56/48/05/540564805.db2.gz BFNVNXRQRYXRJL-UHFFFAOYSA-N 0 2 352.328 1.319 20 5 FDBDLN CNC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1C ZINC000537651337 540756595 /nfs/dbraw/zinc/75/65/95/540756595.db2.gz ROJOPYQBOWMKSM-UHFFFAOYSA-N 0 2 368.371 1.102 20 5 FDBDLN Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000538870465 540902622 /nfs/dbraw/zinc/90/26/22/540902622.db2.gz HLLSAOSMUVDUEH-UHFFFAOYSA-N 0 2 357.369 1.570 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000539852813 541000050 /nfs/dbraw/zinc/00/00/50/541000050.db2.gz UAKSGTFTJYXRKF-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cccc(N(C)C)n2)ccc1[N+](=O)[O-] ZINC000541935339 541302642 /nfs/dbraw/zinc/30/26/42/541302642.db2.gz PLMZACALFFSURZ-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN CCO[C@H]1C[C@](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)(C(=O)OC)C1(C)C ZINC000275695715 181389996 /nfs/dbraw/zinc/38/99/96/181389996.db2.gz UOXCQQNBWYRIJT-GUYCJALGSA-N 0 2 366.370 1.777 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ncc(C(N)=O)s2)c1 ZINC000543644661 541627666 /nfs/dbraw/zinc/62/76/66/541627666.db2.gz QBCXEPUCZZYYMD-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN COC(=O)c1cccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1C ZINC000544405228 541765677 /nfs/dbraw/zinc/76/56/77/541765677.db2.gz XQOTXEGDSJHFEF-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN CCOCCOC1CN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000276784648 181657324 /nfs/dbraw/zinc/65/73/24/181657324.db2.gz IPXPOCUIKAGMMS-UHFFFAOYSA-N 0 2 358.416 1.638 20 5 FDBDLN CN(C)S(=O)(=O)CCNC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000291616386 183800797 /nfs/dbraw/zinc/80/07/97/183800797.db2.gz HUWQZLYQKSGNMO-GQCTYLIASA-N 0 2 361.807 1.269 20 5 FDBDLN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCC(F)(F)CO)c1Cl ZINC000295140940 184037479 /nfs/dbraw/zinc/03/74/79/184037479.db2.gz MGWQUMXJMRSOSH-UHFFFAOYSA-N 0 2 365.141 1.808 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2noc(-c3cccs3)n2)c([N+](=O)[O-])n1 ZINC000548474276 542678565 /nfs/dbraw/zinc/67/85/65/542678565.db2.gz LGJRIIWNKQLYPR-UHFFFAOYSA-N 0 2 370.372 1.724 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c([N+](=O)[O-])n1 ZINC000549550578 542897933 /nfs/dbraw/zinc/89/79/33/542897933.db2.gz JJXSEJFRXBEGBK-UHFFFAOYSA-N 0 2 363.302 1.608 20 5 FDBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000551383149 543278387 /nfs/dbraw/zinc/27/83/87/543278387.db2.gz BGMRKHBEMFMWIN-UHFFFAOYSA-N 0 2 370.387 1.821 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552094299 543417456 /nfs/dbraw/zinc/41/74/56/543417456.db2.gz VCGDRFGJLKECGW-GFCCVEGCSA-N 0 2 350.302 1.609 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000367523361 260054613 /nfs/dbraw/zinc/05/46/13/260054613.db2.gz BQCUDQQNORAUER-ZDUSSCGKSA-N 0 2 365.411 1.480 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)c2ccncc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367600745 260066944 /nfs/dbraw/zinc/06/69/44/260066944.db2.gz ZQJBVLTUQCJODA-LBPRGKRZSA-N 0 2 356.338 1.340 20 5 FDBDLN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367755139 260086266 /nfs/dbraw/zinc/08/62/66/260086266.db2.gz NUAUQDYFUOXZTA-CMPLNLGQSA-N 0 2 352.343 1.483 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373570547 261021077 /nfs/dbraw/zinc/02/10/77/261021077.db2.gz ZROCIXYTBOWRIV-LLVKDONJSA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000029673364 519309089 /nfs/dbraw/zinc/30/90/89/519309089.db2.gz HMNPKZWZYDUKBX-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000032143682 519484197 /nfs/dbraw/zinc/48/41/97/519484197.db2.gz GQEHQWGVTRKWQM-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cn1 ZINC000066579213 523117995 /nfs/dbraw/zinc/11/79/95/523117995.db2.gz YMWRWCZUSNHZAS-UHFFFAOYSA-N 0 2 355.376 1.016 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000077956583 523505005 /nfs/dbraw/zinc/50/50/05/523505005.db2.gz KSHFWHBBMGZIRD-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN Cc1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])cc1C(N)=O ZINC000156961450 524182335 /nfs/dbraw/zinc/18/23/35/524182335.db2.gz OMSBHDAAULFOQS-UHFFFAOYSA-N 0 2 363.395 1.987 20 5 FDBDLN O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1O ZINC000157981611 524379238 /nfs/dbraw/zinc/37/92/38/524379238.db2.gz PEIBAGBNLCQDEM-UHFFFAOYSA-N 0 2 371.275 1.951 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)c1C ZINC000161550961 525127236 /nfs/dbraw/zinc/12/72/36/525127236.db2.gz MDTRBDFOUQHKOQ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000117982141 525418346 /nfs/dbraw/zinc/41/83/46/525418346.db2.gz GRRTUNJEXQJUGB-CQSZACIVSA-N 0 2 359.338 1.814 20 5 FDBDLN COCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n(C)n1 ZINC000129639484 525678243 /nfs/dbraw/zinc/67/82/43/525678243.db2.gz UOPHSDNKZCVAOP-UHFFFAOYSA-N 0 2 354.388 1.626 20 5 FDBDLN O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1nc(=O)c2sccc2[nH]1 ZINC000130605110 525774738 /nfs/dbraw/zinc/77/47/38/525774738.db2.gz KQGCAZTYDFEPTB-UHFFFAOYSA-N 0 2 371.334 1.758 20 5 FDBDLN Cc1nsc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000184828882 536186515 /nfs/dbraw/zinc/18/65/15/536186515.db2.gz KXWNTHVSWPBJDL-UHFFFAOYSA-N 0 2 363.399 1.813 20 5 FDBDLN CCC1(CC)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000185222468 536202757 /nfs/dbraw/zinc/20/27/57/536202757.db2.gz RBPCSWRFOVXRPO-HWRSSNJWSA-N 0 2 370.471 1.958 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000293819689 537598681 /nfs/dbraw/zinc/59/86/81/537598681.db2.gz AWWUVXWAAAAKFF-MRXNPFEDSA-N 0 2 369.377 1.874 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)n(C)n2)cc1[N+](=O)[O-] ZINC000292498484 537741214 /nfs/dbraw/zinc/74/12/14/537741214.db2.gz OVEOMVVFABAPHQ-UHFFFAOYSA-N 0 2 370.347 1.011 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c(C)cc1[N+](=O)[O-] ZINC000414451518 537809580 /nfs/dbraw/zinc/80/95/80/537809580.db2.gz KERCCUIVJUEMAK-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN O=C(N[C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000462758950 538657740 /nfs/dbraw/zinc/65/77/40/538657740.db2.gz BRKPUJAPBLXLIB-LLVKDONJSA-N 0 2 359.313 1.975 20 5 FDBDLN CCc1nc(CN2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)no1 ZINC000469659279 538810200 /nfs/dbraw/zinc/81/02/00/538810200.db2.gz DPFXCQFGRSQTTQ-UHFFFAOYSA-N 0 2 361.358 1.204 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])oc1C ZINC000568440154 548537860 /nfs/dbraw/zinc/53/78/60/548537860.db2.gz NKSLMJAIROQKQS-UHFFFAOYSA-N 0 2 373.347 1.085 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1 ZINC000574058603 550253607 /nfs/dbraw/zinc/25/36/07/550253607.db2.gz LNJYQXCZLKAKKQ-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578630342 550784736 /nfs/dbraw/zinc/78/47/36/550784736.db2.gz YLZXRRKLVRJSOZ-PHIMTYICSA-N 0 2 355.778 1.547 20 5 FDBDLN O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000578630342 550784738 /nfs/dbraw/zinc/78/47/38/550784738.db2.gz YLZXRRKLVRJSOZ-PHIMTYICSA-N 0 2 355.778 1.547 20 5 FDBDLN O=C(Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590364562 551776271 /nfs/dbraw/zinc/77/62/71/551776271.db2.gz IAFHKNPVWBTCHN-UHFFFAOYSA-N 0 2 357.282 1.545 20 5 FDBDLN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000592795941 552029589 /nfs/dbraw/zinc/02/95/89/552029589.db2.gz ALPVYWYHPFWMLZ-UHFFFAOYSA-N 0 2 370.369 1.779 20 5 FDBDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000592901229 552040853 /nfs/dbraw/zinc/04/08/53/552040853.db2.gz KCSDMIIFXUYKBG-ZDUSSCGKSA-N 0 2 361.276 1.441 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594696197 552356769 /nfs/dbraw/zinc/35/67/69/552356769.db2.gz LHBDKQWYESVYRW-HZMBPMFUSA-N 0 2 360.388 1.397 20 5 FDBDLN CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000598046781 552860533 /nfs/dbraw/zinc/86/05/33/552860533.db2.gz HMDZFXDWCINXDA-JTQLQIEISA-N 0 2 350.249 1.914 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cc(N(C)C)ncn2)c(C)c1[N+](=O)[O-] ZINC000598734806 552928999 /nfs/dbraw/zinc/92/89/99/552928999.db2.gz OXKNXHRFHGUJHU-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN CC(C)(C)n1cnc(=NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)[nH]1 ZINC000599750810 553137670 /nfs/dbraw/zinc/13/76/70/553137670.db2.gz HOYFIFAZKKUMOQ-UHFFFAOYSA-N 0 2 373.348 2.518 20 5 FDBDLN CC(C)CCc1nnc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])s1 ZINC000600667682 553296804 /nfs/dbraw/zinc/29/68/04/553296804.db2.gz DEFGWYJHJKJCAJ-UHFFFAOYSA-N 0 2 360.421 1.569 20 5 FDBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602197551 553537644 /nfs/dbraw/zinc/53/76/44/553537644.db2.gz GLEURJLWTVLPOZ-UHFFFAOYSA-N 0 2 356.382 1.696 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000610034597 554451782 /nfs/dbraw/zinc/45/17/82/554451782.db2.gz SAUUCHFWEZXXTM-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN NS(=O)(=O)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000610578996 554533405 /nfs/dbraw/zinc/53/34/05/554533405.db2.gz OVHFVTJDRKOODJ-UHFFFAOYSA-N 0 2 365.367 1.519 20 5 FDBDLN NC(=O)c1cc(=NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])[nH][nH]1 ZINC000612305193 554760688 /nfs/dbraw/zinc/76/06/88/554760688.db2.gz OLLXIYDSIOVSQW-UHFFFAOYSA-N 0 2 355.763 1.801 20 5 FDBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000616344129 555294108 /nfs/dbraw/zinc/29/41/08/555294108.db2.gz XAJDRBYDZKNHJL-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN O=C(NCCNS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000521404661 567838974 /nfs/dbraw/zinc/83/89/74/567838974.db2.gz VRMDQKOZNZYKBD-UHFFFAOYSA-N 0 2 365.367 1.009 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436629245 568104152 /nfs/dbraw/zinc/10/41/52/568104152.db2.gz ITUPVMQTEVFZIK-MFKMUULPSA-N 0 2 371.415 1.138 20 5 FDBDLN Cc1nc(Cn2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2C)no1 ZINC000436708776 568395259 /nfs/dbraw/zinc/39/52/59/568395259.db2.gz LDSYTOOQIPAMSV-UHFFFAOYSA-N 0 2 359.302 1.192 20 5 FDBDLN Cc1cn(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738330958 600714782 /nfs/dbraw/zinc/71/47/82/600714782.db2.gz LQFSJEUGUFQKRI-ZDUSSCGKSA-N 0 2 360.370 1.610 20 5 FDBDLN Cc1cn(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738330958 600714785 /nfs/dbraw/zinc/71/47/85/600714785.db2.gz LQFSJEUGUFQKRI-ZDUSSCGKSA-N 0 2 360.370 1.610 20 5 FDBDLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000739370645 601123102 /nfs/dbraw/zinc/12/31/02/601123102.db2.gz FFLHJZHVBACWQT-HNNXBMFYSA-N 0 2 367.321 1.731 20 5 FDBDLN Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1-c1nn[nH]n1 ZINC000826303801 607532726 /nfs/dbraw/zinc/53/27/26/607532726.db2.gz GEMACWIWFISSNI-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830137690 603578028 /nfs/dbraw/zinc/57/80/28/603578028.db2.gz FKBMQPLNXSFTFM-ZDUSSCGKSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830137690 603578029 /nfs/dbraw/zinc/57/80/29/603578029.db2.gz FKBMQPLNXSFTFM-ZDUSSCGKSA-N 0 2 350.375 1.916 20 5 FDBDLN C[C@@H](C[NH+]1CCN(C)CC1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827460871 604265524 /nfs/dbraw/zinc/26/55/24/604265524.db2.gz DXQJGABGLAQSTN-JTQLQIEISA-N 0 2 356.810 1.994 20 5 FDBDLN CCOc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827423667 604402241 /nfs/dbraw/zinc/40/22/41/604402241.db2.gz SFAMAMOBWFFDCU-LBPRGKRZSA-N 0 2 366.374 1.017 20 5 FDBDLN CCOc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827423667 604402243 /nfs/dbraw/zinc/40/22/43/604402243.db2.gz SFAMAMOBWFFDCU-LBPRGKRZSA-N 0 2 366.374 1.017 20 5 FDBDLN Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830382756 605741745 /nfs/dbraw/zinc/74/17/45/605741745.db2.gz UZDNEORTZFUNIQ-GFCCVEGCSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830382756 605741747 /nfs/dbraw/zinc/74/17/47/605741747.db2.gz UZDNEORTZFUNIQ-GFCCVEGCSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000833907287 605772328 /nfs/dbraw/zinc/77/23/28/605772328.db2.gz FUYWHZUPONDCHV-RYUDHWBXSA-N 0 2 350.375 1.962 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000833907287 605772330 /nfs/dbraw/zinc/77/23/30/605772330.db2.gz FUYWHZUPONDCHV-RYUDHWBXSA-N 0 2 350.375 1.962 20 5 FDBDLN CCc1nc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)no1 ZINC000275009463 674601098 /nfs/dbraw/zinc/60/10/98/674601098.db2.gz JDBJBQUVIQQIPP-UHFFFAOYSA-N 0 2 371.331 1.519 20 5 FDBDLN CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000134034246 671825347 /nfs/dbraw/zinc/82/53/47/671825347.db2.gz AEMCQLXFODGQTK-UHFFFAOYSA-N 0 2 357.779 1.905 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)C(F)(F)F ZINC000290713025 676225859 /nfs/dbraw/zinc/22/58/59/676225859.db2.gz MOKLOIIVXMXARU-VIFPVBQESA-N 0 2 358.269 1.385 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](F)C(F)(F)F ZINC000290713025 676225860 /nfs/dbraw/zinc/22/58/60/676225860.db2.gz MOKLOIIVXMXARU-VIFPVBQESA-N 0 2 358.269 1.385 20 5 FDBDLN CN1C(=O)CSC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000372228428 677873490 /nfs/dbraw/zinc/87/34/90/677873490.db2.gz SGZLRDHSRHMQLG-UHFFFAOYSA-N 0 2 351.384 1.438 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnccc1-n1ccnn1 ZINC000377566090 678562857 /nfs/dbraw/zinc/56/28/57/678562857.db2.gz SLQDCQYMHKNQIU-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000430053546 681061346 /nfs/dbraw/zinc/06/13/46/681061346.db2.gz MMQGEGMXRZUHSJ-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2nnc(C)o2)cc([N+](=O)[O-])c1C ZINC000451010795 682799544 /nfs/dbraw/zinc/79/95/44/682799544.db2.gz VTPJDTRVUYLMBC-UHFFFAOYSA-N 0 2 370.343 1.572 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000475825922 685650878 /nfs/dbraw/zinc/65/08/78/685650878.db2.gz HYXPTYXCLGQEGF-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000461110177 684563059 /nfs/dbraw/zinc/56/30/59/684563059.db2.gz GTBMXELUOKCMPN-UHFFFAOYSA-N 0 2 371.758 1.637 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1Cl ZINC000461118760 684563906 /nfs/dbraw/zinc/56/39/06/684563906.db2.gz OICXPYYFPZBEHB-UHFFFAOYSA-N 0 2 371.758 1.653 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc1 ZINC000479116753 685996260 /nfs/dbraw/zinc/99/62/60/685996260.db2.gz VQWPWVAYJBTYFJ-UHFFFAOYSA-N 0 2 366.355 1.159 20 5 FDBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N[C@H]1CCOc2ccccc21 ZINC000375811081 784983245 /nfs/dbraw/zinc/98/32/45/784983245.db2.gz WHMQNNORRPVUFU-AWEZNQCLSA-N 0 2 371.349 1.670 20 5 FDBDLN O=C(NCc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1O ZINC000436520303 816571615 /nfs/dbraw/zinc/57/16/15/816571615.db2.gz FFFWUAPQNRXOFY-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000450987067 830210479 /nfs/dbraw/zinc/21/04/79/830210479.db2.gz TVFOPTYWPVAUSC-CYBMUJFWSA-N 0 2 360.374 1.893 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2nncs2)c(C)c1[N+](=O)[O-] ZINC000790639306 933638612 /nfs/dbraw/zinc/63/86/12/933638612.db2.gz IEIOLGYYUMDJIT-UHFFFAOYSA-N 0 2 359.345 1.772 20 5 FDBDLN O=C(Nn1cnc2ccccc2c1=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000806271691 939874217 /nfs/dbraw/zinc/87/42/17/939874217.db2.gz JRRSDQSKYYWDAL-UHFFFAOYSA-N 0 2 350.294 1.565 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])ccc1O ZINC000807384519 940343170 /nfs/dbraw/zinc/34/31/70/940343170.db2.gz AUWPZVUHDDIHRV-UHFFFAOYSA-N 0 2 369.330 1.600 20 5 FDBDLN C[C@@H](COC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[N+](=O)[O-] ZINC000813109459 941334621 /nfs/dbraw/zinc/33/46/21/941334621.db2.gz TUELPMZNTIDVHS-QMMMGPOBSA-N 0 2 374.400 1.104 20 5 FDBDLN Cc1nc([C@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000815044645 941758574 /nfs/dbraw/zinc/75/85/74/941758574.db2.gz GXIALPVCWVBBFQ-YFKPBYRVSA-N 0 2 363.758 1.853 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000772968526 951930891 /nfs/dbraw/zinc/93/08/91/951930891.db2.gz JKPOSIRTFSONGK-SNVBAGLBSA-N 0 2 361.276 1.536 20 5 FDBDLN Cc1noc(COC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)c1[N+](=O)[O-] ZINC000853894616 968411546 /nfs/dbraw/zinc/41/15/46/968411546.db2.gz FVOMNQQDPOTTRV-UHFFFAOYSA-N 0 2 361.314 1.542 20 5 FDBDLN COC(=O)[C@](C)(NC(=O)C(F)(F)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000863300144 972774564 /nfs/dbraw/zinc/77/45/64/972774564.db2.gz FXEULLDOPBFBHD-GFCCVEGCSA-N 0 2 352.240 2.000 20 5 FDBDLN CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000776195634 975090392 /nfs/dbraw/zinc/09/03/92/975090392.db2.gz BYUZLBZQYAMCGM-UHFFFAOYSA-N 0 2 365.367 1.851 20 5 FDBDLN CCO/C=C\[C@@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000848180240 976437319 /nfs/dbraw/zinc/43/73/19/976437319.db2.gz WRHPDBJPJFJHOL-CFHLNLSMSA-N 0 2 364.276 1.874 20 5 FDBDLN Cc1cc(C[N@@H+]2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)no1 ZINC001118221709 982946432 /nfs/dbraw/zinc/94/64/32/982946432.db2.gz IQVSHXLEJMUSDZ-UHFFFAOYSA-N 0 2 361.358 1.697 20 5 FDBDLN Cc1cc(C[N@H+]2CCCN(c3ncc(C(=O)[O-])cc3[N+](=O)[O-])CC2)no1 ZINC001118221709 982946437 /nfs/dbraw/zinc/94/64/37/982946437.db2.gz IQVSHXLEJMUSDZ-UHFFFAOYSA-N 0 2 361.358 1.697 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCO1 ZINC000362319419 988632799 /nfs/dbraw/zinc/63/27/99/988632799.db2.gz QBYSLFLOOBVMDK-ZFWWWQNUSA-N 0 2 363.370 1.799 20 5 FDBDLN NC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CCO3)s1 ZINC000363022982 988837324 /nfs/dbraw/zinc/83/73/24/988837324.db2.gz XNBLZKRISNQRSR-QWRGUYRKSA-N 0 2 373.390 1.905 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)c1ccoc1 ZINC000364378861 989554409 /nfs/dbraw/zinc/55/44/09/989554409.db2.gz BRZBIUTVSCVVBK-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN O=C1OCCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000777665533 1001298075 /nfs/dbraw/zinc/29/80/75/1001298075.db2.gz IXRHJKDGUNAQCD-UHFFFAOYSA-N 0 2 370.368 1.809 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2C)cc1[N+](=O)[O-] ZINC000777668372 1001314680 /nfs/dbraw/zinc/31/46/80/1001314680.db2.gz WOZODQJPQJNFKC-UHFFFAOYSA-N 0 2 355.332 1.307 20 5 FDBDLN CN(C)C(=O)COc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507648573 538920957 /nfs/dbraw/zinc/92/09/57/538920957.db2.gz GWAXRKJUMXZGAB-UHFFFAOYSA-N 0 2 373.365 1.697 20 5 FDBDLN O=C(CC[N@@H+]1CCOC[C@@]12CCOC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000193669908 178175144 /nfs/dbraw/zinc/17/51/44/178175144.db2.gz BUGWWDVNGWIFJQ-INIZCTEOSA-N 0 2 353.350 1.554 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cn2)cc1 ZINC000522624880 539571993 /nfs/dbraw/zinc/57/19/93/539571993.db2.gz XHJAKPPMXJUAJX-UHFFFAOYSA-N 0 2 364.383 1.627 20 5 FDBDLN CNC(=O)[C@H](C)CN(C)C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000267215015 179790514 /nfs/dbraw/zinc/79/05/14/179790514.db2.gz MPAURDSUYOCTNY-SECBINFHSA-N 0 2 355.416 1.779 20 5 FDBDLN CC1(C)CN=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)S1 ZINC000274655696 181139566 /nfs/dbraw/zinc/13/95/66/181139566.db2.gz CNPAGCJVIPWMQO-UHFFFAOYSA-N 0 2 364.427 1.940 20 5 FDBDLN C[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C1CC1 ZINC000275133345 181247317 /nfs/dbraw/zinc/24/73/17/181247317.db2.gz IYDPGLJJPNEEJM-VIFPVBQESA-N 0 2 355.372 1.628 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000481050648 538871481 /nfs/dbraw/zinc/87/14/81/538871481.db2.gz CCFCDYOSQATIRV-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)nc2)cc1C ZINC000536666978 540638114 /nfs/dbraw/zinc/63/81/14/540638114.db2.gz TWKWYKVBEGSSKT-UHFFFAOYSA-N 0 2 350.356 1.506 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1C ZINC000537732622 540766895 /nfs/dbraw/zinc/76/68/95/540766895.db2.gz QOJGULUZNPSSLT-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000541287552 541180451 /nfs/dbraw/zinc/18/04/51/541180451.db2.gz XYVTVKMDHBTOGD-UHFFFAOYSA-N 0 2 355.376 1.751 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541991736 541315291 /nfs/dbraw/zinc/31/52/91/541315291.db2.gz QGXHBGYPOUWEOA-UHFFFAOYSA-N 0 2 357.273 1.383 20 5 FDBDLN O=C(CCn1nnc2ccccc2c1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000542519108 541419398 /nfs/dbraw/zinc/41/93/98/541419398.db2.gz QPFNNLQXUMVKIT-UHFFFAOYSA-N 0 2 355.310 1.434 20 5 FDBDLN CCc1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)cn1 ZINC000544095905 541712593 /nfs/dbraw/zinc/71/25/93/541712593.db2.gz DTTHYUKRLDUAGE-UHFFFAOYSA-N 0 2 366.355 1.535 20 5 FDBDLN COCCO[C@@H]1C[C@H](CO)CN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000296682467 184190045 /nfs/dbraw/zinc/19/00/45/184190045.db2.gz BLOPDNJABMZCPH-XJKSGUPXSA-N 0 2 361.398 1.993 20 5 FDBDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552115194 543420726 /nfs/dbraw/zinc/42/07/26/543420726.db2.gz QXXHVMOXJMUETL-SNVBAGLBSA-N 0 2 361.276 1.584 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278293248 258481946 /nfs/dbraw/zinc/48/19/46/258481946.db2.gz CWEIXCYUCHBKHT-LLVKDONJSA-N 0 2 354.344 1.939 20 5 FDBDLN CCN(C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000280656596 258613772 /nfs/dbraw/zinc/61/37/72/258613772.db2.gz AFAZIUACLCCLLL-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000299385771 258993882 /nfs/dbraw/zinc/99/38/82/258993882.db2.gz YBQCECRXHFVGBE-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COc1ccnc(NC2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000364385105 259744795 /nfs/dbraw/zinc/74/47/95/259744795.db2.gz LBDNHFGGVLICFF-UHFFFAOYSA-N 0 2 373.369 1.816 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367223929 260012339 /nfs/dbraw/zinc/01/23/39/260012339.db2.gz KWFPXAXLUVSYRK-HNNXBMFYSA-N 0 2 355.350 1.831 20 5 FDBDLN COC(=O)C1=NOC2(C1)CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000367625261 260070459 /nfs/dbraw/zinc/07/04/59/260070459.db2.gz KTFNYOVXKPDDGO-UHFFFAOYSA-N 0 2 363.326 1.225 20 5 FDBDLN CN(C)c1noc([C@H]2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)n1 ZINC000367631109 260070747 /nfs/dbraw/zinc/07/07/47/260070747.db2.gz BAWRHQFEFTZTRC-JTQLQIEISA-N 0 2 361.358 1.769 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)Cc2ccccc2)C1)c1cccc(O)c1[N+](=O)[O-] ZINC000367631221 260070987 /nfs/dbraw/zinc/07/09/87/260070987.db2.gz KKXZBJSDBBBBDK-CQSZACIVSA-N 0 2 369.377 1.874 20 5 FDBDLN Cn1cc(-c2ccnc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])n2)cn1 ZINC000373372426 261004948 /nfs/dbraw/zinc/00/49/48/261004948.db2.gz GCVCHFYHCMMUOO-UHFFFAOYSA-N 0 2 374.382 1.727 20 5 FDBDLN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000378406815 262018949 /nfs/dbraw/zinc/01/89/49/262018949.db2.gz WHAMFVVWRUETGY-CQSZACIVSA-N 0 2 360.370 1.864 20 5 FDBDLN CN(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C(C)(C)C1 ZINC000408410255 262104962 /nfs/dbraw/zinc/10/49/62/262104962.db2.gz MOCIXYSVEVDEAM-UHFFFAOYSA-N 0 2 350.375 1.518 20 5 FDBDLN CCOC(=O)c1ccnc(Nc2cc(C)n(CC(=O)NC)n2)c1[N+](=O)[O-] ZINC000502807140 490722524 /nfs/dbraw/zinc/72/25/24/490722524.db2.gz SPJSYZSYGHYXOC-UHFFFAOYSA-N 0 2 362.346 1.161 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C ZINC000063878079 522667792 /nfs/dbraw/zinc/66/77/92/522667792.db2.gz ODWBIJKOWCRJDV-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000116710654 525195773 /nfs/dbraw/zinc/19/57/73/525195773.db2.gz AOQJRMBWVCJPDW-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2ncccn2)n1 ZINC000128550585 525554940 /nfs/dbraw/zinc/55/49/40/525554940.db2.gz WAINVRCFFHXGBJ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263348796 537021113 /nfs/dbraw/zinc/02/11/13/537021113.db2.gz PFWYNEPCBBMVKD-AAEUAGOBSA-N 0 2 358.354 1.963 20 5 FDBDLN CCOc1cc(N2CCN(C(=O)N=c3cccn[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000432242066 538130820 /nfs/dbraw/zinc/13/08/20/538130820.db2.gz VYUVCJYOQXZWDF-UHFFFAOYSA-N 0 2 372.385 2.138 20 5 FDBDLN Cn1cc(-c2nn(C)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000432350850 538136979 /nfs/dbraw/zinc/13/69/79/538136979.db2.gz FZNDRRCWJFXBQM-UHFFFAOYSA-N 0 2 362.371 1.530 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)ccc1[N+](=O)[O-] ZINC000494401885 538535732 /nfs/dbraw/zinc/53/57/32/538535732.db2.gz FYBKOOCUMAJNQV-UHFFFAOYSA-N 0 2 367.387 1.139 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c([N+](=O)[O-])n1 ZINC000481844956 538587692 /nfs/dbraw/zinc/58/76/92/538587692.db2.gz KZNFCVRSTRWYDF-UHFFFAOYSA-N 0 2 370.372 1.724 20 5 FDBDLN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N=c1ccc(C2CC2)n[nH]1 ZINC000467092664 538608523 /nfs/dbraw/zinc/60/85/23/538608523.db2.gz DDEARLVBVMCKMZ-UHFFFAOYSA-N 0 2 356.338 2.215 20 5 FDBDLN CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905576 538851639 /nfs/dbraw/zinc/85/16/39/538851639.db2.gz KMZNJJSVOPSRSZ-UKRRQHHQSA-N 0 2 364.446 1.984 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000563204907 546444493 /nfs/dbraw/zinc/44/44/93/546444493.db2.gz AVFQMBHJMLWTQQ-UHFFFAOYSA-N 0 2 357.370 1.714 20 5 FDBDLN Cc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1S(N)(=O)=O ZINC000565966418 547551112 /nfs/dbraw/zinc/55/11/12/547551112.db2.gz GHYIDTJWPYFDFH-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNc3nccc(C(=O)[O-])c3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000566295402 547698994 /nfs/dbraw/zinc/69/89/94/547698994.db2.gz XGZFDDZPRLMIPM-LLVKDONJSA-N 0 2 373.369 1.920 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000566381974 547736602 /nfs/dbraw/zinc/73/66/02/547736602.db2.gz YQJLRBVESISCNA-UHFFFAOYSA-N 0 2 359.313 1.929 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cc(N(C)C)ncn2)ccc1[N+](=O)[O-] ZINC000571936525 549806775 /nfs/dbraw/zinc/80/67/75/549806775.db2.gz XSYOVNWVBHJNMV-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN CN(C)c1cccnc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000576911489 550598926 /nfs/dbraw/zinc/59/89/26/550598926.db2.gz PPDJTPNVKPVDPU-UHFFFAOYSA-N 0 2 354.363 1.673 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000579843322 550916565 /nfs/dbraw/zinc/91/65/65/550916565.db2.gz BSCNYCUKJLGDQH-UHFFFAOYSA-N 0 2 358.358 1.421 20 5 FDBDLN Cc1sc(S(=O)(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000590175957 551763677 /nfs/dbraw/zinc/76/36/77/551763677.db2.gz UFLQWWLPHBVGGS-UHFFFAOYSA-N 0 2 373.416 1.357 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592747203 552023426 /nfs/dbraw/zinc/02/34/26/552023426.db2.gz OIOLLZXXKWWABW-GFCCVEGCSA-N 0 2 369.805 1.891 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000593290481 552084113 /nfs/dbraw/zinc/08/41/13/552084113.db2.gz FVZFAFCQDXNQEA-UHFFFAOYSA-N 0 2 351.315 1.059 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1CC1 ZINC000593290481 552084114 /nfs/dbraw/zinc/08/41/14/552084114.db2.gz FVZFAFCQDXNQEA-UHFFFAOYSA-N 0 2 351.315 1.059 20 5 FDBDLN O=C([O-])c1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc[nH+]1 ZINC000593326220 552089969 /nfs/dbraw/zinc/08/99/69/552089969.db2.gz ZJWJPQAEUJPXNA-UHFFFAOYSA-N 0 2 362.367 1.712 20 5 FDBDLN C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@H](C(=O)[O-])O1 ZINC000593755762 552191954 /nfs/dbraw/zinc/19/19/54/552191954.db2.gz QVVJNLZUZVYGRR-MLGOLLRUSA-N 0 2 365.386 1.105 20 5 FDBDLN CN(C)S(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000595279946 552511219 /nfs/dbraw/zinc/51/12/19/552511219.db2.gz KDFXTVZBSNQMNE-ZDUSSCGKSA-N 0 2 371.415 1.149 20 5 FDBDLN CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000595279946 552511222 /nfs/dbraw/zinc/51/12/22/552511222.db2.gz KDFXTVZBSNQMNE-ZDUSSCGKSA-N 0 2 371.415 1.149 20 5 FDBDLN O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000595977279 552640714 /nfs/dbraw/zinc/64/07/14/552640714.db2.gz FUCVYGUIVVKQLT-NOLJZWGESA-N 0 2 365.386 1.063 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2nnc(N3CCCC3)cc2C1 ZINC000598582046 552911066 /nfs/dbraw/zinc/91/10/66/552911066.db2.gz LDHPTOHOQKWETN-UHFFFAOYSA-N 0 2 369.381 1.889 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH]n1 ZINC000598711053 552927466 /nfs/dbraw/zinc/92/74/66/552927466.db2.gz DSJJIJPCIDOEKO-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cn1 ZINC000598711478 552927544 /nfs/dbraw/zinc/92/75/44/552927544.db2.gz USVOYTWODJMBHG-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598735271 552929166 /nfs/dbraw/zinc/92/91/66/552929166.db2.gz VPIPGYLSWKTKRB-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN C[C@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000600668511 553297231 /nfs/dbraw/zinc/29/72/31/553297231.db2.gz YFRATIXMMROSJY-SECBINFHSA-N 0 2 352.372 1.361 20 5 FDBDLN CC[NH+](CC)Cc1csc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n1 ZINC000600668679 553297275 /nfs/dbraw/zinc/29/72/75/553297275.db2.gz OKZVAOLDHWTXOE-UHFFFAOYSA-N 0 2 374.448 1.427 20 5 FDBDLN NS(=O)(=O)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000613928840 554986353 /nfs/dbraw/zinc/98/63/53/554986353.db2.gz HOJRKXLIOFJNIG-UHFFFAOYSA-N 0 2 365.367 1.019 20 5 FDBDLN COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000272455302 674446856 /nfs/dbraw/zinc/44/68/56/674446856.db2.gz WVKFGHDWZZFHLW-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000739508919 599784003 /nfs/dbraw/zinc/78/40/03/599784003.db2.gz QDYZNFIPJVGYBZ-QGZVFWFLSA-N 0 2 355.350 1.899 20 5 FDBDLN Cc1cn(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738330952 600423736 /nfs/dbraw/zinc/42/37/36/600423736.db2.gz LQFSJEUGUFQKRI-CYBMUJFWSA-N 0 2 360.370 1.610 20 5 FDBDLN Cc1cn(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738330952 600423740 /nfs/dbraw/zinc/42/37/40/600423740.db2.gz LQFSJEUGUFQKRI-CYBMUJFWSA-N 0 2 360.370 1.610 20 5 FDBDLN O=C([O-])CNC(=O)c1ccc(N2CCC[C@H](n3cc[nH+]c3)C2)c([N+](=O)[O-])c1 ZINC000833252239 600813435 /nfs/dbraw/zinc/81/34/35/600813435.db2.gz KCIAQZPXJKAKLR-ZDUSSCGKSA-N 0 2 373.369 1.447 20 5 FDBDLN CN(C(=O)[O-])C1CC[NH+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000737938278 602528239 /nfs/dbraw/zinc/52/82/39/602528239.db2.gz AEGGBTURCJKPTO-UHFFFAOYSA-N 0 2 360.374 1.885 20 5 FDBDLN C[C@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739188001 603051797 /nfs/dbraw/zinc/05/17/97/603051797.db2.gz LHOYHVKDWZIWLQ-AAEUAGOBSA-N 0 2 360.374 1.789 20 5 FDBDLN C[C@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@@H]1NC(=O)[O-] ZINC000739188001 603051802 /nfs/dbraw/zinc/05/18/02/603051802.db2.gz LHOYHVKDWZIWLQ-AAEUAGOBSA-N 0 2 360.374 1.789 20 5 FDBDLN CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000273264836 674522309 /nfs/dbraw/zinc/52/23/09/674522309.db2.gz UIBMQJYEFHSMPX-CABCVRRESA-N 0 2 350.371 1.693 20 5 FDBDLN O=C([O-])N1[C@@H]2CC[C@H]1C[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000831485092 603987352 /nfs/dbraw/zinc/98/73/52/603987352.db2.gz NZVNTYRPXPBVLK-HIFRSBDPSA-N 0 2 374.397 1.701 20 5 FDBDLN O=C([O-])N1[C@@H]2CC[C@H]1C[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000831485092 603987355 /nfs/dbraw/zinc/98/73/55/603987355.db2.gz NZVNTYRPXPBVLK-HIFRSBDPSA-N 0 2 374.397 1.701 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000833907285 605772503 /nfs/dbraw/zinc/77/25/03/605772503.db2.gz FUYWHZUPONDCHV-NEPJUHHUSA-N 0 2 350.375 1.962 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000833907285 605772505 /nfs/dbraw/zinc/77/25/05/605772505.db2.gz FUYWHZUPONDCHV-NEPJUHHUSA-N 0 2 350.375 1.962 20 5 FDBDLN CCc1nn(Cc2ccc([N+](=O)[O-])cc2F)c(=O)c(-c2nn[nH]n2)c1CC ZINC000821516853 606171736 /nfs/dbraw/zinc/17/17/36/606171736.db2.gz DNKFYYPSZRVYOZ-UHFFFAOYSA-N 0 2 373.348 1.644 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncc(-c2nn[nH]n2)s1 ZINC000822129228 607025994 /nfs/dbraw/zinc/02/59/94/607025994.db2.gz JKGLRBMNEYYCQY-UHFFFAOYSA-N 0 2 367.372 1.341 20 5 FDBDLN O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000273644510 674557982 /nfs/dbraw/zinc/55/79/82/674557982.db2.gz FPGADKNBAYXFQU-UHFFFAOYSA-N 0 2 369.399 1.152 20 5 FDBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000298299721 676449881 /nfs/dbraw/zinc/44/98/81/676449881.db2.gz KNBGBXVRUMVCEG-UHFFFAOYSA-N 0 2 369.403 1.150 20 5 FDBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000436479444 681697889 /nfs/dbraw/zinc/69/78/89/681697889.db2.gz UHPWEYZDDGGFLX-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436819081 681732908 /nfs/dbraw/zinc/73/29/08/681732908.db2.gz MRTWKMMSQBMDSW-UHFFFAOYSA-N 0 2 350.352 1.634 20 5 FDBDLN CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436990614 681752215 /nfs/dbraw/zinc/75/22/15/681752215.db2.gz RDGKDWHPBIIFND-ZDUSSCGKSA-N 0 2 356.375 1.175 20 5 FDBDLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000476179187 685685148 /nfs/dbraw/zinc/68/51/48/685685148.db2.gz VODPNUGSKTYNHQ-UHFFFAOYSA-N 0 2 356.381 1.799 20 5 FDBDLN CS(=O)(=O)Nc1cccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000483435725 686506995 /nfs/dbraw/zinc/50/69/95/686506995.db2.gz RBJLFHUOOGBWNS-UHFFFAOYSA-N 0 2 365.367 1.853 20 5 FDBDLN CS(=O)(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505342624 688494092 /nfs/dbraw/zinc/49/40/92/688494092.db2.gz HTKHJFQTVGBQPI-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN Cc1cc(N2CCC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)n(C)n1 ZINC000376089297 785838433 /nfs/dbraw/zinc/83/84/33/785838433.db2.gz RTWCEYVEAFTVMN-GFCCVEGCSA-N 0 2 359.386 1.741 20 5 FDBDLN O=C(Nc1cccc(CN2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436889993 816778460 /nfs/dbraw/zinc/77/84/60/816778460.db2.gz CZFSKKBECSXGJJ-UHFFFAOYSA-N 0 2 358.354 1.780 20 5 FDBDLN O=C(Nc1cccc(N2C(=O)COCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436912031 816785195 /nfs/dbraw/zinc/78/51/95/816785195.db2.gz VVMAJMQWIJRPCF-UHFFFAOYSA-N 0 2 371.305 1.443 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000436917844 816792710 /nfs/dbraw/zinc/79/27/10/816792710.db2.gz FVDAYSJDFNSZAQ-OAHLLOKOSA-N 0 2 355.350 1.484 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCCc1n[nH]c(=O)[nH]1 ZINC000447808239 828904418 /nfs/dbraw/zinc/90/44/18/828904418.db2.gz UMWQQAHDHBZRSN-UHFFFAOYSA-N 0 2 355.738 1.903 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)o1 ZINC000917609323 883599471 /nfs/dbraw/zinc/59/94/71/883599471.db2.gz UJKHDZROAAJFQX-UHFFFAOYSA-N 0 2 357.319 1.830 20 5 FDBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000736159540 924782489 /nfs/dbraw/zinc/78/24/89/924782489.db2.gz XWDJCEYSSRKDOO-UHFFFAOYSA-N 0 2 362.733 1.580 20 5 FDBDLN COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774989387 964379341 /nfs/dbraw/zinc/37/93/41/964379341.db2.gz QYUFKFAGHXSWGX-UHFFFAOYSA-N 0 2 354.344 1.514 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001597111439 986765304 /nfs/dbraw/zinc/76/53/04/986765304.db2.gz HNDFSJMOWTZDHW-MRXNPFEDSA-N 0 2 367.358 1.108 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2CC[C@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001597111439 986765307 /nfs/dbraw/zinc/76/53/07/986765307.db2.gz HNDFSJMOWTZDHW-MRXNPFEDSA-N 0 2 367.358 1.108 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000795171421 986955735 /nfs/dbraw/zinc/95/57/35/986955735.db2.gz GEDONDGZTNSBQS-UHFFFAOYSA-N 0 2 373.325 1.566 20 5 FDBDLN CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597293467 987390457 /nfs/dbraw/zinc/39/04/57/987390457.db2.gz LAPODFCIPONILK-GFCCVEGCSA-N 0 2 351.359 1.159 20 5 FDBDLN CC[C@@H]1C(=O)NCCC[N@@H+]1Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001597293467 987390458 /nfs/dbraw/zinc/39/04/58/987390458.db2.gz LAPODFCIPONILK-GFCCVEGCSA-N 0 2 351.359 1.159 20 5 FDBDLN CCC(CC)NC(=O)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2O1 ZINC000361463198 988389031 /nfs/dbraw/zinc/38/90/31/988389031.db2.gz PCPIBWRFWRHHOP-INWMFGNUSA-N 0 2 361.398 1.751 20 5 FDBDLN NC(=O)c1ccc(-c2ccc3c(c2)N(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CCO3)s1 ZINC000363022981 988837651 /nfs/dbraw/zinc/83/76/51/988837651.db2.gz XNBLZKRISNQRSR-MNOVXSKESA-N 0 2 373.390 1.905 20 5 FDBDLN CNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000364385741 989556087 /nfs/dbraw/zinc/55/60/87/989556087.db2.gz BPUFQHWTTXBASK-OAHLLOKOSA-N 0 2 355.350 1.614 20 5 FDBDLN CC(C)c1cc(C(=O)N2CCC(N(C)C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC000953928412 1012903480 /nfs/dbraw/zinc/90/34/80/1012903480.db2.gz BFTUMHMZURYHCS-IUODEOHRSA-N 0 2 363.418 1.261 20 5 FDBDLN CN(C)c1noc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)n1 ZINC000194461994 178212578 /nfs/dbraw/zinc/21/25/78/178212578.db2.gz JOUNZMJOVXLJFG-SNVBAGLBSA-N 0 2 361.358 1.769 20 5 FDBDLN O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000269081259 180210958 /nfs/dbraw/zinc/21/09/58/180210958.db2.gz IMXXBTDBKZESTF-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000269721895 180370975 /nfs/dbraw/zinc/37/09/75/180370975.db2.gz VAJIHTVQGHRWPT-NSHDSACASA-N 0 2 368.371 1.562 20 5 FDBDLN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCOCC1 ZINC000534106911 540325195 /nfs/dbraw/zinc/32/51/95/540325195.db2.gz YJXPPRHSCKGGHX-CQSZACIVSA-N 0 2 352.343 1.389 20 5 FDBDLN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000537770205 540773073 /nfs/dbraw/zinc/77/30/73/540773073.db2.gz LYKPDPXDBBYPLV-VIFPVBQESA-N 0 2 369.337 1.934 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000539852628 541000359 /nfs/dbraw/zinc/00/03/59/541000359.db2.gz CGOSCPNHLJIFNR-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000539972141 541014488 /nfs/dbraw/zinc/01/44/88/541014488.db2.gz WGIWIWLRTMYCPV-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN CC1(C)c2cc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])ccc2NC1=O ZINC000542515964 541418469 /nfs/dbraw/zinc/41/84/69/541418469.db2.gz DBROIBXHCJJBKO-UHFFFAOYSA-N 0 2 362.367 1.442 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[nH]n1 ZINC000542518925 541419172 /nfs/dbraw/zinc/41/91/72/541419172.db2.gz KOZZAWKVGUTQKW-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295758928 184102331 /nfs/dbraw/zinc/10/23/31/184102331.db2.gz XLYFPZCDBDCKII-WCQYABFASA-N 0 2 355.350 1.722 20 5 FDBDLN CC(C)(C)OCc1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])no1 ZINC000548603771 542717078 /nfs/dbraw/zinc/71/70/78/542717078.db2.gz GHNZCMLDCMGXQW-UHFFFAOYSA-N 0 2 370.387 1.771 20 5 FDBDLN Cc1cc(NC(=O)CSCC(=O)Nc2cc([N+](=O)[O-])ccc2O)no1 ZINC000550943834 543203962 /nfs/dbraw/zinc/20/39/62/543203962.db2.gz DUYORKFIKSTFEU-UHFFFAOYSA-N 0 2 366.355 1.907 20 5 FDBDLN O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000551920302 543376507 /nfs/dbraw/zinc/37/65/07/543376507.db2.gz FQNBLJNIAOYYSP-UHFFFAOYSA-N 0 2 370.409 1.852 20 5 FDBDLN O=C(NCc1cccc(N2CCOCC2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552441794 543467541 /nfs/dbraw/zinc/46/75/41/543467541.db2.gz YNCQVRHMCXJGPP-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN COc1cncc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000367533316 260056329 /nfs/dbraw/zinc/05/63/29/260056329.db2.gz JTVRAQVNIDHFFS-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)c1ccccn1 ZINC000368649994 260214448 /nfs/dbraw/zinc/21/44/48/260214448.db2.gz MCMRZGBEKONQTN-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN NC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000375628355 261385131 /nfs/dbraw/zinc/38/51/31/261385131.db2.gz CJLOSGCRMBWMMR-SECBINFHSA-N 0 2 359.342 1.142 20 5 FDBDLN CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000270870483 674280474 /nfs/dbraw/zinc/28/04/74/674280474.db2.gz TVLCRXBASDVZFB-GMSGAONNSA-N 0 2 360.285 1.714 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067146715 523335950 /nfs/dbraw/zinc/33/59/50/523335950.db2.gz WBODSVCTKHLZML-GFCCVEGCSA-N 0 2 350.302 1.609 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n(-c2ccc(C)nn2)n1 ZINC000126334332 525299238 /nfs/dbraw/zinc/29/92/38/525299238.db2.gz DQGHTQRXMPCCBG-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000179494709 525591207 /nfs/dbraw/zinc/59/12/07/525591207.db2.gz RASNNUOXNHFHDH-ZDUSSCGKSA-N 0 2 359.313 1.975 20 5 FDBDLN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272639070 537309270 /nfs/dbraw/zinc/30/92/70/537309270.db2.gz WZCYBLOGFOYAPZ-SKDRFNHKSA-N 0 2 353.400 1.730 20 5 FDBDLN CCc1nc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000270597798 537359862 /nfs/dbraw/zinc/35/98/62/537359862.db2.gz VCFKUZZZCQBAIA-ZETCQYMHSA-N 0 2 359.795 1.968 20 5 FDBDLN C[C@H](CONC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000273023464 537382127 /nfs/dbraw/zinc/38/21/27/537382127.db2.gz CNQKIYBVMRQABN-SECBINFHSA-N 0 2 355.347 1.875 20 5 FDBDLN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412323192 537968002 /nfs/dbraw/zinc/96/80/02/537968002.db2.gz HOBUALDRVUZEBV-VIFPVBQESA-N 0 2 356.342 1.920 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444745332 538194251 /nfs/dbraw/zinc/19/42/51/538194251.db2.gz QQMGNBLCVIWNAC-UHFFFAOYSA-N 0 2 363.377 1.868 20 5 FDBDLN Cc1nc(Cn2nnc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2C)no1 ZINC000436701506 538413156 /nfs/dbraw/zinc/41/31/56/538413156.db2.gz ASSVNJHKYYMBPM-UHFFFAOYSA-N 0 2 359.302 1.192 20 5 FDBDLN COC(=O)C[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccn1 ZINC000436701478 538413238 /nfs/dbraw/zinc/41/32/38/538413238.db2.gz DRDHSFVUFYAXGY-QGZVFWFLSA-N 0 2 359.338 1.904 20 5 FDBDLN C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCN1C(=O)c1cnn(C)c1 ZINC000456949360 538463218 /nfs/dbraw/zinc/46/32/18/538463218.db2.gz MNHNMGXRBXBOHM-NSHDSACASA-N 0 2 373.369 1.021 20 5 FDBDLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000461106083 538503247 /nfs/dbraw/zinc/50/32/47/538503247.db2.gz DDMICYGUXUPPRE-UHFFFAOYSA-N 0 2 365.367 1.318 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-] ZINC000466962431 538584727 /nfs/dbraw/zinc/58/47/27/538584727.db2.gz CPWRQIAXBZKMOR-UHFFFAOYSA-N 0 2 366.384 1.741 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000481975207 538603307 /nfs/dbraw/zinc/60/33/07/538603307.db2.gz RIYSIGSJERZODY-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN O=C(N=c1nc2n([nH]1)CCCC2)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000456018779 538685795 /nfs/dbraw/zinc/68/57/95/538685795.db2.gz RLWDAAINRLETOR-UHFFFAOYSA-N 0 2 350.766 2.498 20 5 FDBDLN O=C(NCc1n[nH]c(COc2ccccc2)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000474931104 538850125 /nfs/dbraw/zinc/85/01/25/538850125.db2.gz ZBLJVWGVWYUUDJ-UHFFFAOYSA-N 0 2 369.337 1.928 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000476423035 538867514 /nfs/dbraw/zinc/86/75/14/538867514.db2.gz ACEITCDHMOUNBE-UHFFFAOYSA-N 0 2 370.774 1.824 20 5 FDBDLN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000564456250 546919591 /nfs/dbraw/zinc/91/95/91/546919591.db2.gz RHHAMNKMMNDLPX-UHFFFAOYSA-N 0 2 367.312 1.645 20 5 FDBDLN C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000567879526 548305043 /nfs/dbraw/zinc/30/50/43/548305043.db2.gz VFJHKRAJGVVYNE-WCQYABFASA-N 0 2 358.354 1.963 20 5 FDBDLN Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000569931213 549099910 /nfs/dbraw/zinc/09/99/10/549099910.db2.gz XDPVUNCZYSIJMV-UHFFFAOYSA-N 0 2 359.386 1.657 20 5 FDBDLN O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000572162813 549856498 /nfs/dbraw/zinc/85/64/98/549856498.db2.gz JZIIRJXBNAGLCK-UHFFFAOYSA-N 0 2 356.342 1.920 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)C2 ZINC000573671634 550188456 /nfs/dbraw/zinc/18/84/56/550188456.db2.gz SHWHZSLTWNRQNK-GFCCVEGCSA-N 0 2 360.370 1.085 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574882344 550386221 /nfs/dbraw/zinc/38/62/21/550386221.db2.gz UNGIYDWJSVDMNQ-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574882344 550386223 /nfs/dbraw/zinc/38/62/23/550386223.db2.gz UNGIYDWJSVDMNQ-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C2 ZINC000582967944 551286615 /nfs/dbraw/zinc/28/66/15/551286615.db2.gz CMIBJLVPKMEPBU-NSHDSACASA-N 0 2 360.370 1.085 20 5 FDBDLN O=C([O-])c1cn([C@H]2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)C2)nn1 ZINC000583874822 551414328 /nfs/dbraw/zinc/41/43/28/551414328.db2.gz KZVNQRVRLXUUGX-LBPRGKRZSA-N 0 2 354.326 1.884 20 5 FDBDLN NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586782140 551618818 /nfs/dbraw/zinc/61/88/18/551618818.db2.gz CUBCNVLQCLCBCL-UHFFFAOYSA-N 0 2 369.377 1.960 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](C)C(=O)Nc1ncccc1O ZINC000588863234 551694507 /nfs/dbraw/zinc/69/45/07/551694507.db2.gz VRRHLWLYQFUJPP-VHSXEESVSA-N 0 2 374.353 1.794 20 5 FDBDLN O=C(CNS(=O)(=O)c1cccc(F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000589487659 551733190 /nfs/dbraw/zinc/73/31/90/551733190.db2.gz QKMKYAQSMIDKDI-UHFFFAOYSA-N 0 2 369.330 1.357 20 5 FDBDLN O=C([O-])c1ccnc(NCc2ccc(N3CCOCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000592967890 552050457 /nfs/dbraw/zinc/05/04/57/552050457.db2.gz PYYPSATZKLEFGM-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000594381356 552299494 /nfs/dbraw/zinc/29/94/94/552299494.db2.gz IMLZIBMZLGMRKF-LLVKDONJSA-N 0 2 352.265 1.312 20 5 FDBDLN CO[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C(=O)[O-])C1 ZINC000595279927 552511041 /nfs/dbraw/zinc/51/10/41/552511041.db2.gz HGBWEHJVTBYTMB-QWHCGFSZSA-N 0 2 362.342 1.709 20 5 FDBDLN CO[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C(=O)[O-])C1 ZINC000595279927 552511043 /nfs/dbraw/zinc/51/10/43/552511043.db2.gz HGBWEHJVTBYTMB-QWHCGFSZSA-N 0 2 362.342 1.709 20 5 FDBDLN Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595977856 552640826 /nfs/dbraw/zinc/64/08/26/552640826.db2.gz JBMVCEAYHRVWMR-IACUBPJLSA-N 0 2 358.354 1.418 20 5 FDBDLN CC(C)(C)OC(=O)C1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000598526651 552905625 /nfs/dbraw/zinc/90/56/25/552905625.db2.gz HJFFOCBXGGWYIJ-UHFFFAOYSA-N 0 2 366.370 1.921 20 5 FDBDLN Cc1cc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000598610594 552915359 /nfs/dbraw/zinc/91/53/59/552915359.db2.gz IFFZGFDBCJPNNS-GFCCVEGCSA-N 0 2 373.417 2.441 20 5 FDBDLN COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600461302 553271742 /nfs/dbraw/zinc/27/17/42/553271742.db2.gz UIRQYLZNTDRCTF-GWCFXTLKSA-N 0 2 352.343 1.389 20 5 FDBDLN CCO[C@@H](CS(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000600652409 553291857 /nfs/dbraw/zinc/29/18/57/553291857.db2.gz RYPHBQSBKJODFR-AWEZNQCLSA-N 0 2 372.399 1.938 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000600668857 553297255 /nfs/dbraw/zinc/29/72/55/553297255.db2.gz FHEQOXSIEXYWNH-UHFFFAOYSA-N 0 2 365.415 1.956 20 5 FDBDLN C[C@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)NC(=O)NC1=O ZINC000603610407 553806278 /nfs/dbraw/zinc/80/62/78/553806278.db2.gz IRRWUDGYZSJTKW-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN NC(=O)CCOc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000603981222 553834451 /nfs/dbraw/zinc/83/44/51/553834451.db2.gz UYAQBZSYXDQIPH-UHFFFAOYSA-N 0 2 365.367 1.650 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(OCC(N)=O)c1 ZINC000603974276 553834496 /nfs/dbraw/zinc/83/44/96/553834496.db2.gz IUQNMVUCJUDVPJ-UHFFFAOYSA-N 0 2 365.367 1.568 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2C)c([N+](=O)[O-])c1 ZINC000608927218 554329724 /nfs/dbraw/zinc/32/97/24/554329724.db2.gz SCPUTSQAYOWOSL-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(N)=O)sc1C ZINC000610732862 554555935 /nfs/dbraw/zinc/55/59/35/554555935.db2.gz IYKKTDSUOJUMEY-UHFFFAOYSA-N 0 2 371.396 1.873 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cc(C(N)=O)sc2C)c([N+](=O)[O-])n1 ZINC000611132331 554608508 /nfs/dbraw/zinc/60/85/08/554608508.db2.gz QJIZHCAEFZOMSR-UHFFFAOYSA-N 0 2 359.389 1.081 20 5 FDBDLN NC(=O)C1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000611534991 554643121 /nfs/dbraw/zinc/64/31/21/554643121.db2.gz QYFFWBFEPKOGFR-UHFFFAOYSA-N 0 2 369.377 1.960 20 5 FDBDLN CNS(=O)(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000612519024 554798385 /nfs/dbraw/zinc/79/83/85/554798385.db2.gz ZRHXOGFVAUGYPF-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN COc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)ncn1 ZINC000436625014 568104233 /nfs/dbraw/zinc/10/42/33/568104233.db2.gz NLHRCMVVWWDPFU-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832905732 601025699 /nfs/dbraw/zinc/02/56/99/601025699.db2.gz RPAWZQAWWGAHIP-GFCCVEGCSA-N 0 2 353.400 1.734 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000832905732 601025703 /nfs/dbraw/zinc/02/57/03/601025703.db2.gz RPAWZQAWWGAHIP-GFCCVEGCSA-N 0 2 353.400 1.734 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000739688342 602434773 /nfs/dbraw/zinc/43/47/73/602434773.db2.gz ZVIHMXZNRUWXDQ-UHFFFAOYSA-N 0 2 353.335 1.235 20 5 FDBDLN CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000273154923 674512425 /nfs/dbraw/zinc/51/24/25/674512425.db2.gz AGHQGDLIQXFRPI-LBPRGKRZSA-N 0 2 356.400 1.730 20 5 FDBDLN C[C@@H]1C[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1NC(=O)[O-] ZINC000739188003 603051967 /nfs/dbraw/zinc/05/19/67/603051967.db2.gz LHOYHVKDWZIWLQ-DGCLKSJQSA-N 0 2 360.374 1.789 20 5 FDBDLN C[C@@H]1C[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC[C@H]1NC(=O)[O-] ZINC000739188003 603051971 /nfs/dbraw/zinc/05/19/71/603051971.db2.gz LHOYHVKDWZIWLQ-DGCLKSJQSA-N 0 2 360.374 1.789 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830138298 603551603 /nfs/dbraw/zinc/55/16/03/603551603.db2.gz RFBPDNDEZKOOKN-CYBMUJFWSA-N 0 2 350.375 1.964 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000830138298 603551606 /nfs/dbraw/zinc/55/16/06/603551606.db2.gz RFBPDNDEZKOOKN-CYBMUJFWSA-N 0 2 350.375 1.964 20 5 FDBDLN Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877976 603845019 /nfs/dbraw/zinc/84/50/19/603845019.db2.gz XKUYSUOEAGPHPH-NWDGAFQWSA-N 0 2 350.375 1.914 20 5 FDBDLN Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877976 603845022 /nfs/dbraw/zinc/84/50/22/603845022.db2.gz XKUYSUOEAGPHPH-NWDGAFQWSA-N 0 2 350.375 1.914 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](CNC(=O)[O-])C1 ZINC000828506098 604404702 /nfs/dbraw/zinc/40/47/02/604404702.db2.gz DIRLVKHNBZTEHU-LBPRGKRZSA-N 0 2 362.342 1.365 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](CNC(=O)[O-])C1 ZINC000828506098 604404705 /nfs/dbraw/zinc/40/47/05/604404705.db2.gz DIRLVKHNBZTEHU-LBPRGKRZSA-N 0 2 362.342 1.365 20 5 FDBDLN C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833586875 605402674 /nfs/dbraw/zinc/40/26/74/605402674.db2.gz HXENJWNNDTVAMS-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833586875 605402676 /nfs/dbraw/zinc/40/26/76/605402676.db2.gz HXENJWNNDTVAMS-VHSXEESVSA-N 0 2 357.388 1.006 20 5 FDBDLN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000823634454 606980909 /nfs/dbraw/zinc/98/09/09/606980909.db2.gz FXSYIBKQICWSIP-UHFFFAOYSA-N 0 2 365.306 1.110 20 5 FDBDLN COc1ccc(S(=O)(=O)NCCCc2cn[nH]c2C)c([N+](=O)[O-])c1 ZINC000288819967 676058743 /nfs/dbraw/zinc/05/87/43/676058743.db2.gz BGWRVKFWQFHHAD-UHFFFAOYSA-N 0 2 354.388 1.546 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CS(=O)(=O)c2ccccc21 ZINC000376053412 678218813 /nfs/dbraw/zinc/21/88/13/678218813.db2.gz DYZNILUSAUBTBH-AWEZNQCLSA-N 0 2 362.363 1.901 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC[C@H]2CCOC2)CC1 ZINC000376103946 678225594 /nfs/dbraw/zinc/22/55/94/678225594.db2.gz TZTQOHAXAGOSBA-LBPRGKRZSA-N 0 2 350.371 1.958 20 5 FDBDLN CC(=O)NCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCSCC1 ZINC000436719126 681718557 /nfs/dbraw/zinc/71/85/57/681718557.db2.gz NIULPANSIACAOX-UHFFFAOYSA-N 0 2 367.427 1.774 20 5 FDBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cncnc2)cc([N+](=O)[O-])c1C ZINC000464562245 684751313 /nfs/dbraw/zinc/75/13/13/684751313.db2.gz UHFJCJSFQHIHIX-UHFFFAOYSA-N 0 2 366.355 1.671 20 5 FDBDLN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483432406 686507094 /nfs/dbraw/zinc/50/70/94/686507094.db2.gz IETHZTFGGVTLQB-GFCCVEGCSA-N 0 2 371.415 1.833 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000508103445 688708313 /nfs/dbraw/zinc/70/83/13/688708313.db2.gz PBFKJGDORYTMBG-UHFFFAOYSA-N 0 2 354.344 1.211 20 5 FDBDLN Cn1ccnc1C(=O)c1ccc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])c1 ZINC000471255928 771388382 /nfs/dbraw/zinc/38/83/82/771388382.db2.gz DPNIJQOTUKBECX-UHFFFAOYSA-N 0 2 371.357 1.428 20 5 FDBDLN CCn1nccc1N1CCC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000376013211 785528686 /nfs/dbraw/zinc/52/86/86/785528686.db2.gz NAEBEWSXGFTKQC-CYBMUJFWSA-N 0 2 373.369 1.442 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2c(nnc2-c2cccnc2)C1 ZINC000376123761 785937844 /nfs/dbraw/zinc/93/78/44/785937844.db2.gz VYHDDTSXXKWLHD-UHFFFAOYSA-N 0 2 366.337 1.610 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CCc3ncc([N+](=O)[O-])cc3C1)c2=O ZINC000512010413 807363889 /nfs/dbraw/zinc/36/38/89/807363889.db2.gz PTTSISDHNMFRLP-UHFFFAOYSA-N 0 2 354.326 1.176 20 5 FDBDLN Cn1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c2c1CCCC2 ZINC000449846043 829694963 /nfs/dbraw/zinc/69/49/63/829694963.db2.gz VDXIXDUZTQUASZ-UHFFFAOYSA-N 0 2 367.369 2.245 20 5 FDBDLN COc1c(C)cnc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])c1C ZINC000742286054 925998748 /nfs/dbraw/zinc/99/87/48/925998748.db2.gz WWUGGJRUUSEOLI-UHFFFAOYSA-N 0 2 352.372 1.489 20 5 FDBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742579578 926091401 /nfs/dbraw/zinc/09/14/01/926091401.db2.gz VUMCMZOHHSCATE-LBPRGKRZSA-N 0 2 350.400 1.888 20 5 FDBDLN C[C@@H](COC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[N+](=O)[O-] ZINC000813106901 941333843 /nfs/dbraw/zinc/33/38/43/941333843.db2.gz HNXVRBMZBNYECW-VIFPVBQESA-N 0 2 371.396 1.766 20 5 FDBDLN O=C(NCc1cnc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000816529189 942254472 /nfs/dbraw/zinc/25/44/72/942254472.db2.gz JYJGGWVVTDXMPX-UHFFFAOYSA-N 0 2 353.132 1.783 20 5 FDBDLN COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001593965694 956534514 /nfs/dbraw/zinc/53/45/14/956534514.db2.gz AOOMZLFVVFOTMZ-QGZVFWFLSA-N 0 2 374.353 1.344 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000773377253 962159391 /nfs/dbraw/zinc/15/93/91/962159391.db2.gz UQDNUZLKHZZNMX-IUODEOHRSA-N 0 2 362.338 1.858 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595487065 981230986 /nfs/dbraw/zinc/23/09/86/981230986.db2.gz HJTBINIJEIVPME-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001595487065 981230990 /nfs/dbraw/zinc/23/09/90/981230990.db2.gz HJTBINIJEIVPME-LLVKDONJSA-N 0 2 371.415 1.398 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1[N+](=O)[O-] ZINC000777673490 1001390905 /nfs/dbraw/zinc/39/09/05/1001390905.db2.gz YXBXZXBOJGCNGF-UHFFFAOYSA-N 0 2 359.345 1.425 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000777677649 1001441308 /nfs/dbraw/zinc/44/13/08/1001441308.db2.gz KBKLCNYMUKCOQQ-UHFFFAOYSA-N 0 2 355.332 1.605 20 5 FDBDLN CN(C(=O)c1cc(C(F)F)[nH]n1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000954544492 1006855301 /nfs/dbraw/zinc/85/53/01/1006855301.db2.gz JLVSNNVRFJOTLQ-BXKDBHETSA-N 0 2 371.344 1.076 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000795590616 1007045104 /nfs/dbraw/zinc/04/51/04/1007045104.db2.gz KVPTXZYKRGPCNA-UHFFFAOYSA-N 0 2 372.334 1.350 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000194993119 178232671 /nfs/dbraw/zinc/23/26/71/178232671.db2.gz LWVSVPFTYMEJHF-UHFFFAOYSA-N 0 2 365.293 1.858 20 5 FDBDLN C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263348798 178900795 /nfs/dbraw/zinc/90/07/95/178900795.db2.gz PFWYNEPCBBMVKD-WCQYABFASA-N 0 2 358.354 1.963 20 5 FDBDLN CCOC(=O)c1cc(C(=O)N(C)C[C@@H](C)C(=O)NC)cc([N+](=O)[O-])c1 ZINC000267215073 179790372 /nfs/dbraw/zinc/79/03/72/179790372.db2.gz MQUKBBXJJBKNJS-SNVBAGLBSA-N 0 2 351.359 1.226 20 5 FDBDLN Nc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000269643008 180348921 /nfs/dbraw/zinc/34/89/21/180348921.db2.gz CXAMUVHEPWXZOZ-UHFFFAOYSA-N 0 2 367.387 1.526 20 5 FDBDLN CCCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274633894 181135978 /nfs/dbraw/zinc/13/59/78/181135978.db2.gz CSEZYNOTHHNZIO-LBPRGKRZSA-N 0 2 353.400 1.684 20 5 FDBDLN COC(=O)CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000274670722 181142664 /nfs/dbraw/zinc/14/26/64/181142664.db2.gz HEUPGZCDTBQEOX-UHFFFAOYSA-N 0 2 366.355 1.900 20 5 FDBDLN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000275085164 181234097 /nfs/dbraw/zinc/23/40/97/181234097.db2.gz GLRZNVMCUSNXOZ-SNVBAGLBSA-N 0 2 357.388 1.301 20 5 FDBDLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000536135569 540557393 /nfs/dbraw/zinc/55/73/93/540557393.db2.gz KSAXPNCFACJMNS-UHFFFAOYSA-N 0 2 356.381 1.799 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)c([N+](=O)[O-])n1 ZINC000541825193 541273435 /nfs/dbraw/zinc/27/34/35/541273435.db2.gz DGLXFNXEFXGIFQ-UHFFFAOYSA-N 0 2 366.403 1.589 20 5 FDBDLN CC(C)(C)n1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000542218000 541358202 /nfs/dbraw/zinc/35/82/02/541358202.db2.gz HOXZQSXZXMQWLQ-UHFFFAOYSA-N 0 2 353.404 1.926 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000544310191 541749744 /nfs/dbraw/zinc/74/97/44/541749744.db2.gz XFDSFBWMKKLLNZ-UHFFFAOYSA-N 0 2 371.309 1.283 20 5 FDBDLN CC(C)(C)n1cnc(=NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)[nH]1 ZINC000544317698 541751508 /nfs/dbraw/zinc/75/15/08/541751508.db2.gz NLOHNMVKFHZTAK-UHFFFAOYSA-N 0 2 374.405 1.690 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1-n1cnnn1 ZINC000181087139 174206572 /nfs/dbraw/zinc/20/65/72/174206572.db2.gz PARQPWXLYLDJSZ-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C1N[C@H](c2ccc([N+](=O)[O-])c(O)c2)Nc2ccc(N3CCOCC3)cc21 ZINC000299614230 259010449 /nfs/dbraw/zinc/01/04/49/259010449.db2.gz XYUXTTDOJHCWSJ-QGZVFWFLSA-N 0 2 370.365 1.991 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1C(=O)N1CCSCC1 ZINC000368373157 260173387 /nfs/dbraw/zinc/17/33/87/260173387.db2.gz BGZOMZUAMHMZAX-ZDUSSCGKSA-N 0 2 365.411 1.480 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1[N+](=O)[O-] ZINC000372520605 260880247 /nfs/dbraw/zinc/88/02/47/260880247.db2.gz GGJHMBCTAFANDS-UHFFFAOYSA-N 0 2 362.367 1.385 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000375087769 261266118 /nfs/dbraw/zinc/26/61/18/261266118.db2.gz BBXHLRIGJYSNHU-CQSZACIVSA-N 0 2 373.340 1.970 20 5 FDBDLN CO[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cnn(C)c1 ZINC000409659115 262131301 /nfs/dbraw/zinc/13/13/01/262131301.db2.gz ITRKREXIOIRXCV-LBPRGKRZSA-N 0 2 357.330 1.440 20 5 FDBDLN CCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000003093769 518258992 /nfs/dbraw/zinc/25/89/92/518258992.db2.gz ZCNWUMGMIAXUQD-UHFFFAOYSA-N 0 2 371.396 1.958 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SC(N(C)C)=NC1=O ZINC000028757237 519249861 /nfs/dbraw/zinc/24/98/61/519249861.db2.gz VGQDCGINFPJMPR-NSHDSACASA-N 0 2 352.372 1.492 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)CC1SC(N(C)C)=NC1=O ZINC000028757237 519249867 /nfs/dbraw/zinc/24/98/67/519249867.db2.gz VGQDCGINFPJMPR-NSHDSACASA-N 0 2 352.372 1.492 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CCOC)c1 ZINC000067124009 523327461 /nfs/dbraw/zinc/32/74/61/523327461.db2.gz WCNREWMWOMSLHB-UHFFFAOYSA-N 0 2 354.388 1.801 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000067899434 523627106 /nfs/dbraw/zinc/62/71/06/523627106.db2.gz YUDVTZUXIPUVFJ-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000126171856 525280427 /nfs/dbraw/zinc/28/04/27/525280427.db2.gz RJSDFAYENCLMMP-UHFFFAOYSA-N 0 2 360.779 1.892 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178160495 525390334 /nfs/dbraw/zinc/39/03/34/525390334.db2.gz JZBPCIYXISISOE-UHFFFAOYSA-N 0 2 359.367 1.747 20 5 FDBDLN O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000117982139 525417802 /nfs/dbraw/zinc/41/78/02/525417802.db2.gz GRRTUNJEXQJUGB-AWEZNQCLSA-N 0 2 359.338 1.814 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000128209317 525516648 /nfs/dbraw/zinc/51/66/48/525516648.db2.gz GDHWGIOSKMMSJP-UHFFFAOYSA-N 0 2 363.399 1.971 20 5 FDBDLN COc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)ccc1[N+](=O)[O-] ZINC000263658878 537055525 /nfs/dbraw/zinc/05/55/25/537055525.db2.gz ICJRDYOYUKGLBP-UHFFFAOYSA-N 0 2 362.342 1.503 20 5 FDBDLN CN(C)c1ncccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000194161437 537259716 /nfs/dbraw/zinc/25/97/16/537259716.db2.gz POKLKZNJCHJVRP-UHFFFAOYSA-N 0 2 354.363 1.673 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)o1 ZINC000285783166 537278978 /nfs/dbraw/zinc/27/89/78/537278978.db2.gz WZXLBEIDZPTIEX-ZETCQYMHSA-N 0 2 370.163 1.813 20 5 FDBDLN Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376072683 537827168 /nfs/dbraw/zinc/82/71/68/537827168.db2.gz AXUACTIIJRCYLB-HNNXBMFYSA-N 0 2 360.370 1.620 20 5 FDBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000481816358 538578394 /nfs/dbraw/zinc/57/83/94/538578394.db2.gz QSTRYPDPRMKNHO-UHFFFAOYSA-N 0 2 357.369 1.194 20 5 FDBDLN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483442858 538701875 /nfs/dbraw/zinc/70/18/75/538701875.db2.gz BJJZZSHIKNUXSN-TXEJJXNPSA-N 0 2 361.354 1.804 20 5 FDBDLN CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000560840934 545617867 /nfs/dbraw/zinc/61/78/67/545617867.db2.gz SXYDUYJNVINJHX-UHFFFAOYSA-N 0 2 372.337 1.110 20 5 FDBDLN C[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)[NH+]1CCOCC1 ZINC000565013011 547157880 /nfs/dbraw/zinc/15/78/80/547157880.db2.gz FZPZOSRJVZWBGA-UWVGGRQHSA-N 0 2 357.794 1.793 20 5 FDBDLN COc1cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c([N+](=O)[O-])cc1F ZINC000567274477 548060645 /nfs/dbraw/zinc/06/06/45/548060645.db2.gz XCLMFDXVHFPCAW-UHFFFAOYSA-N 0 2 365.321 1.586 20 5 FDBDLN CO[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000568654685 548627231 /nfs/dbraw/zinc/62/72/31/548627231.db2.gz VNHHJZSSMGHNTB-IUODEOHRSA-N 0 2 374.353 1.485 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000569202746 548830813 /nfs/dbraw/zinc/83/08/13/548830813.db2.gz RCFZFZXDVPZBGI-UHFFFAOYSA-N 0 2 370.343 1.689 20 5 FDBDLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000576950115 550603360 /nfs/dbraw/zinc/60/33/60/550603360.db2.gz DHMNOEUFGLJMAA-UHFFFAOYSA-N 0 2 367.339 1.008 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000576950115 550603361 /nfs/dbraw/zinc/60/33/61/550603361.db2.gz DHMNOEUFGLJMAA-UHFFFAOYSA-N 0 2 367.339 1.008 20 5 FDBDLN COc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000577041924 550613816 /nfs/dbraw/zinc/61/38/16/550613816.db2.gz RKDWYUIFJJCLAO-LLVKDONJSA-N 0 2 361.358 1.376 20 5 FDBDLN O=C(NCc1nc(CN2CCCCC2)no1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590354399 551775401 /nfs/dbraw/zinc/77/54/01/551775401.db2.gz UVZLYPKDGAOELI-UHFFFAOYSA-N 0 2 361.358 1.599 20 5 FDBDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000592904008 552041361 /nfs/dbraw/zinc/04/13/61/552041361.db2.gz YKORWPNZNNPPIE-CYBMUJFWSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn(C2CCC2)nn1 ZINC000592946646 552047046 /nfs/dbraw/zinc/04/70/46/552047046.db2.gz UQGSHQQKTRCVIT-UHFFFAOYSA-N 0 2 354.330 1.949 20 5 FDBDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593290336 552083888 /nfs/dbraw/zinc/08/38/88/552083888.db2.gz FXQVVHAGGYXFEB-PSASIEDQSA-N 0 2 351.315 1.200 20 5 FDBDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593290336 552083891 /nfs/dbraw/zinc/08/38/91/552083891.db2.gz FXQVVHAGGYXFEB-PSASIEDQSA-N 0 2 351.315 1.200 20 5 FDBDLN CCOC(=O)Cn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000594466967 552317097 /nfs/dbraw/zinc/31/70/97/552317097.db2.gz SKDCIOQGQNYCLZ-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN CO[C@H](CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000594719763 552363588 /nfs/dbraw/zinc/36/35/88/552363588.db2.gz GBYMDNIWTVCOGN-NOZJJQNGSA-N 0 2 370.387 1.264 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000597837994 552838874 /nfs/dbraw/zinc/83/88/74/552838874.db2.gz ZXINLVPYHUGSOC-GFCCVEGCSA-N 0 2 352.343 1.483 20 5 FDBDLN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000597848012 552840430 /nfs/dbraw/zinc/84/04/30/552840430.db2.gz CZFNNBAJNOSHAJ-INIZCTEOSA-N 0 2 364.398 1.988 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000599254838 553004338 /nfs/dbraw/zinc/00/43/38/553004338.db2.gz WKCHQMDAWIRSHH-SSDOTTSWSA-N 0 2 358.380 1.048 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)n1 ZINC000600666776 553296526 /nfs/dbraw/zinc/29/65/26/553296526.db2.gz DSSIRZGYXIRTMS-UHFFFAOYSA-N 0 2 356.364 1.245 20 5 FDBDLN O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1O ZINC000600686098 553300389 /nfs/dbraw/zinc/30/03/89/553300389.db2.gz WNUUEXFNIJMKQB-HNNXBMFYSA-N 0 2 372.381 1.326 20 5 FDBDLN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000600867679 553322397 /nfs/dbraw/zinc/32/23/97/553322397.db2.gz CDKYSOWTCNJAOI-JTQLQIEISA-N 0 2 361.358 1.092 20 5 FDBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(OC)n1 ZINC000604471190 553879811 /nfs/dbraw/zinc/87/98/11/553879811.db2.gz GFPBGLNBWQYLIE-UHFFFAOYSA-N 0 2 369.355 1.816 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000609690853 554412636 /nfs/dbraw/zinc/41/26/36/554412636.db2.gz IPYKMXLCZADTKP-UHFFFAOYSA-N 0 2 371.396 1.876 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000611535481 554643383 /nfs/dbraw/zinc/64/33/83/554643383.db2.gz JGNFHYFWQRPWKI-CYBMUJFWSA-N 0 2 352.343 1.483 20 5 FDBDLN CCOC(=O)c1nnc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])s1 ZINC000613560776 554939281 /nfs/dbraw/zinc/93/92/81/554939281.db2.gz CRCCNTPLGHXFDR-UHFFFAOYSA-N 0 2 354.348 1.722 20 5 FDBDLN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000616173783 555278002 /nfs/dbraw/zinc/27/80/02/555278002.db2.gz QALHYHXPZZRBDI-ZDUSSCGKSA-N 0 2 359.338 1.600 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc(N(C)C)nc1 ZINC000619467791 555782239 /nfs/dbraw/zinc/78/22/39/555782239.db2.gz FDFIMGWPIVHMQX-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1N(C)C ZINC000619507577 555792404 /nfs/dbraw/zinc/79/24/04/555792404.db2.gz PKZXSKDRYJSADK-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000619506986 555792673 /nfs/dbraw/zinc/79/26/73/555792673.db2.gz OTKRDEVYMDVIDH-UHFFFAOYSA-N 0 2 371.396 1.933 20 5 FDBDLN O=C(CSc1n[nH]c(=O)[nH]1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452870527 567873307 /nfs/dbraw/zinc/87/33/07/567873307.db2.gz ZNXSICMRMNDMHD-NSHDSACASA-N 0 2 363.399 1.917 20 5 FDBDLN NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436713374 568397629 /nfs/dbraw/zinc/39/76/29/568397629.db2.gz QYEIRZHNZNLKSI-CYBMUJFWSA-N 0 2 363.757 1.780 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000833221508 601018726 /nfs/dbraw/zinc/01/87/26/601018726.db2.gz GNHPLGLRFSLLMK-ZDUSSCGKSA-N 0 2 365.411 1.376 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000833221508 601018730 /nfs/dbraw/zinc/01/87/30/601018730.db2.gz GNHPLGLRFSLLMK-ZDUSSCGKSA-N 0 2 365.411 1.376 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739502775 601961242 /nfs/dbraw/zinc/96/12/42/601961242.db2.gz YFNPQSPEKLXNES-LLVKDONJSA-N 0 2 366.374 1.522 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739502775 601961245 /nfs/dbraw/zinc/96/12/45/601961245.db2.gz YFNPQSPEKLXNES-LLVKDONJSA-N 0 2 366.374 1.522 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740095558 602778606 /nfs/dbraw/zinc/77/86/06/602778606.db2.gz CNPCRTRYHPFKJL-RISCZKNCSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740095558 602778607 /nfs/dbraw/zinc/77/86/07/602778607.db2.gz CNPCRTRYHPFKJL-RISCZKNCSA-N 0 2 350.375 1.820 20 5 FDBDLN CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000273154921 674512363 /nfs/dbraw/zinc/51/23/63/674512363.db2.gz AGHQGDLIQXFRPI-GFCCVEGCSA-N 0 2 356.400 1.730 20 5 FDBDLN COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441747 603846725 /nfs/dbraw/zinc/84/67/25/603846725.db2.gz IFYISGSJYAAPLS-MNOVXSKESA-N 0 2 366.374 1.615 20 5 FDBDLN COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441747 603846729 /nfs/dbraw/zinc/84/67/29/603846729.db2.gz IFYISGSJYAAPLS-MNOVXSKESA-N 0 2 366.374 1.615 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[N@H+]1C ZINC000833586876 605402687 /nfs/dbraw/zinc/40/26/87/605402687.db2.gz HXENJWNNDTVAMS-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[N@@H+]1C ZINC000833586876 605402688 /nfs/dbraw/zinc/40/26/88/605402688.db2.gz HXENJWNNDTVAMS-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000278395664 675132412 /nfs/dbraw/zinc/13/24/12/675132412.db2.gz NKERMMYSKOIVCF-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ncccn3n2)ccc1Cl ZINC000170932731 672048692 /nfs/dbraw/zinc/04/86/92/672048692.db2.gz AXHVBORSPBJOSV-UHFFFAOYSA-N 0 2 354.735 1.487 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000288705421 676042791 /nfs/dbraw/zinc/04/27/91/676042791.db2.gz XBYSLFGQJUDMJQ-LURJTMIESA-N 0 2 356.278 1.611 20 5 FDBDLN O=C([O-])[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCSC1 ZINC000262067076 672720229 /nfs/dbraw/zinc/72/02/29/672720229.db2.gz BTYWTSZHTZRYFJ-HNNXBMFYSA-N 0 2 362.367 1.471 20 5 FDBDLN CCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)s1 ZINC000416412682 679611949 /nfs/dbraw/zinc/61/19/49/679611949.db2.gz ALLFKJGSAMSTMH-UHFFFAOYSA-N 0 2 372.384 1.596 20 5 FDBDLN CC[C@@H](CS(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)OC ZINC000421165420 680613159 /nfs/dbraw/zinc/61/31/59/680613159.db2.gz MPRLSGJLMFKALG-NSHDSACASA-N 0 2 360.388 1.857 20 5 FDBDLN CCc1ccc([C@@H](COC)NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])o1 ZINC000435804986 681637374 /nfs/dbraw/zinc/63/73/74/681637374.db2.gz ACVGPXVAVQBFSN-LLVKDONJSA-N 0 2 372.403 1.633 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436833590 681734974 /nfs/dbraw/zinc/73/49/74/681734974.db2.gz KDDBWVYNKRTSME-UHFFFAOYSA-N 0 2 356.381 1.695 20 5 FDBDLN CS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989529 681752149 /nfs/dbraw/zinc/75/21/49/681752149.db2.gz MMZSPXFBTINWBN-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1C ZINC000475795750 685643276 /nfs/dbraw/zinc/64/32/76/685643276.db2.gz XPPCYWGWKQNLNW-UHFFFAOYSA-N 0 2 357.319 1.660 20 5 FDBDLN CCn1cc(S(=O)(=O)N[C@](C)(C2CC2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000479131881 685998026 /nfs/dbraw/zinc/99/80/26/685998026.db2.gz PQOHEIZVJVIRFY-SNVBAGLBSA-N 0 2 356.326 1.821 20 5 FDBDLN CC(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nncn1C ZINC000510413919 689374920 /nfs/dbraw/zinc/37/49/20/689374920.db2.gz OCGPKVCLKYPUDE-NSHDSACASA-N 0 2 357.367 1.538 20 5 FDBDLN O=C(c1cccc2n[nH]cc21)N1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000969519381 770362230 /nfs/dbraw/zinc/36/22/30/770362230.db2.gz IUQKLASYFWZLMK-DDFXLWFNSA-N 0 2 369.381 1.044 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)NC[C@H]3C[C@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000980038625 806704550 /nfs/dbraw/zinc/70/45/50/806704550.db2.gz MKHUKHBPBQBSQI-NLRBGTRBSA-N 0 2 371.397 1.161 20 5 FDBDLN CC(C)c1nc(CN2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n[nH]1 ZINC000981765200 808451694 /nfs/dbraw/zinc/45/16/94/808451694.db2.gz USQPNRBNRMLPKN-CHWSQXEVSA-N 0 2 362.434 1.018 20 5 FDBDLN O=C(N[C@H]1CCN(C(=O)Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436727851 816693235 /nfs/dbraw/zinc/69/32/35/816693235.db2.gz DKFXLPKIVLFDKF-AWEZNQCLSA-N 0 2 369.377 1.874 20 5 FDBDLN CCNC(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436957843 816817925 /nfs/dbraw/zinc/81/79/25/816817925.db2.gz AZZTUAYXDOZCNL-UHFFFAOYSA-N 0 2 373.365 1.745 20 5 FDBDLN COCCCNC(=O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000507786799 820202221 /nfs/dbraw/zinc/20/22/21/820202221.db2.gz BKHJRNUREWRJIB-UHFFFAOYSA-N 0 2 365.386 1.305 20 5 FDBDLN COC(=O)c1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)cc([N+](=O)[O-])c1 ZINC000521696683 821334821 /nfs/dbraw/zinc/33/48/21/821334821.db2.gz UELTXWPEUJEPQU-UHFFFAOYSA-N 0 2 368.309 1.814 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467464925 824362724 /nfs/dbraw/zinc/36/27/24/824362724.db2.gz DNCYLRVMJWPZMF-UHFFFAOYSA-N 0 2 358.314 1.035 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000452442547 830668952 /nfs/dbraw/zinc/66/89/52/830668952.db2.gz WYMUKSLVZIEGHX-NWDGAFQWSA-N 0 2 355.350 1.722 20 5 FDBDLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000262739015 831177924 /nfs/dbraw/zinc/17/79/24/831177924.db2.gz HZIKSQJVBNBUIF-WFASDCNBSA-N 0 2 374.353 1.390 20 5 FDBDLN C[N@@H+](Cc1ncc(C2CC2)o1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964524 831933274 /nfs/dbraw/zinc/93/32/74/831933274.db2.gz NLSXELPTJSFKEV-HUUCEWRRSA-N 0 2 362.430 1.888 20 5 FDBDLN O=c1cc(I)nc(O[C@@H](C[N+](=O)[O-])C2CC2)[nH]1 ZINC001228950946 832602591 /nfs/dbraw/zinc/60/25/91/832602591.db2.gz QPYYFVKPJYLTNZ-LURJTMIESA-N 0 2 351.100 1.221 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1[N+](=O)[O-] ZINC000480186719 844893131 /nfs/dbraw/zinc/89/31/31/844893131.db2.gz AGFPPKMOTPOYBJ-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=c1[nH]nc(CCCNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)[nH]1 ZINC000462501404 868024120 /nfs/dbraw/zinc/02/41/20/868024120.db2.gz MSNAVHXJDXAUQU-UHFFFAOYSA-N 0 2 370.369 2.437 20 5 FDBDLN O=C(COCc1ccccn1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000806786037 940048429 /nfs/dbraw/zinc/04/84/29/940048429.db2.gz GCZPQWXTLLMEGU-UHFFFAOYSA-N 0 2 354.326 1.930 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000845445485 949226105 /nfs/dbraw/zinc/22/61/05/949226105.db2.gz BGFCLODEIVCTPT-NSHDSACASA-N 0 2 352.372 1.556 20 5 FDBDLN O=C(NC[C@@H](O)COc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000773349240 961719105 /nfs/dbraw/zinc/71/91/05/961719105.db2.gz JLDCCWNWZKFMMY-GFCCVEGCSA-N 0 2 350.302 1.609 20 5 FDBDLN O=C([O-])[C@]1([NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CCOC1 ZINC001348423069 962436264 /nfs/dbraw/zinc/43/62/64/962436264.db2.gz NWNMSSIFUBLPNU-SFHVURJKSA-N 0 2 372.381 1.509 20 5 FDBDLN CCO/C=C/[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000848179208 976433938 /nfs/dbraw/zinc/43/39/38/976433938.db2.gz OYGATFWCTBZOGZ-GFUIURDCSA-N 0 2 364.276 1.874 20 5 FDBDLN CC[N@H+]1[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC001596449137 984147481 /nfs/dbraw/zinc/14/74/81/984147481.db2.gz COUJOJBBLCEWKK-PHIMTYICSA-N 0 2 371.415 1.396 20 5 FDBDLN CC[N@@H+]1[C@H](C)CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC001596449137 984147484 /nfs/dbraw/zinc/14/74/84/984147484.db2.gz COUJOJBBLCEWKK-PHIMTYICSA-N 0 2 371.415 1.396 20 5 FDBDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001599961522 985791418 /nfs/dbraw/zinc/79/14/18/985791418.db2.gz ZPFVRPYFCBBBMZ-UHFFFAOYSA-N 0 2 361.358 1.646 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cncnc2)cc1[N+](=O)[O-] ZINC000777651258 1001202482 /nfs/dbraw/zinc/20/24/82/1001202482.db2.gz RBXDCDFCVQTUQR-UHFFFAOYSA-N 0 2 353.316 1.364 20 5 FDBDLN O=C(NCC1CCN(C(=O)c2cccc3n[nH]cc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000949226704 1003120271 /nfs/dbraw/zinc/12/02/71/1003120271.db2.gz KHJAWOIGNBMMSE-CZUORRHYSA-N 0 2 371.397 1.197 20 5 FDBDLN CC(C)c1cc(C(=O)N2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC000949539343 1003461703 /nfs/dbraw/zinc/46/17/03/1003461703.db2.gz DQRCHVKSEVDPSV-IUODEOHRSA-N 0 2 363.418 1.167 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCN2CCCC2)c1 ZINC000795773897 1008220982 /nfs/dbraw/zinc/22/09/82/1008220982.db2.gz JLIAQMQPZLKAQB-UHFFFAOYSA-N 0 2 351.787 1.761 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000516693356 539025843 /nfs/dbraw/zinc/02/58/43/539025843.db2.gz ITAKJCSDXDCXRE-UHFFFAOYSA-N 0 2 367.339 1.008 20 5 FDBDLN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000517719161 539378573 /nfs/dbraw/zinc/37/85/73/539378573.db2.gz NJNISNDTFYKWFO-UHFFFAOYSA-N 0 2 354.322 1.911 20 5 FDBDLN Cc1nn(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000264498451 179123202 /nfs/dbraw/zinc/12/32/02/179123202.db2.gz XAPDYCDDBZTGCM-UHFFFAOYSA-N 0 2 355.332 1.654 20 5 FDBDLN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000533159845 540209349 /nfs/dbraw/zinc/20/93/49/540209349.db2.gz AOVUGVHAEANWEI-UHFFFAOYSA-N 0 2 369.333 1.669 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2ccccc2S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000538756077 540888211 /nfs/dbraw/zinc/88/82/11/540888211.db2.gz HBYGAMPSNZFSKE-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538823030 540895728 /nfs/dbraw/zinc/89/57/28/540895728.db2.gz FMCUOMZWSUGVDP-UHFFFAOYSA-N 0 2 360.374 1.627 20 5 FDBDLN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000543719987 541645194 /nfs/dbraw/zinc/64/51/94/541645194.db2.gz NTANJNYCMWKFAD-LBPRGKRZSA-N 0 2 352.343 1.485 20 5 FDBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1S(N)(=O)=O ZINC000543749733 541651933 /nfs/dbraw/zinc/65/19/33/541651933.db2.gz JKEQGGNYOBAHDV-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN COC(=O)c1cnn(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000295238431 184048065 /nfs/dbraw/zinc/04/80/65/184048065.db2.gz UPGKNCLAJPGNKY-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2O1 ZINC000548445054 542669760 /nfs/dbraw/zinc/66/97/60/542669760.db2.gz NGEJBRQMJPKRRF-HNNXBMFYSA-N 0 2 358.306 1.881 20 5 FDBDLN C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552136847 543423743 /nfs/dbraw/zinc/42/37/43/543423743.db2.gz QZDJIYDACHMUPJ-NSHDSACASA-N 0 2 368.349 1.829 20 5 FDBDLN C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)CC1 ZINC000184356260 258380956 /nfs/dbraw/zinc/38/09/56/258380956.db2.gz HKOCSKYGSAQYOM-UHFFFAOYSA-N 0 2 362.430 1.589 20 5 FDBDLN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557649703 544323961 /nfs/dbraw/zinc/32/39/61/544323961.db2.gz GRYXBPUUOGDQLO-UHFFFAOYSA-N 0 2 369.333 1.717 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000367585864 260065255 /nfs/dbraw/zinc/06/52/55/260065255.db2.gz FNBFUKWQARPEDA-NHYWBVRUSA-N 0 2 359.382 1.916 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)s1 ZINC000367707037 260080258 /nfs/dbraw/zinc/08/02/58/260080258.db2.gz VGFQQOLCLDJTFD-UHFFFAOYSA-N 0 2 352.357 1.433 20 5 FDBDLN NC(=O)c1cc2c([nH]c1=O)CCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000370363942 260532828 /nfs/dbraw/zinc/53/28/28/260532828.db2.gz AVIXEYUDDIGJIS-GFCCVEGCSA-N 0 2 372.337 1.307 20 5 FDBDLN O=c1[nH]nc(C2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)[nH]1 ZINC000374001735 261063953 /nfs/dbraw/zinc/06/39/53/261063953.db2.gz KJNPKMLETBGPGM-UHFFFAOYSA-N 0 2 369.179 1.960 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(N)=O)cc1 ZINC000026233472 519109288 /nfs/dbraw/zinc/10/92/88/519109288.db2.gz GJCDEJAKPCKBOI-UHFFFAOYSA-N 0 2 366.355 1.895 20 5 FDBDLN Cc1nn(Cc2ccc(C(=O)Nc3nncn3C)cc2)c(C)c1[N+](=O)[O-] ZINC000156962377 524181196 /nfs/dbraw/zinc/18/11/96/524181196.db2.gz YLXDKYUOCZCBGA-UHFFFAOYSA-N 0 2 355.358 1.837 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1-n1cncn1 ZINC000158723171 524517245 /nfs/dbraw/zinc/51/72/45/524517245.db2.gz CDDXNPOJMGSHIE-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN Cn1cnn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)c1=O ZINC000092771796 524915341 /nfs/dbraw/zinc/91/53/41/524915341.db2.gz XAVUUFSBEKNPSG-UHFFFAOYSA-N 0 2 355.310 1.437 20 5 FDBDLN Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000125150684 525152084 /nfs/dbraw/zinc/15/20/84/525152084.db2.gz SHKVDFQLLSZTCK-MRXNPFEDSA-N 0 2 355.350 1.922 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncnc1-n1cccn1 ZINC000163316191 525388955 /nfs/dbraw/zinc/38/89/55/525388955.db2.gz TWEMDXIJHBDRPE-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000154524045 525561699 /nfs/dbraw/zinc/56/16/99/525561699.db2.gz QPLTYRBVTBFONU-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179489305 525592242 /nfs/dbraw/zinc/59/22/42/525592242.db2.gz UTNOOJNZFKMCBH-HNNXBMFYSA-N 0 2 357.366 1.730 20 5 FDBDLN CNS(=O)(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])c(O)c1)n2C ZINC000154892337 525674594 /nfs/dbraw/zinc/67/45/94/525674594.db2.gz ZJRDTQKUGXOQCP-UHFFFAOYSA-N 0 2 362.367 1.762 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C ZINC000133890627 526103575 /nfs/dbraw/zinc/10/35/75/526103575.db2.gz CGWZPOQTQWSDCK-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN COCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000182348222 526142574 /nfs/dbraw/zinc/14/25/74/526142574.db2.gz AVRVPQJSUORDRM-UHFFFAOYSA-N 0 2 358.351 1.686 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000192215260 537222412 /nfs/dbraw/zinc/22/24/12/537222412.db2.gz AHUGYIYLFPOIFK-HNNXBMFYSA-N 0 2 373.340 1.970 20 5 FDBDLN CN(C)c1noc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000193974633 537257657 /nfs/dbraw/zinc/25/76/57/537257657.db2.gz DZJRDPOANBACIY-UHFFFAOYSA-N 0 2 361.767 1.176 20 5 FDBDLN CCOC(=O)c1csc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000276361679 537450875 /nfs/dbraw/zinc/45/08/75/537450875.db2.gz POQAGUMMYTXGBW-UHFFFAOYSA-N 0 2 365.367 1.906 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000392672397 537783200 /nfs/dbraw/zinc/78/32/00/537783200.db2.gz LFWCNFRYOXAEDX-UHFFFAOYSA-N 0 2 350.352 1.634 20 5 FDBDLN CN(C)C(=O)Cn1ccc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000413165271 538070957 /nfs/dbraw/zinc/07/09/57/538070957.db2.gz RWFCWKDOHJJFIP-UHFFFAOYSA-N 0 2 358.280 2.037 20 5 FDBDLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1C ZINC000461105754 538503216 /nfs/dbraw/zinc/50/32/16/538503216.db2.gz FYFFUMBNXRREDX-UHFFFAOYSA-N 0 2 368.371 1.334 20 5 FDBDLN CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000461458960 538518844 /nfs/dbraw/zinc/51/88/44/538518844.db2.gz XHWUPIFVNIMHBM-UHFFFAOYSA-N 0 2 367.339 1.166 20 5 FDBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000467774631 538686750 /nfs/dbraw/zinc/68/67/50/538686750.db2.gz WEAWTFJEHGEARP-UHFFFAOYSA-N 0 2 352.324 1.872 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000479739980 538831896 /nfs/dbraw/zinc/83/18/96/538831896.db2.gz HGZRUNDIGIBQEY-UHFFFAOYSA-N 0 2 368.353 1.961 20 5 FDBDLN CCOc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905575 538851562 /nfs/dbraw/zinc/85/15/62/538851562.db2.gz KMZNJJSVOPSRSZ-HIFRSBDPSA-N 0 2 364.446 1.984 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000476424013 538867635 /nfs/dbraw/zinc/86/76/35/538867635.db2.gz FAGORDDLBXSFRB-UHFFFAOYSA-N 0 2 350.356 1.479 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H](OC)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000565659453 547435186 /nfs/dbraw/zinc/43/51/86/547435186.db2.gz UNMDLYLXJIRXNB-CQSZACIVSA-N 0 2 372.399 1.857 20 5 FDBDLN CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000571808723 549770224 /nfs/dbraw/zinc/77/02/24/549770224.db2.gz JKWAWRCVDLLLHP-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000576986919 550607778 /nfs/dbraw/zinc/60/77/78/550607778.db2.gz HHBOZDWCCSXHQF-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000580433869 550982000 /nfs/dbraw/zinc/98/20/00/550982000.db2.gz ZBVQRMPIOHPWJX-UHFFFAOYSA-N 0 2 357.794 1.794 20 5 FDBDLN CC1(C)COCC[N@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000580433869 550982001 /nfs/dbraw/zinc/98/20/01/550982001.db2.gz ZBVQRMPIOHPWJX-UHFFFAOYSA-N 0 2 357.794 1.794 20 5 FDBDLN CS(=O)(=O)NC1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CCCCC1 ZINC000585916555 551611717 /nfs/dbraw/zinc/61/17/17/551611717.db2.gz YURVMGDOJFOXDI-UHFFFAOYSA-N 0 2 371.415 1.282 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c[nH]1 ZINC000591260774 551854660 /nfs/dbraw/zinc/85/46/60/551854660.db2.gz DGHXHTQTRQUQOT-UHFFFAOYSA-N 0 2 368.371 1.912 20 5 FDBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C(=O)N=c1ncn(C(C)C)[nH]1 ZINC000593594216 552146488 /nfs/dbraw/zinc/14/64/88/552146488.db2.gz PSJJYGSMHVNFLS-UHFFFAOYSA-N 0 2 374.401 2.143 20 5 FDBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000594730867 552366147 /nfs/dbraw/zinc/36/61/47/552366147.db2.gz SIWSKKXWPGSWBJ-UHFFFAOYSA-N 0 2 368.371 1.707 20 5 FDBDLN CO[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C(=O)[O-])C1 ZINC000595279924 552511379 /nfs/dbraw/zinc/51/13/79/552511379.db2.gz HGBWEHJVTBYTMB-CHWSQXEVSA-N 0 2 362.342 1.709 20 5 FDBDLN CO[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H](C(=O)[O-])C1 ZINC000595279924 552511381 /nfs/dbraw/zinc/51/13/81/552511381.db2.gz HGBWEHJVTBYTMB-CHWSQXEVSA-N 0 2 362.342 1.709 20 5 FDBDLN CCOC(=O)C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000598053924 552861542 /nfs/dbraw/zinc/86/15/42/552861542.db2.gz KWXKPSOEAPEBGZ-JTQLQIEISA-N 0 2 350.249 1.914 20 5 FDBDLN NS(=O)(=O)c1ccc(C(=O)N2CCC3CCC(C2)S3)cc1[N+](=O)[O-] ZINC000600271691 553240231 /nfs/dbraw/zinc/24/02/31/553240231.db2.gz NFNFFDWRHRFXBQ-MNOVXSKESA-N 0 2 371.440 1.352 20 5 FDBDLN COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600424304 553265091 /nfs/dbraw/zinc/26/50/91/553265091.db2.gz BKCZXRFKGHIVFQ-CMPLNLGQSA-N 0 2 352.343 1.389 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)n1 ZINC000600669070 553297137 /nfs/dbraw/zinc/29/71/37/553297137.db2.gz YIUVVGRUIAKJSR-UHFFFAOYSA-N 0 2 355.380 1.226 20 5 FDBDLN O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000600682035 553299627 /nfs/dbraw/zinc/29/96/27/553299627.db2.gz IXMUSNAJRFLQTK-CQSZACIVSA-N 0 2 372.381 1.326 20 5 FDBDLN O=C(NCC[C@@H](O)COCc1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000600800780 553315933 /nfs/dbraw/zinc/31/59/33/553315933.db2.gz DLQBYDFYPLQBAP-OAHLLOKOSA-N 0 2 360.366 1.998 20 5 FDBDLN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N=c2cccn[nH]2)ccc1[N+](=O)[O-] ZINC000609860979 554430863 /nfs/dbraw/zinc/43/08/63/554430863.db2.gz IZTWLHJADASOBZ-CQSZACIVSA-N 0 2 355.354 1.937 20 5 FDBDLN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294677 554623820 /nfs/dbraw/zinc/62/38/20/554623820.db2.gz RWZRHBLNRQQUES-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000616342366 555293645 /nfs/dbraw/zinc/29/36/45/555293645.db2.gz ADSYXHPKHBODEW-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cncn2)cn1 ZINC000616346218 555293949 /nfs/dbraw/zinc/29/39/49/555293949.db2.gz NYFKSOWISSJUPD-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000619873006 555847335 /nfs/dbraw/zinc/84/73/35/555847335.db2.gz VEDRSMGOHGWVMH-UHFFFAOYSA-N 0 2 361.358 1.599 20 5 FDBDLN O=C(NCCc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436648248 568230323 /nfs/dbraw/zinc/23/03/23/568230323.db2.gz NUMFJVUCGYKQAC-UHFFFAOYSA-N 0 2 354.326 1.249 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000832856176 601260574 /nfs/dbraw/zinc/26/05/74/601260574.db2.gz JRWRRJSQVKWXNT-LLVKDONJSA-N 0 2 371.415 1.073 20 5 FDBDLN O=C([O-])N1CC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740425592 602417602 /nfs/dbraw/zinc/41/76/02/602417602.db2.gz FGYHGEKFYKFFMC-GFCCVEGCSA-N 0 2 373.369 1.900 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740174950 602768265 /nfs/dbraw/zinc/76/82/65/602768265.db2.gz POZYTWSBQGEOEN-VXGBXAGGSA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000740174950 602768267 /nfs/dbraw/zinc/76/82/67/602768267.db2.gz POZYTWSBQGEOEN-VXGBXAGGSA-N 0 2 350.375 1.820 20 5 FDBDLN O=C([O-])N1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000739388812 603204604 /nfs/dbraw/zinc/20/46/04/603204604.db2.gz SVNMCKCYMFZTKM-GFCCVEGCSA-N 0 2 359.342 1.653 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829224138 603535528 /nfs/dbraw/zinc/53/55/28/603535528.db2.gz HGFYABHUPICFEW-LLVKDONJSA-N 0 2 352.347 1.226 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000829224138 603535531 /nfs/dbraw/zinc/53/55/31/603535531.db2.gz HGFYABHUPICFEW-LLVKDONJSA-N 0 2 352.347 1.226 20 5 FDBDLN Cc1nn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c(-c2nn[nH]n2)c1C ZINC000822501182 607161169 /nfs/dbraw/zinc/16/11/69/607161169.db2.gz ZOFUJIHGWHGAAC-UHFFFAOYSA-N 0 2 361.749 1.650 20 5 FDBDLN O=C(CNc1ccc(-c2nn[nH]n2)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826413183 608166817 /nfs/dbraw/zinc/16/68/17/608166817.db2.gz VHDRQBULDNXEGD-UHFFFAOYSA-N 0 2 355.314 1.531 20 5 FDBDLN O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000178797375 672148178 /nfs/dbraw/zinc/14/81/78/672148178.db2.gz OKPQXOVLFNGMKO-UHFFFAOYSA-N 0 2 364.383 1.640 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)NCCCc2cn[nH]c2C)cc1[N+](=O)[O-] ZINC000296221101 676416579 /nfs/dbraw/zinc/41/65/79/676416579.db2.gz WVGCFFTXXALKPK-UHFFFAOYSA-N 0 2 372.378 1.685 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2nc3c(s2)COCC3)ccc1[N+](=O)[O-] ZINC000363940872 676979798 /nfs/dbraw/zinc/97/97/98/676979798.db2.gz QDPVZKUGXZJROD-UHFFFAOYSA-N 0 2 371.396 1.933 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000436899276 681742294 /nfs/dbraw/zinc/74/22/94/681742294.db2.gz JQCNXMVUWUTQCN-VIFPVBQESA-N 0 2 352.265 1.048 20 5 FDBDLN O=C(Nc1nc(CN2CCOCC2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000436971161 681749747 /nfs/dbraw/zinc/74/97/47/681749747.db2.gz HMBAFDPKVUEPIN-UHFFFAOYSA-N 0 2 364.383 1.841 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cccnc2N(C)C)ccc1[N+](=O)[O-] ZINC000438223778 681846113 /nfs/dbraw/zinc/84/61/13/681846113.db2.gz FUSOARYCYSZARK-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1C ZINC000451106931 682819584 /nfs/dbraw/zinc/81/95/84/682819584.db2.gz MWIZNTHLJODCHP-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000479106945 685995606 /nfs/dbraw/zinc/99/56/06/685995606.db2.gz JVQADIBMAKRVDI-UHFFFAOYSA-N 0 2 350.356 1.459 20 5 FDBDLN CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000503486010 688361139 /nfs/dbraw/zinc/36/11/39/688361139.db2.gz IVKAHRRTPZEFPG-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000508132844 688711123 /nfs/dbraw/zinc/71/11/23/688711123.db2.gz ONNBZCDGQKLTHY-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(CC(F)(F)C(F)F)CC1 ZINC000512935975 689648759 /nfs/dbraw/zinc/64/87/59/689648759.db2.gz OWTCATFUYUZHFK-UHFFFAOYSA-N 0 2 365.283 1.959 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C(=O)[O-])O1 ZINC000262095933 774687481 /nfs/dbraw/zinc/68/74/81/774687481.db2.gz BOPYRRDTOOXYEK-YGRLFVJLSA-N 0 2 360.326 1.095 20 5 FDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccncc1 ZINC000376950952 790895472 /nfs/dbraw/zinc/89/54/72/790895472.db2.gz UEZGNQFFEMWZTG-ZDUSSCGKSA-N 0 2 356.338 1.939 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436966711 810129218 /nfs/dbraw/zinc/12/92/18/810129218.db2.gz OXCGZUQWCHSQLP-HNNXBMFYSA-N 0 2 355.350 1.831 20 5 FDBDLN NC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000436990019 816835895 /nfs/dbraw/zinc/83/58/95/816835895.db2.gz OBJLRYXGDYOFRY-UHFFFAOYSA-N 0 2 370.365 1.362 20 5 FDBDLN CS(=O)(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000760198180 832031489 /nfs/dbraw/zinc/03/14/89/832031489.db2.gz VEWLWANMRZJAFS-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000490587008 861577801 /nfs/dbraw/zinc/57/78/01/861577801.db2.gz NTBFSGGWPOUVQR-UHFFFAOYSA-N 0 2 359.294 1.398 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c1C ZINC000480690990 845618055 /nfs/dbraw/zinc/61/80/55/845618055.db2.gz BSIVKYPFIBGSGM-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000497509057 883308538 /nfs/dbraw/zinc/30/85/38/883308538.db2.gz JGHPQXCJXURCJB-JTQLQIEISA-N 0 2 368.292 1.748 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)s1 ZINC000921863341 892191719 /nfs/dbraw/zinc/19/17/19/892191719.db2.gz WBVLGUWXDXYLJY-HZGVNTEJSA-N 0 2 360.335 1.902 20 5 FDBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)NCCN2CCCC2)cc1Cl ZINC000809807005 940899015 /nfs/dbraw/zinc/89/90/15/940899015.db2.gz YPSCOPYNNXFYEP-UHFFFAOYSA-N 0 2 351.787 1.761 20 5 FDBDLN CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000819553037 943643788 /nfs/dbraw/zinc/64/37/88/943643788.db2.gz UYYOUMSSTNBQEM-LLVKDONJSA-N 0 2 369.374 1.258 20 5 FDBDLN Cc1cc(=O)c(C(=O)NC2=NC[C@H](C)S2)nn1-c1ccccc1[N+](=O)[O-] ZINC000819768077 943719945 /nfs/dbraw/zinc/71/99/45/943719945.db2.gz NZDCGVNSTCZLTM-JTQLQIEISA-N 0 2 373.394 1.670 20 5 FDBDLN Cn1nccc1[C@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000857368314 971740397 /nfs/dbraw/zinc/74/03/97/971740397.db2.gz DRIKRJRLOHDTQH-MRXNPFEDSA-N 0 2 360.370 1.620 20 5 FDBDLN COC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000773212926 958602873 /nfs/dbraw/zinc/60/28/73/958602873.db2.gz HDQUECMHXGUSNK-UHFFFAOYSA-N 0 2 352.343 1.485 20 5 FDBDLN CCN(Cc1nonc1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713101 1013854922 /nfs/dbraw/zinc/85/49/22/1013854922.db2.gz MAMABUIVEUGEPQ-UKRRQHHQSA-N 0 2 351.407 1.104 20 5 FDBDLN CCO/C=C/[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000848179213 976433075 /nfs/dbraw/zinc/43/30/75/976433075.db2.gz OYGATFWCTBZOGZ-URWSZGRFSA-N 0 2 364.276 1.874 20 5 FDBDLN CCN(C(=O)c1[nH]nc2ccc(C)cc21)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000968127882 1014684862 /nfs/dbraw/zinc/68/48/62/1014684862.db2.gz MWDQAOFVFDMOMJ-UKRRQHHQSA-N 0 2 371.397 1.209 20 5 FDBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000298783053 990280359 /nfs/dbraw/zinc/28/03/59/990280359.db2.gz AAERZWZFMRCZAN-ZMLRMANQSA-N 0 2 361.354 1.803 20 5 FDBDLN CN(C)c1noc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)n1 ZINC000194455852 178212275 /nfs/dbraw/zinc/21/22/75/178212275.db2.gz GORKFJPSOZAAMZ-NSHDSACASA-N 0 2 361.358 1.769 20 5 FDBDLN COC(=O)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000511161828 538958475 /nfs/dbraw/zinc/95/84/75/538958475.db2.gz PHFDYQPEEZKGEN-GFCCVEGCSA-N 0 2 374.349 1.768 20 5 FDBDLN C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)S1 ZINC000269385208 180290493 /nfs/dbraw/zinc/29/04/93/180290493.db2.gz ZJPWBLPRKVZMEN-SNVBAGLBSA-N 0 2 350.400 1.550 20 5 FDBDLN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000271324314 180600149 /nfs/dbraw/zinc/60/01/49/180600149.db2.gz YAJDNQFLEAKZKJ-SECBINFHSA-N 0 2 363.399 1.737 20 5 FDBDLN CCN(CC)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274583787 181127221 /nfs/dbraw/zinc/12/72/21/181127221.db2.gz AYGRZBYIUFZMOT-UHFFFAOYSA-N 0 2 350.375 1.520 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n(-c2ncccn2)n1 ZINC000531516495 540102718 /nfs/dbraw/zinc/10/27/18/540102718.db2.gz NRMQAJYPCIMIQB-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274908806 181192332 /nfs/dbraw/zinc/19/23/32/181192332.db2.gz XFFOGRZBFFANAU-CYBMUJFWSA-N 0 2 367.427 1.978 20 5 FDBDLN C[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C1CC1 ZINC000275133343 181247295 /nfs/dbraw/zinc/24/72/95/181247295.db2.gz IYDPGLJJPNEEJM-SECBINFHSA-N 0 2 355.372 1.628 20 5 FDBDLN COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000534903645 540425450 /nfs/dbraw/zinc/42/54/50/540425450.db2.gz XCPKRGQBXAVVKG-SSDOTTSWSA-N 0 2 356.278 1.209 20 5 FDBDLN CC1CCC(NS(=O)(=O)CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000536192178 540564160 /nfs/dbraw/zinc/56/41/60/540564160.db2.gz MBZVTGMTEBANCO-UHFFFAOYSA-N 0 2 371.415 1.737 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C)c([N+](=O)[O-])c1 ZINC000536416650 540591018 /nfs/dbraw/zinc/59/10/18/540591018.db2.gz XICQOBYDELOCMG-UHFFFAOYSA-N 0 2 354.344 1.522 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)nc1 ZINC000538941149 540911788 /nfs/dbraw/zinc/91/17/88/540911788.db2.gz UYFAZHQMYOLCMI-UHFFFAOYSA-N 0 2 350.356 1.452 20 5 FDBDLN COc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cccc1C(N)=O ZINC000542054443 541326887 /nfs/dbraw/zinc/32/68/87/541326887.db2.gz WIAVYHFNSBZAHR-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COCc1nc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s[n-]1 ZINC000542457140 541408930 /nfs/dbraw/zinc/40/89/30/541408930.db2.gz LOXRLYHSYVELIK-UHFFFAOYSA-N 0 2 360.355 1.453 20 5 FDBDLN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1ncc([N+](=O)[O-])cn1 ZINC000545472111 541979567 /nfs/dbraw/zinc/97/95/67/541979567.db2.gz BJXRRLFUWHVDEG-JTQLQIEISA-N 0 2 352.376 1.301 20 5 FDBDLN CN(C[C@@H]1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000286502112 183083098 /nfs/dbraw/zinc/08/30/98/183083098.db2.gz XHUHINOGVGJPAM-NSHDSACASA-N 0 2 371.415 1.044 20 5 FDBDLN Cc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000552197544 543436002 /nfs/dbraw/zinc/43/60/02/543436002.db2.gz RUKSZPIJDMKMNM-UHFFFAOYSA-N 0 2 364.379 1.942 20 5 FDBDLN CCn1c(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n[nH]c1=S ZINC000067076709 172005229 /nfs/dbraw/zinc/00/52/29/172005229.db2.gz KUGXCVOGHIUWIF-UHFFFAOYSA-N 0 2 361.387 1.718 20 5 FDBDLN O=c1[nH]ncn1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000130661022 173176931 /nfs/dbraw/zinc/17/69/31/173176931.db2.gz QEPXIAMHMWBIPE-UHFFFAOYSA-N 0 2 361.339 1.270 20 5 FDBDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263994283 258410556 /nfs/dbraw/zinc/41/05/56/258410556.db2.gz IVYTVZFIVJYBSU-UHFFFAOYSA-N 0 2 368.371 1.517 20 5 FDBDLN COc1ccc(CC(=O)N=c2ccc(-c3cnn(C)c3)n[nH]2)cc1[N+](=O)[O-] ZINC000556111440 544098247 /nfs/dbraw/zinc/09/82/47/544098247.db2.gz FSYFCPRSGDJXDV-UHFFFAOYSA-N 0 2 368.353 1.975 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374956524 261234698 /nfs/dbraw/zinc/23/46/98/261234698.db2.gz ZPPCGCWWLYNRCC-GFCCVEGCSA-N 0 2 350.371 1.958 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000378417553 262021290 /nfs/dbraw/zinc/02/12/90/262021290.db2.gz PCKWEDJDUDWNEU-GFCCVEGCSA-N 0 2 351.384 1.941 20 5 FDBDLN NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000016101316 518744519 /nfs/dbraw/zinc/74/45/19/518744519.db2.gz RHWPBAIBNKOIAS-UHFFFAOYSA-N 0 2 357.369 1.043 20 5 FDBDLN O=C(NCc1cc[nH+]c(N2CCOCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025291073 519051715 /nfs/dbraw/zinc/05/17/15/519051715.db2.gz GCEJJCKCRFCLKE-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029799887 519321483 /nfs/dbraw/zinc/32/14/83/519321483.db2.gz VZMVABXNNIVWHV-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN O=C(Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1)NC1CCCC1 ZINC000061636101 522482096 /nfs/dbraw/zinc/48/20/96/522482096.db2.gz YRBCPZUEUICDQL-UHFFFAOYSA-N 0 2 373.369 1.808 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n(-c2ncccn2)n1 ZINC000128575923 525557099 /nfs/dbraw/zinc/55/70/99/525557099.db2.gz MSJDKVRFCZRHTK-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000171155960 525874663 /nfs/dbraw/zinc/87/46/63/525874663.db2.gz KOPUFWFRYGPKAI-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN Cc1nnnn1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000185022174 536195965 /nfs/dbraw/zinc/19/59/65/536195965.db2.gz BDALZCYCUGKUQQ-UHFFFAOYSA-N 0 2 358.289 1.976 20 5 FDBDLN O=C([O-])C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOC1 ZINC000262857000 536921923 /nfs/dbraw/zinc/92/19/23/536921923.db2.gz FCIRQXKSUSVWEI-INIZCTEOSA-N 0 2 360.326 1.144 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188715722 536933647 /nfs/dbraw/zinc/93/36/47/536933647.db2.gz WRSBQYYOVXKNQO-NSHDSACASA-N 0 2 353.423 1.188 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188715722 536933652 /nfs/dbraw/zinc/93/36/52/536933652.db2.gz WRSBQYYOVXKNQO-NSHDSACASA-N 0 2 353.423 1.188 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000262911145 536935937 /nfs/dbraw/zinc/93/59/37/536935937.db2.gz ITCHDEOKWHJBPX-YPMHNXCESA-N 0 2 358.354 1.963 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC000262911139 536936176 /nfs/dbraw/zinc/93/61/76/536936176.db2.gz ITCHDEOKWHJBPX-AAEUAGOBSA-N 0 2 358.354 1.963 20 5 FDBDLN O=C([O-])C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCOCC1 ZINC000262944257 536944980 /nfs/dbraw/zinc/94/49/80/536944980.db2.gz LWUWTYBNIHYBJQ-UHFFFAOYSA-N 0 2 374.353 1.392 20 5 FDBDLN O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271539860 537454844 /nfs/dbraw/zinc/45/48/44/537454844.db2.gz OCGHZEOJHCDXAY-UHFFFAOYSA-N 0 2 362.342 1.494 20 5 FDBDLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000372496536 537964560 /nfs/dbraw/zinc/96/45/60/537964560.db2.gz QABQLXHJXHXRCZ-UHFFFAOYSA-N 0 2 366.384 1.946 20 5 FDBDLN Cc1ccsc1-c1nc(=NC(=O)Cn2cc([N+](=O)[O-])cn2)s[nH]1 ZINC000472268932 538613835 /nfs/dbraw/zinc/61/38/35/538613835.db2.gz LFMSVIGMCNFMMX-UHFFFAOYSA-N 0 2 350.385 1.740 20 5 FDBDLN Cc1cnc(N)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000501256787 538648686 /nfs/dbraw/zinc/64/86/86/538648686.db2.gz LYKAEDXAQHTRCD-UHFFFAOYSA-N 0 2 367.387 1.085 20 5 FDBDLN CCS(=O)(=O)N1CCc2cc(C(=O)Cn3cc([N+](=O)[O-])cn3)ccc21 ZINC000489455906 538814247 /nfs/dbraw/zinc/81/42/47/538814247.db2.gz HCBNCAKLLPJTEI-UHFFFAOYSA-N 0 2 364.383 1.386 20 5 FDBDLN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563192229 546439227 /nfs/dbraw/zinc/43/92/27/546439227.db2.gz FVQKCNQIGZGBPN-UHFFFAOYSA-N 0 2 361.314 1.167 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H](OC)C2CC2)cc([N+](=O)[O-])c1 ZINC000566229927 547671971 /nfs/dbraw/zinc/67/19/71/547671971.db2.gz ULOYOKVZINQEMI-ZDUSSCGKSA-N 0 2 358.372 1.548 20 5 FDBDLN CC[C@@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566316642 547708424 /nfs/dbraw/zinc/70/84/24/547708424.db2.gz IICSBFYACDWMCQ-GFCCVEGCSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566316642 547708426 /nfs/dbraw/zinc/70/84/26/547708426.db2.gz IICSBFYACDWMCQ-GFCCVEGCSA-N 0 2 371.415 1.398 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)ccc1[N+](=O)[O-] ZINC000566829134 547898796 /nfs/dbraw/zinc/89/87/96/547898796.db2.gz DONQVLDHDQUWNI-UHFFFAOYSA-N 0 2 364.339 1.986 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000573162976 550077871 /nfs/dbraw/zinc/07/78/71/550077871.db2.gz ZMBOGQNONJYIPE-LLVKDONJSA-N 0 2 360.374 1.545 20 5 FDBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)sc1S(N)(=O)=O ZINC000582317371 551206461 /nfs/dbraw/zinc/20/64/61/551206461.db2.gz OGXBPQPJFIIMME-UHFFFAOYSA-N 0 2 373.368 1.270 20 5 FDBDLN CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000586791938 551620096 /nfs/dbraw/zinc/62/00/96/551620096.db2.gz RXLSQVDRRMHTIV-CYBMUJFWSA-N 0 2 352.343 1.483 20 5 FDBDLN Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595967932 552639904 /nfs/dbraw/zinc/63/99/04/552639904.db2.gz KXDDNUCADGDCQC-FZKQIMNGSA-N 0 2 370.365 1.898 20 5 FDBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596019692 552644810 /nfs/dbraw/zinc/64/48/10/552644810.db2.gz AYTHICWFSCYROA-UHFFFAOYSA-N 0 2 359.795 1.982 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C(F)F)C2CCCCC2)n1 ZINC000599356275 553035597 /nfs/dbraw/zinc/03/55/97/553035597.db2.gz KTSYGSAXQZIDMA-JTQLQIEISA-N 0 2 352.363 1.821 20 5 FDBDLN COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600464172 553272293 /nfs/dbraw/zinc/27/22/93/553272293.db2.gz YTZAFKIKCBPIGE-GXFFZTMASA-N 0 2 352.343 1.389 20 5 FDBDLN C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000600668512 553297213 /nfs/dbraw/zinc/29/72/13/553297213.db2.gz YFRATIXMMROSJY-VIFPVBQESA-N 0 2 352.372 1.361 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000618609141 555655050 /nfs/dbraw/zinc/65/50/50/555655050.db2.gz RGAIDBRVQPXPHY-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cn1C ZINC000619467982 555782441 /nfs/dbraw/zinc/78/24/41/555782441.db2.gz QRCJQZPYYWARPT-UHFFFAOYSA-N 0 2 369.355 1.529 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)o1 ZINC000619507821 555792407 /nfs/dbraw/zinc/79/24/07/555792407.db2.gz XTEFICGMKVZKTD-UHFFFAOYSA-N 0 2 358.332 1.324 20 5 FDBDLN O=C([O-])C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000833248948 600856142 /nfs/dbraw/zinc/85/61/42/600856142.db2.gz JMAZKTLBVMTRTM-UHFFFAOYSA-N 0 2 362.342 1.710 20 5 FDBDLN O=C([O-])C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000833248948 600856143 /nfs/dbraw/zinc/85/61/43/600856143.db2.gz JMAZKTLBVMTRTM-UHFFFAOYSA-N 0 2 362.342 1.710 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000833247604 601045392 /nfs/dbraw/zinc/04/53/92/601045392.db2.gz QCJIWVRQGVJUBI-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000833247604 601045393 /nfs/dbraw/zinc/04/53/93/601045393.db2.gz QCJIWVRQGVJUBI-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739922392 601962681 /nfs/dbraw/zinc/96/26/81/601962681.db2.gz XRCLSXOYZHHAPR-JTQLQIEISA-N 0 2 352.347 1.131 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739922392 601962682 /nfs/dbraw/zinc/96/26/82/601962682.db2.gz XRCLSXOYZHHAPR-JTQLQIEISA-N 0 2 352.347 1.131 20 5 FDBDLN Cn1ccnc1C[N@@H+]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833761162 605183418 /nfs/dbraw/zinc/18/34/18/605183418.db2.gz YTKRQZCZWSYLAO-UHFFFAOYSA-N 0 2 359.386 1.739 20 5 FDBDLN Cn1ccnc1C[N@H+]1CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000833761162 605183419 /nfs/dbraw/zinc/18/34/19/605183419.db2.gz YTKRQZCZWSYLAO-UHFFFAOYSA-N 0 2 359.386 1.739 20 5 FDBDLN Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829880027 605741727 /nfs/dbraw/zinc/74/17/27/605741727.db2.gz BIYGNVKWJHDDBG-LLVKDONJSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1c(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000829880027 605741728 /nfs/dbraw/zinc/74/17/28/605741728.db2.gz BIYGNVKWJHDDBG-LLVKDONJSA-N 0 2 351.363 1.319 20 5 FDBDLN CC(C)CS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000194606606 672387215 /nfs/dbraw/zinc/38/72/15/672387215.db2.gz MABGOEWDCPXGMU-UHFFFAOYSA-N 0 2 352.372 1.496 20 5 FDBDLN CCn1cc([N+](=O)[O-])c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000427120171 680967353 /nfs/dbraw/zinc/96/73/53/680967353.db2.gz QIYWTWVHDYOKRH-UHFFFAOYSA-N 0 2 362.371 1.794 20 5 FDBDLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000475793211 685642878 /nfs/dbraw/zinc/64/28/78/685642878.db2.gz FYKSKXYFDOTHCT-UHFFFAOYSA-N 0 2 357.369 1.194 20 5 FDBDLN CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cn1 ZINC000468545849 684909886 /nfs/dbraw/zinc/90/98/86/684909886.db2.gz ZAFQAEXSCMTZRZ-UHFFFAOYSA-N 0 2 354.344 1.399 20 5 FDBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1OC ZINC000468548418 684910203 /nfs/dbraw/zinc/91/02/03/684910203.db2.gz OAFPWOAEDHYVMT-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000476443443 685726955 /nfs/dbraw/zinc/72/69/55/685726955.db2.gz OZVNCJCAUFUFPY-UHFFFAOYSA-N 0 2 350.356 1.479 20 5 FDBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)C1CCOCC1 ZINC000483435830 686506925 /nfs/dbraw/zinc/50/69/25/686506925.db2.gz RWDRKMDULCXFMZ-SECBINFHSA-N 0 2 358.372 1.221 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000519642401 690239544 /nfs/dbraw/zinc/23/95/44/690239544.db2.gz COMSWEXORZPBFF-LBPRGKRZSA-N 0 2 369.805 1.891 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)nc2)c([N+](=O)[O-])c1 ZINC000521531093 694405087 /nfs/dbraw/zinc/40/50/87/694405087.db2.gz QIENXTISXCTQMK-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN NS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000525330272 694607938 /nfs/dbraw/zinc/60/79/38/694607938.db2.gz NYLVRLCRYHKZMU-UHFFFAOYSA-N 0 2 357.369 1.043 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000452437354 793967736 /nfs/dbraw/zinc/96/77/36/793967736.db2.gz BBEULSWCXWXDSH-NWDGAFQWSA-N 0 2 355.350 1.722 20 5 FDBDLN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425299354 815956125 /nfs/dbraw/zinc/95/61/25/815956125.db2.gz KCXMSMACQVJUNV-MRVPVSSYSA-N 0 2 362.298 1.432 20 5 FDBDLN O=C(c1ccc(O)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436887086 816776646 /nfs/dbraw/zinc/77/66/46/816776646.db2.gz JDNPKPGMWSSSSM-UHFFFAOYSA-N 0 2 371.349 1.604 20 5 FDBDLN COc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)ncn1 ZINC000436936935 816802820 /nfs/dbraw/zinc/80/28/20/816802820.db2.gz GRQTXDGOYWRGDY-UHFFFAOYSA-N 0 2 359.342 1.061 20 5 FDBDLN NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)n1 ZINC000436965434 816811544 /nfs/dbraw/zinc/81/15/44/816811544.db2.gz RVJSLAGIUVTNHE-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN C[NH+]1CCN(c2ncccc2CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000506094941 817228115 /nfs/dbraw/zinc/22/81/15/817228115.db2.gz KCSHAWGVAGDTAO-UHFFFAOYSA-N 0 2 371.397 1.377 20 5 FDBDLN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2nn[nH]c2c1 ZINC000508018422 820825444 /nfs/dbraw/zinc/82/54/44/820825444.db2.gz VFACZKRIPFSJLY-UHFFFAOYSA-N 0 2 354.326 1.625 20 5 FDBDLN Cn1cc(-n2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc2=O)cn1 ZINC000483437690 849577561 /nfs/dbraw/zinc/57/75/61/849577561.db2.gz IPEUBALFZFRVPO-UHFFFAOYSA-N 0 2 355.310 1.437 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)NNc1c(F)c(F)nc(F)c1F ZINC000916102722 881363778 /nfs/dbraw/zinc/36/37/78/881363778.db2.gz ILLCVDMEFSWUJU-UHFFFAOYSA-N 0 2 366.252 1.852 20 5 FDBDLN Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H](C)C2)[nH]n1 ZINC000457270311 867376873 /nfs/dbraw/zinc/37/68/73/867376873.db2.gz ZUYGPVSQRVUFGN-LLVKDONJSA-N 0 2 373.369 1.319 20 5 FDBDLN Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)[C@H](C)C2)n[nH]1 ZINC000457270311 867376887 /nfs/dbraw/zinc/37/68/87/867376887.db2.gz ZUYGPVSQRVUFGN-LLVKDONJSA-N 0 2 373.369 1.319 20 5 FDBDLN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535513188 867726423 /nfs/dbraw/zinc/72/64/23/867726423.db2.gz DLTIMHXNMQBKNJ-UHFFFAOYSA-N 0 2 370.321 1.745 20 5 FDBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(N)=O)nc2)cc1[N+](=O)[O-] ZINC000771601319 930757094 /nfs/dbraw/zinc/75/70/94/930757094.db2.gz MGWTZTYCGGRBGK-UHFFFAOYSA-N 0 2 370.774 1.851 20 5 FDBDLN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000788270408 932632831 /nfs/dbraw/zinc/63/28/31/932632831.db2.gz KVKYCIJZSSHWQC-UHFFFAOYSA-N 0 2 351.359 1.993 20 5 FDBDLN Cn1nccc1[C@@H](O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000857368313 971740510 /nfs/dbraw/zinc/74/05/10/971740510.db2.gz DRIKRJRLOHDTQH-INIZCTEOSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C(NCCCc1n[nH]c(=O)[nH]1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848587545 976920599 /nfs/dbraw/zinc/92/05/99/976920599.db2.gz JJBOVPOIIGPSNP-UHFFFAOYSA-N 0 2 357.273 1.139 20 5 FDBDLN CC[C@](COC)(NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)[O-] ZINC001595195256 979911778 /nfs/dbraw/zinc/91/17/78/979911778.db2.gz YUCCUPBEEKANSL-MRXNPFEDSA-N 0 2 362.342 1.390 20 5 FDBDLN CCn1nccc1NS(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000777666552 1001328206 /nfs/dbraw/zinc/32/82/06/1001328206.db2.gz ZKXWNNUCKLVGNG-UHFFFAOYSA-N 0 2 369.359 1.790 20 5 FDBDLN N=C1NC(=O)[C@@H](CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])S1 ZINC000778463872 1006308804 /nfs/dbraw/zinc/30/88/04/1006308804.db2.gz QQDKBWAEGYDQPA-SNVBAGLBSA-N 0 2 356.791 1.463 20 5 FDBDLN Cc1ccc2n[nH]c(C(=O)N3CCC(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)c2c1 ZINC000947380064 1007547463 /nfs/dbraw/zinc/54/74/63/1007547463.db2.gz RQHDPHRNXHAOFT-UKRRQHHQSA-N 0 2 371.397 1.257 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000796389106 1009931576 /nfs/dbraw/zinc/93/15/76/1009931576.db2.gz XZXZTEVZAVMYHQ-LLVKDONJSA-N 0 2 361.276 1.536 20 5 FDBDLN O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000193784193 178180269 /nfs/dbraw/zinc/18/02/69/178180269.db2.gz QIYRVNDKVAUUES-SNVBAGLBSA-N 0 2 358.358 1.711 20 5 FDBDLN O=C(Cc1cccc(F)c1)NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000509504326 538950700 /nfs/dbraw/zinc/95/07/00/538950700.db2.gz SAKBAYXMGMPGSS-UHFFFAOYSA-N 0 2 361.329 1.528 20 5 FDBDLN CCCN(CC(C)(C)O)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000267215302 179790433 /nfs/dbraw/zinc/79/04/33/179790433.db2.gz ZNJJYLJRNUPOGS-UHFFFAOYSA-N 0 2 358.416 1.621 20 5 FDBDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000275236652 181266439 /nfs/dbraw/zinc/26/64/39/181266439.db2.gz KFTDXYQBLBTMNQ-SECBINFHSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(CCNS(=O)(=O)c1cccnc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000536196266 540564829 /nfs/dbraw/zinc/56/48/29/540564829.db2.gz FWTKYQTXHURRRF-UHFFFAOYSA-N 0 2 366.355 1.003 20 5 FDBDLN Cc1oc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1S(=O)(=O)N(C)C ZINC000537772830 540773037 /nfs/dbraw/zinc/77/30/37/540773037.db2.gz ATZDPFWUDXANRE-UHFFFAOYSA-N 0 2 369.355 1.704 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000541780606 541264161 /nfs/dbraw/zinc/26/41/61/541264161.db2.gz CRJUKEQDLXZUEJ-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN C[C@@]1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000542610551 541433458 /nfs/dbraw/zinc/43/34/58/541433458.db2.gz FDDUONWBNYDHQM-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545556244 541998765 /nfs/dbraw/zinc/99/87/65/541998765.db2.gz AHOLGEVIDYMAID-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000545556244 541998768 /nfs/dbraw/zinc/99/87/68/541998768.db2.gz AHOLGEVIDYMAID-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000287420935 183289155 /nfs/dbraw/zinc/28/91/55/183289155.db2.gz UDPPRSPMVROWKL-VXGBXAGGSA-N 0 2 371.415 1.138 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000550121441 543013084 /nfs/dbraw/zinc/01/30/84/543013084.db2.gz BKKVEKPRCDBOFP-UHFFFAOYSA-N 0 2 371.357 1.928 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000570589182 549337242 /nfs/dbraw/zinc/33/72/42/549337242.db2.gz DFXGICAJXAVCGU-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000135606043 173349374 /nfs/dbraw/zinc/34/93/74/173349374.db2.gz CSGBRKCLXFZOMG-LBPRGKRZSA-N 0 2 352.372 1.862 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000182148329 177503832 /nfs/dbraw/zinc/50/38/32/177503832.db2.gz DEDSXPPCDUNMNP-NHYWBVRUSA-N 0 2 359.382 1.916 20 5 FDBDLN Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000555368236 543948387 /nfs/dbraw/zinc/94/83/87/543948387.db2.gz TUWVAKKHFDZPRG-JTQLQIEISA-N 0 2 367.387 1.295 20 5 FDBDLN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000558387785 544418146 /nfs/dbraw/zinc/41/81/46/544418146.db2.gz UMJCPPIECDJBOQ-UHFFFAOYSA-N 0 2 361.358 1.837 20 5 FDBDLN Cc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc(N2CCCC2)n1 ZINC000293580708 258885415 /nfs/dbraw/zinc/88/54/15/258885415.db2.gz ARBWHIIAHSJGNQ-UHFFFAOYSA-N 0 2 357.370 1.929 20 5 FDBDLN O=[N+]([O-])c1cnc2ccc(NCc3nnc(COc4ccccc4)[nH]3)nn21 ZINC000302237111 259040478 /nfs/dbraw/zinc/04/04/78/259040478.db2.gz GIDNRWQEDDLAJP-UHFFFAOYSA-N 0 2 366.341 1.947 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000326848522 259049783 /nfs/dbraw/zinc/04/97/83/259049783.db2.gz DDGDZVVMFYMCGH-NSHDSACASA-N 0 2 370.362 1.910 20 5 FDBDLN O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000363373347 259584133 /nfs/dbraw/zinc/58/41/33/259584133.db2.gz MHPPGSGONFWKGO-INIZCTEOSA-N 0 2 367.427 1.238 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367223930 260013043 /nfs/dbraw/zinc/01/30/43/260013043.db2.gz KWFPXAXLUVSYRK-OAHLLOKOSA-N 0 2 355.350 1.831 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(C2N=NC(=S)O2)CC1 ZINC000367531088 260056688 /nfs/dbraw/zinc/05/66/88/260056688.db2.gz LQPNOXXRTQKMRA-UHFFFAOYSA-N 0 2 350.356 1.992 20 5 FDBDLN Cn1ncc2c1[nH]cc(C(=O)N1CCC(n3ccc([N+](=O)[O-])n3)CC1)c2=O ZINC000373347667 261003228 /nfs/dbraw/zinc/00/32/28/261003228.db2.gz XSDUBFZIXHRGGG-UHFFFAOYSA-N 0 2 371.357 1.256 20 5 FDBDLN Cc1c([C@H]2[C@H](C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)CC(=O)N2C)cnn1C ZINC000373895795 261050309 /nfs/dbraw/zinc/05/03/09/261050309.db2.gz PPGIVOVWFZBGCU-BDJLRTHQSA-N 0 2 373.369 1.500 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cnc3c(c2)COCC3)ccc1[N+](=O)[O-] ZINC000378476227 262032886 /nfs/dbraw/zinc/03/28/86/262032886.db2.gz QKDRJBOSXAECLK-UHFFFAOYSA-N 0 2 365.367 1.872 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000410408385 262167464 /nfs/dbraw/zinc/16/74/64/262167464.db2.gz QUZLRQMWKIPUEL-UHFFFAOYSA-N 0 2 352.372 1.937 20 5 FDBDLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCO ZINC000028498822 519241521 /nfs/dbraw/zinc/24/15/21/519241521.db2.gz LHFCXJQCNRZXNR-UHFFFAOYSA-N 0 2 367.383 1.808 20 5 FDBDLN CCN(CC)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031502711 519437458 /nfs/dbraw/zinc/43/74/58/519437458.db2.gz ZRNDOUPGSNWRFB-UHFFFAOYSA-N 0 2 350.375 1.520 20 5 FDBDLN NC(=O)CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000055594455 523830411 /nfs/dbraw/zinc/83/04/11/523830411.db2.gz ODRRCOMRXBFIEH-UHFFFAOYSA-N 0 2 365.367 1.650 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-n2cnnn2)c1 ZINC000135812639 524170996 /nfs/dbraw/zinc/17/09/96/524170996.db2.gz KSXVHPVWAWKKHK-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1F ZINC000121804757 524368307 /nfs/dbraw/zinc/36/83/07/524368307.db2.gz NODDBVDDJBDHON-LLVKDONJSA-N 0 2 370.362 1.910 20 5 FDBDLN Cc1cc(C)nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000121920153 524406764 /nfs/dbraw/zinc/40/67/64/524406764.db2.gz WSUJAPXADGDVJS-UHFFFAOYSA-N 0 2 357.370 1.670 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1C ZINC000134007720 526113836 /nfs/dbraw/zinc/11/38/36/526113836.db2.gz IBGWABXDCKMPRE-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000184886610 536189727 /nfs/dbraw/zinc/18/97/27/536189727.db2.gz MEQPPZYEBOAIPX-XHDPSFHLSA-N 0 2 359.382 1.916 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccnn2CCO)CC1 ZINC000185625748 536214032 /nfs/dbraw/zinc/21/40/32/536214032.db2.gz MMELHVHSPLQBKR-UHFFFAOYSA-N 0 2 360.370 1.509 20 5 FDBDLN COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263065980 536968937 /nfs/dbraw/zinc/96/89/37/536968937.db2.gz QYZBSNKCIDFXBW-QGZVFWFLSA-N 0 2 374.353 1.344 20 5 FDBDLN C[C@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])c[nH+]2)CCO1 ZINC000299351593 537555357 /nfs/dbraw/zinc/55/53/57/537555357.db2.gz NFWSLSATLYNAQL-LBPRGKRZSA-N 0 2 372.381 1.851 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000294385843 537690757 /nfs/dbraw/zinc/69/07/57/537690757.db2.gz MKIGGCVOVXQQTJ-MRXNPFEDSA-N 0 2 369.377 1.874 20 5 FDBDLN Cc1sc(S(=O)(=O)Nc2cccc(OCC(N)=O)c2)cc1[N+](=O)[O-] ZINC000466957313 538585022 /nfs/dbraw/zinc/58/50/22/538585022.db2.gz YYXBMRKBINZVQO-UHFFFAOYSA-N 0 2 371.396 1.630 20 5 FDBDLN COC(=O)c1ccc2[nH]c(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000560565512 545546588 /nfs/dbraw/zinc/54/65/88/545546588.db2.gz ZXVNADPFVWKGOL-UHFFFAOYSA-N 0 2 370.321 1.893 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000476448293 538868751 /nfs/dbraw/zinc/86/87/51/538868751.db2.gz QGOMNKVYKQHYAT-UHFFFAOYSA-N 0 2 350.356 1.479 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2CNC3=O)c([N+](=O)[O-])c1 ZINC000569042722 548776366 /nfs/dbraw/zinc/77/63/66/548776366.db2.gz NSCQWYSSJUBMTJ-UHFFFAOYSA-N 0 2 363.351 1.648 20 5 FDBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])n[nH]1 ZINC000569781103 549043456 /nfs/dbraw/zinc/04/34/56/549043456.db2.gz WTSGIVPPVJFXTN-BDAKNGLRSA-N 0 2 354.392 1.661 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(=O)[O-])C1CCOCC1 ZINC000571925332 549803835 /nfs/dbraw/zinc/80/38/35/549803835.db2.gz AIIRDNUFLPCFKJ-UHFFFAOYSA-N 0 2 351.359 1.407 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000571925332 549803837 /nfs/dbraw/zinc/80/38/37/549803837.db2.gz AIIRDNUFLPCFKJ-UHFFFAOYSA-N 0 2 351.359 1.407 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574882345 550386071 /nfs/dbraw/zinc/38/60/71/550386071.db2.gz UNGIYDWJSVDMNQ-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000574882345 550386073 /nfs/dbraw/zinc/38/60/73/550386073.db2.gz UNGIYDWJSVDMNQ-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000580176609 550951042 /nfs/dbraw/zinc/95/10/42/550951042.db2.gz WNNXWXMUFJLOLE-UHFFFAOYSA-N 0 2 357.330 1.619 20 5 FDBDLN CCOc1ccc(NC(=O)CSc2n[n-]c(=[NH2+])n2C)c([N+](=O)[O-])c1 ZINC000582676680 551255269 /nfs/dbraw/zinc/25/52/69/551255269.db2.gz JAXSHQJCDWHQGJ-UHFFFAOYSA-N 0 2 352.376 1.435 20 5 FDBDLN CC(C)(CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[NH+]1CCS(=O)CC1 ZINC000583633800 551380137 /nfs/dbraw/zinc/38/01/37/551380137.db2.gz XRHRRCTVMADXNG-UHFFFAOYSA-N 0 2 355.416 1.548 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)C(=O)Nc1ncccc1O ZINC000588862040 551694781 /nfs/dbraw/zinc/69/47/81/551694781.db2.gz JUURCTZRIMOYCM-VHSXEESVSA-N 0 2 374.353 1.794 20 5 FDBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589923934 551751923 /nfs/dbraw/zinc/75/19/23/551751923.db2.gz XAQRCDUBYFXLIA-WRWORJQWSA-N 0 2 372.296 1.858 20 5 FDBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1O ZINC000590368214 551776200 /nfs/dbraw/zinc/77/62/00/551776200.db2.gz TWNIIEGPIRJQEN-UWVGGRQHSA-N 0 2 374.353 1.794 20 5 FDBDLN CC(C)(C)OCC(=O)NC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000593553621 552131550 /nfs/dbraw/zinc/13/15/50/552131550.db2.gz PDFDDLJXBHTLSC-UHFFFAOYSA-N 0 2 353.375 1.949 20 5 FDBDLN CC(C)n1cnc(=NC(=O)C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]1 ZINC000593592507 552146136 /nfs/dbraw/zinc/14/61/36/552146136.db2.gz KVOWUZCFNFIGSQ-UHFFFAOYSA-N 0 2 372.385 1.897 20 5 FDBDLN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000594729261 552365763 /nfs/dbraw/zinc/36/57/63/552365763.db2.gz WFALDTAZJGGGFE-UHFFFAOYSA-N 0 2 374.382 1.872 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccccc2C(F)(F)F)n1 ZINC000599224731 552992564 /nfs/dbraw/zinc/99/25/64/552992564.db2.gz LNHBCFIZNFOMEJ-UHFFFAOYSA-N 0 2 364.305 1.826 20 5 FDBDLN CCc1ccc([C@H](COC)NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])o1 ZINC000599242979 552999457 /nfs/dbraw/zinc/99/94/57/552999457.db2.gz QOLXFHNUFGJKNU-JTQLQIEISA-N 0 2 358.376 1.150 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2(C(F)(F)F)CCCC2)n1 ZINC000599501031 553075107 /nfs/dbraw/zinc/07/51/07/553075107.db2.gz HNPUIJGENSVJTN-UHFFFAOYSA-N 0 2 356.326 1.729 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1[O-] ZINC000604369764 553868375 /nfs/dbraw/zinc/86/83/75/553868375.db2.gz QQHUKNUGHKYBRQ-UHFFFAOYSA-N 0 2 374.378 1.965 20 5 FDBDLN CCCn1nccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000608928190 554329697 /nfs/dbraw/zinc/32/96/97/554329697.db2.gz FJGUBBQOBWERES-UHFFFAOYSA-N 0 2 368.371 1.789 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609203657 554349743 /nfs/dbraw/zinc/34/97/43/554349743.db2.gz MNLJXDAEJCRXQS-JTQLQIEISA-N 0 2 368.292 1.748 20 5 FDBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000610702816 554552518 /nfs/dbraw/zinc/55/25/18/554552518.db2.gz KWGIABSJRYSZNH-AWEZNQCLSA-N 0 2 368.342 1.927 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000610796652 554563249 /nfs/dbraw/zinc/56/32/49/554563249.db2.gz UJSDXSNSPFDUJH-UHFFFAOYSA-N 0 2 364.386 1.485 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC000619466832 555781864 /nfs/dbraw/zinc/78/18/64/555781864.db2.gz WRHDSVSJFAWHPA-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436640291 568171000 /nfs/dbraw/zinc/17/10/00/568171000.db2.gz UZOBYISYBMHWTA-SNVBAGLBSA-N 0 2 366.355 1.109 20 5 FDBDLN O=C(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1O ZINC000273266559 674522535 /nfs/dbraw/zinc/52/25/35/674522535.db2.gz UOZPCTHBVCUYCO-JTQLQIEISA-N 0 2 366.355 1.109 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263361 604225406 /nfs/dbraw/zinc/22/54/06/604225406.db2.gz GHNNQALNBHJHMS-NEPJUHHUSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263361 604225407 /nfs/dbraw/zinc/22/54/07/604225407.db2.gz GHNNQALNBHJHMS-NEPJUHHUSA-N 0 2 350.375 1.901 20 5 FDBDLN O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000833307211 604269973 /nfs/dbraw/zinc/26/99/73/604269973.db2.gz KKYUFMOXFWGCSH-SNVBAGLBSA-N 0 2 355.778 1.857 20 5 FDBDLN CC[N@@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC000833655939 605402289 /nfs/dbraw/zinc/40/22/89/605402289.db2.gz HQKPDPUDJKWFQF-QWRGUYRKSA-N 0 2 371.415 1.396 20 5 FDBDLN CC[N@H+]1C[C@H](C)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])C[C@@H]1C ZINC000833655939 605402294 /nfs/dbraw/zinc/40/22/94/605402294.db2.gz HQKPDPUDJKWFQF-QWRGUYRKSA-N 0 2 371.415 1.396 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000277867924 675056499 /nfs/dbraw/zinc/05/64/99/675056499.db2.gz ZTHFBKSSAKNSNB-LLVKDONJSA-N 0 2 363.267 1.780 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000277867924 675056502 /nfs/dbraw/zinc/05/65/02/675056502.db2.gz ZTHFBKSSAKNSNB-LLVKDONJSA-N 0 2 363.267 1.780 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(N(C)C)ncn2)cc1[N+](=O)[O-] ZINC000278586026 675156753 /nfs/dbraw/zinc/15/67/53/675156753.db2.gz PICOUDVCVJDQTP-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000288843760 676061707 /nfs/dbraw/zinc/06/17/07/676061707.db2.gz DLIOXVHMXHMGFW-UHFFFAOYSA-N 0 2 356.379 1.985 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000430063477 681061806 /nfs/dbraw/zinc/06/18/06/681061806.db2.gz WKNWHBMNWPKDEI-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000436991188 681752061 /nfs/dbraw/zinc/75/20/61/681752061.db2.gz QSITXUJSSZNDIZ-GXTWGEPZSA-N 0 2 354.384 1.482 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000436991192 681752203 /nfs/dbraw/zinc/75/22/03/681752203.db2.gz QSITXUJSSZNDIZ-OCCSQVGLSA-N 0 2 354.384 1.482 20 5 FDBDLN O=[N+]([O-])c1cnccc1[N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000461112518 684563455 /nfs/dbraw/zinc/56/34/55/684563455.db2.gz KCGBXAIKEAEWGF-UHFFFAOYSA-N 0 2 359.367 1.457 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)ccc1[N+](=O)[O-] ZINC000463463197 684693119 /nfs/dbraw/zinc/69/31/19/684693119.db2.gz BXBZPMVILBJCSI-UHFFFAOYSA-N 0 2 360.351 1.941 20 5 FDBDLN CCS(=O)(=O)N(C)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000468088174 684889260 /nfs/dbraw/zinc/88/92/60/684889260.db2.gz MHBBJSOXZLSHRK-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(O)c1 ZINC000468521353 684909152 /nfs/dbraw/zinc/90/91/52/684909152.db2.gz CKBJVWCBEOJLIS-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2c[nH]nc2C)c(C)c([N+](=O)[O-])c1 ZINC000486082870 686831826 /nfs/dbraw/zinc/83/18/26/686831826.db2.gz RJLPYOUPEGLYIU-UHFFFAOYSA-N 0 2 354.344 1.522 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000494519313 687550500 /nfs/dbraw/zinc/55/05/00/687550500.db2.gz MXYLFXGUOQJVIJ-UHFFFAOYSA-N 0 2 374.762 1.856 20 5 FDBDLN Cc1nc(C2(NS(=O)(=O)c3cccnc3[N+](=O)[O-])CCCC2)no1 ZINC000525129253 694592417 /nfs/dbraw/zinc/59/24/17/694592417.db2.gz SZQBJJMOYRZKPC-UHFFFAOYSA-N 0 2 353.360 1.429 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCC[C@H](OC)C1 ZINC000514677896 815924191 /nfs/dbraw/zinc/92/41/91/815924191.db2.gz MGFQDOLAOYXTHH-IFUGULHKSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436893136 816780346 /nfs/dbraw/zinc/78/03/46/816780346.db2.gz OAKLAVRLPVCKDJ-CYBMUJFWSA-N 0 2 370.321 1.303 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)N1Cc2ccccc2C1 ZINC000436898741 816788642 /nfs/dbraw/zinc/78/86/42/816788642.db2.gz ZMMHPWILRPFXJA-LLVKDONJSA-N 0 2 355.350 1.961 20 5 FDBDLN O=C(c1ccccn1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436952385 816813858 /nfs/dbraw/zinc/81/38/58/816813858.db2.gz XFIZLDCPYRSDQY-UHFFFAOYSA-N 0 2 356.338 1.294 20 5 FDBDLN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)Nc1ccc2nn[nH]c2c1 ZINC000508091798 820845224 /nfs/dbraw/zinc/84/52/24/820845224.db2.gz BCKUCUZBALXSFK-UHFFFAOYSA-N 0 2 355.310 1.819 20 5 FDBDLN O=C(Nc1cc(F)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840461826 824186741 /nfs/dbraw/zinc/18/67/41/824186741.db2.gz GSWKSWUGMRUPFL-DDHJBXDOSA-N 0 2 352.278 1.033 20 5 FDBDLN O=C(Nc1cc(F)cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840461826 824186744 /nfs/dbraw/zinc/18/67/44/824186744.db2.gz GSWKSWUGMRUPFL-DDHJBXDOSA-N 0 2 352.278 1.033 20 5 FDBDLN COc1cccc(-c2nc(=NC(=O)CCn3cc([N+](=O)[O-])cn3)s[nH]2)c1 ZINC000476352910 841064767 /nfs/dbraw/zinc/06/47/67/841064767.db2.gz QJDPKJOLJNEGLI-UHFFFAOYSA-N 0 2 374.382 1.769 20 5 FDBDLN O=C(NCc1cnc(N2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000787759666 932391467 /nfs/dbraw/zinc/39/14/67/932391467.db2.gz AGBAFIODHOAEFQ-UHFFFAOYSA-N 0 2 364.383 1.524 20 5 FDBDLN COc1ccc(CSCC(=O)NOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000788118399 932561994 /nfs/dbraw/zinc/56/19/94/932561994.db2.gz OEOKPVVICBVVAZ-GFCCVEGCSA-N 0 2 356.400 1.921 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1O ZINC000788166151 932593165 /nfs/dbraw/zinc/59/31/65/932593165.db2.gz HZAONZZWYORVEN-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN CN1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814999454 941757227 /nfs/dbraw/zinc/75/72/27/941757227.db2.gz ZENOQUATBYNAGC-MRVPVSSYSA-N 0 2 351.787 1.760 20 5 FDBDLN O=C([O-])[C@@]1([NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CCOC1 ZINC001348423068 962436797 /nfs/dbraw/zinc/43/67/97/962436797.db2.gz NWNMSSIFUBLPNU-GOSISDBHSA-N 0 2 372.381 1.509 20 5 FDBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000775106844 965100600 /nfs/dbraw/zinc/10/06/00/965100600.db2.gz GQNOZZBLUATABX-MRVPVSSYSA-N 0 2 358.307 1.769 20 5 FDBDLN CCOC(=O)N(C)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000796012396 1013596490 /nfs/dbraw/zinc/59/64/90/1013596490.db2.gz ZWJOCUGSEHEFKU-UHFFFAOYSA-N 0 2 351.359 1.993 20 5 FDBDLN COC(=O)c1occc1CNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001192673603 969224480 /nfs/dbraw/zinc/22/44/80/969224480.db2.gz VZARPMPMIZMMAS-UHFFFAOYSA-N 0 2 360.369 1.823 20 5 FDBDLN CC(C)(C)OC(=O)NCCOCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776199269 975100825 /nfs/dbraw/zinc/10/08/25/975100825.db2.gz DJMSLRCDAMXLPS-UHFFFAOYSA-N 0 2 355.347 1.780 20 5 FDBDLN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776200694 975108320 /nfs/dbraw/zinc/10/83/20/975108320.db2.gz YKPKWWSEELFQAM-UHFFFAOYSA-N 0 2 374.309 1.967 20 5 FDBDLN COc1cc(C(=O)NCCc2n[nH]c(=S)o2)c([N+](=O)[O-])cc1OC ZINC000776536709 978973274 /nfs/dbraw/zinc/97/32/74/978973274.db2.gz MLJYYOGWSPYZIC-UHFFFAOYSA-N 0 2 354.344 1.256 20 5 FDBDLN C[C@](NC(=O)[C@H]1CCc2[nH+]ccn2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009000 980233848 /nfs/dbraw/zinc/23/38/48/980233848.db2.gz MCMBXKKZUQHZHW-APPDUMDISA-N 0 2 358.354 1.470 20 5 FDBDLN C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC001589378160 986439601 /nfs/dbraw/zinc/43/96/01/986439601.db2.gz CTFKLBKGBIKLAP-ZBEGNZNMSA-N 0 2 367.427 1.448 20 5 FDBDLN C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001594625313 986690805 /nfs/dbraw/zinc/69/08/05/986690805.db2.gz HXEXSAXWCZIIKY-SECBINFHSA-N 0 2 363.351 1.828 20 5 FDBDLN O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000295521705 988690330 /nfs/dbraw/zinc/69/03/30/988690330.db2.gz QQKYOGFQNIBFEZ-OAHLLOKOSA-N 0 2 373.413 1.357 20 5 FDBDLN CC(C)n1nc2c(cc1=O)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000363739611 989418268 /nfs/dbraw/zinc/41/82/68/989418268.db2.gz LNJZYYYRHWNLEB-UHFFFAOYSA-N 0 2 358.354 1.637 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)CC1 ZINC001591365751 992369341 /nfs/dbraw/zinc/36/93/41/992369341.db2.gz BUEHTUZWXKATCK-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1[N+](=O)[O-] ZINC000777678049 1001439059 /nfs/dbraw/zinc/43/90/59/1001439059.db2.gz ZVBOJWYWAIAAFP-UHFFFAOYSA-N 0 2 369.359 1.914 20 5 FDBDLN O=C(NCC1CCN(C(=O)c2cccc3[nH]cnc32)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000949341649 1003242355 /nfs/dbraw/zinc/24/23/55/1003242355.db2.gz CEMVXEYVYMULCT-UKRRQHHQSA-N 0 2 371.397 1.197 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000194295263 178206010 /nfs/dbraw/zinc/20/60/10/178206010.db2.gz WMGLYOMGRYXGDS-LBPRGKRZSA-N 0 2 357.370 1.858 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000538387739 540851954 /nfs/dbraw/zinc/85/19/54/540851954.db2.gz UPBNWJJPAPZNTN-NSHDSACASA-N 0 2 350.302 1.609 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000542518282 541419268 /nfs/dbraw/zinc/41/92/68/541419268.db2.gz YFDVPSFIJDTQEB-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000542836497 541483817 /nfs/dbraw/zinc/48/38/17/541483817.db2.gz JHCPYRBTKBVDES-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000544407489 541765372 /nfs/dbraw/zinc/76/53/72/541765372.db2.gz JDZCSNYHMABIDG-UHFFFAOYSA-N 0 2 355.328 1.155 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000545558114 541998962 /nfs/dbraw/zinc/99/89/62/541998962.db2.gz OYHVIRIIDVXWOT-GHMZBOCLSA-N 0 2 371.415 1.315 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000545558114 541998965 /nfs/dbraw/zinc/99/89/65/541998965.db2.gz OYHVIRIIDVXWOT-GHMZBOCLSA-N 0 2 371.415 1.315 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296994840 184223629 /nfs/dbraw/zinc/22/36/29/184223629.db2.gz QLFUETSMBPHZCU-UHFFFAOYSA-N 0 2 373.325 1.566 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc1 ZINC000549998447 542986639 /nfs/dbraw/zinc/98/66/39/542986639.db2.gz SIPHMZARFZAMMH-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552094300 543417346 /nfs/dbraw/zinc/41/73/46/543417346.db2.gz VCGDRFGJLKECGW-LBPRGKRZSA-N 0 2 350.302 1.609 20 5 FDBDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552115193 543420712 /nfs/dbraw/zinc/42/07/12/543420712.db2.gz QXXHVMOXJMUETL-JTQLQIEISA-N 0 2 361.276 1.584 20 5 FDBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1F ZINC000131582133 173207867 /nfs/dbraw/zinc/20/78/67/173207867.db2.gz CXJPVFYAKIGVRW-JTQLQIEISA-N 0 2 356.335 1.693 20 5 FDBDLN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000180772632 258374654 /nfs/dbraw/zinc/37/46/54/258374654.db2.gz GZYZAYACAHEMHS-UHFFFAOYSA-N 0 2 359.386 1.885 20 5 FDBDLN O=C(NCc1ccc(N2CCOCC2)[nH+]c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273387491 258449345 /nfs/dbraw/zinc/44/93/45/258449345.db2.gz OEJFAHNYZHZXBN-UHFFFAOYSA-N 0 2 358.354 1.462 20 5 FDBDLN CCn1nccc1N1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000276615121 258467449 /nfs/dbraw/zinc/46/74/49/258467449.db2.gz GORNEDYSSFZGIE-CYBMUJFWSA-N 0 2 373.369 1.442 20 5 FDBDLN Cc1sc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000555367040 543948362 /nfs/dbraw/zinc/94/83/62/543948362.db2.gz CQBCCNIOHAQMRI-MRVPVSSYSA-N 0 2 373.416 1.357 20 5 FDBDLN COC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CCOCC1 ZINC000557138555 544252218 /nfs/dbraw/zinc/25/22/18/544252218.db2.gz OKMHCIZSKRBFQS-UHFFFAOYSA-N 0 2 352.343 1.390 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000558402692 544421119 /nfs/dbraw/zinc/42/11/19/544421119.db2.gz HLJKZFHNCUEGFC-JTQLQIEISA-N 0 2 361.358 1.837 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000558596088 544477576 /nfs/dbraw/zinc/47/75/76/544477576.db2.gz QTCNOQUIUVWVCX-UHFFFAOYSA-N 0 2 365.367 1.616 20 5 FDBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)NC2(CCCC2)C1=O ZINC000367486535 260049196 /nfs/dbraw/zinc/04/91/96/260049196.db2.gz SEKUVLNGEAURBY-VIFPVBQESA-N 0 2 362.342 1.492 20 5 FDBDLN CNC(=O)CN1CCc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000368317124 260165997 /nfs/dbraw/zinc/16/59/97/260165997.db2.gz IGEMBTKREGHLMW-UHFFFAOYSA-N 0 2 370.365 1.661 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373347284 261003084 /nfs/dbraw/zinc/00/30/84/261003084.db2.gz WLRCULAOKPYXQY-UHFFFAOYSA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)N[C@@H]1CCOc2ccccc21 ZINC000374431245 261130586 /nfs/dbraw/zinc/13/05/86/261130586.db2.gz WKPIQERXRCUODQ-CQSZACIVSA-N 0 2 371.349 1.670 20 5 FDBDLN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377823988 261888399 /nfs/dbraw/zinc/88/83/99/261888399.db2.gz OBBQOHJNRIBBDP-CYBMUJFWSA-N 0 2 359.313 1.975 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1C(=O)c1ccncc1 ZINC000378426850 262022999 /nfs/dbraw/zinc/02/29/99/262022999.db2.gz QIFUDLFSHZRPKG-CQSZACIVSA-N 0 2 356.338 1.939 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000030031561 519344458 /nfs/dbraw/zinc/34/44/58/519344458.db2.gz RWRKRXHSLXCDRP-UHFFFAOYSA-N 0 2 374.378 1.930 20 5 FDBDLN O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000104390275 525410618 /nfs/dbraw/zinc/41/06/18/525410618.db2.gz XMJAKYNMJFBQNL-UHFFFAOYSA-N 0 2 355.310 1.989 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170747186 525699657 /nfs/dbraw/zinc/69/96/57/525699657.db2.gz YZWYHYIYTDBSMA-UHFFFAOYSA-N 0 2 358.314 1.472 20 5 FDBDLN O=C(N[C@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000184776521 536182446 /nfs/dbraw/zinc/18/24/46/536182446.db2.gz BOKOWLUJEMENEO-ZDUSSCGKSA-N 0 2 359.313 1.975 20 5 FDBDLN C[C@H]1CN=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)S1 ZINC000273300220 537425359 /nfs/dbraw/zinc/42/53/59/537425359.db2.gz ZRDROTHUNGXLPO-JTQLQIEISA-N 0 2 350.400 1.550 20 5 FDBDLN O=C(NCC1CC1)[C@H]1CSCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280959459 537486990 /nfs/dbraw/zinc/48/69/90/537486990.db2.gz NCJUTBMKCRWFKA-LLVKDONJSA-N 0 2 351.384 1.342 20 5 FDBDLN Cc1cc(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000468494325 538741531 /nfs/dbraw/zinc/74/15/31/538741531.db2.gz BNACHJNHTHDKKV-UHFFFAOYSA-N 0 2 369.337 1.925 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2n[nH]c(=O)n2c1 ZINC000485027880 538820721 /nfs/dbraw/zinc/82/07/21/538820721.db2.gz WQCXCUNGHKYMRI-UHFFFAOYSA-N 0 2 366.297 1.381 20 5 FDBDLN CC(C)OCc1nc([C@@H](C)NS(=O)(=O)c2cccnc2[N+](=O)[O-])no1 ZINC000568450712 548541226 /nfs/dbraw/zinc/54/12/26/548541226.db2.gz NKYJWCODNKYEQJ-SECBINFHSA-N 0 2 371.375 1.337 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cc(N(C)C)ncn2)cc1[N+](=O)[O-] ZINC000571817253 549772683 /nfs/dbraw/zinc/77/26/83/549772683.db2.gz VDEKWCWZAIXKJT-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)cn1 ZINC000577017695 550611524 /nfs/dbraw/zinc/61/15/24/550611524.db2.gz FEJBCQDAWBQTRM-UHFFFAOYSA-N 0 2 370.369 1.573 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1c[nH]nc1C1CC1)OCCO2 ZINC000577388441 550651100 /nfs/dbraw/zinc/65/11/00/550651100.db2.gz HRRUZEBPSULYSF-UHFFFAOYSA-N 0 2 366.355 1.767 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000579715104 550902743 /nfs/dbraw/zinc/90/27/43/550902743.db2.gz PJGONIGDKHUERG-TXEJJXNPSA-N 0 2 352.391 1.542 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000579715104 550902745 /nfs/dbraw/zinc/90/27/45/550902745.db2.gz PJGONIGDKHUERG-TXEJJXNPSA-N 0 2 352.391 1.542 20 5 FDBDLN O=C(NCCNS(=O)(=O)c1cccs1)c1cc(O)ccc1[N+](=O)[O-] ZINC000582257038 551198208 /nfs/dbraw/zinc/19/82/08/551198208.db2.gz FGNJKNCPDZIDAV-UHFFFAOYSA-N 0 2 371.396 1.070 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583030511 551294228 /nfs/dbraw/zinc/29/42/28/551294228.db2.gz OSJZQMRDEXDCHQ-GFCCVEGCSA-N 0 2 374.440 1.261 20 5 FDBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583030511 551294230 /nfs/dbraw/zinc/29/42/30/551294230.db2.gz OSJZQMRDEXDCHQ-GFCCVEGCSA-N 0 2 374.440 1.261 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccncc1C(=O)OC ZINC000583413516 551347401 /nfs/dbraw/zinc/34/74/01/551347401.db2.gz GOMWJWZINQHJPZ-UHFFFAOYSA-N 0 2 365.367 1.562 20 5 FDBDLN CO[C@@H](CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000594719764 552363535 /nfs/dbraw/zinc/36/35/35/552363535.db2.gz GBYMDNIWTVCOGN-RNCFNFMXSA-N 0 2 370.387 1.264 20 5 FDBDLN CCOC(=O)CC1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOCC1 ZINC000598487014 552901337 /nfs/dbraw/zinc/90/13/37/552901337.db2.gz PPCBXJFSJRCNLD-UHFFFAOYSA-N 0 2 352.343 1.533 20 5 FDBDLN CC(C)(C)OC(=O)C1(NC(=O)c2cccc(O)c2[N+](=O)[O-])CCOCC1 ZINC000598524590 552905124 /nfs/dbraw/zinc/90/51/24/552905124.db2.gz AYIIGKSYMUHIGY-UHFFFAOYSA-N 0 2 366.370 1.921 20 5 FDBDLN CC(C)[C@@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000599235487 552996470 /nfs/dbraw/zinc/99/64/70/552996470.db2.gz OMQBUTWHRDETHY-SNVBAGLBSA-N 0 2 370.391 1.264 20 5 FDBDLN COC(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000609680496 554410962 /nfs/dbraw/zinc/41/09/62/554410962.db2.gz VLKDIRREVBPTCY-UHFFFAOYSA-N 0 2 360.322 1.782 20 5 FDBDLN NC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000609806587 554423492 /nfs/dbraw/zinc/42/34/92/554423492.db2.gz XXMUFEHCGDLXAV-UHFFFAOYSA-N 0 2 370.365 1.362 20 5 FDBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610034206 554451268 /nfs/dbraw/zinc/45/12/68/554451268.db2.gz IOZDBTCXCOXCLJ-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN CCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000610265249 554484896 /nfs/dbraw/zinc/48/48/96/554484896.db2.gz MJVKLFISWVPRTE-LLVKDONJSA-N 0 2 355.372 1.811 20 5 FDBDLN CCOC(=O)c1ncc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000618907153 555694710 /nfs/dbraw/zinc/69/47/10/555694710.db2.gz VRUFDFPUYIPZTE-UHFFFAOYSA-N 0 2 368.371 1.479 20 5 FDBDLN CNC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619466504 555781651 /nfs/dbraw/zinc/78/16/51/555781651.db2.gz RWDVWROTBHTTEH-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000619507836 555792503 /nfs/dbraw/zinc/79/25/03/555792503.db2.gz ZQVOYSLTHRIMQN-VIFPVBQESA-N 0 2 370.343 1.639 20 5 FDBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(-n2cncn2)n1 ZINC000366001460 567826785 /nfs/dbraw/zinc/82/67/85/567826785.db2.gz RCBLVPNFSUUVCV-UHFFFAOYSA-N 0 2 354.326 1.515 20 5 FDBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000436662993 568252877 /nfs/dbraw/zinc/25/28/77/568252877.db2.gz HRPDTIUVQPCHBM-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436670493 568260794 /nfs/dbraw/zinc/26/07/94/568260794.db2.gz GHYMZIODNNSKTI-GFCCVEGCSA-N 0 2 363.292 1.293 20 5 FDBDLN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675983 568290255 /nfs/dbraw/zinc/29/02/55/568290255.db2.gz ZEXSRTWXSNKJAQ-INIZCTEOSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675983 568290257 /nfs/dbraw/zinc/29/02/57/568290257.db2.gz ZEXSRTWXSNKJAQ-INIZCTEOSA-N 0 2 371.393 1.931 20 5 FDBDLN Cc1cn(C[NH+]2CCC(C(=O)[O-])CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] ZINC000738332364 596951787 /nfs/dbraw/zinc/95/17/87/596951787.db2.gz YQQIMWUTMWPCRW-UHFFFAOYSA-N 0 2 360.370 1.610 20 5 FDBDLN C[C@H](NC(=O)c1ccc(N2CCc3c([nH+]cn3C)C2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736658150 599968825 /nfs/dbraw/zinc/96/88/25/599968825.db2.gz YNDCHHXFASAIMY-JTQLQIEISA-N 0 2 373.369 1.094 20 5 FDBDLN O=C([O-])C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000833248879 600856791 /nfs/dbraw/zinc/85/67/91/600856791.db2.gz ADCYJNJQHUUASS-UHFFFAOYSA-N 0 2 362.342 1.710 20 5 FDBDLN O=C([O-])C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCOCC1 ZINC000833248879 600856793 /nfs/dbraw/zinc/85/67/93/600856793.db2.gz ADCYJNJQHUUASS-UHFFFAOYSA-N 0 2 362.342 1.710 20 5 FDBDLN CN(C[C@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739663791 602525015 /nfs/dbraw/zinc/52/50/15/602525015.db2.gz BJZMBGFOMXWGJY-SNVBAGLBSA-N 0 2 350.331 1.392 20 5 FDBDLN CN(C[C@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739663791 602525016 /nfs/dbraw/zinc/52/50/16/602525016.db2.gz BJZMBGFOMXWGJY-SNVBAGLBSA-N 0 2 350.331 1.392 20 5 FDBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737567013 602529804 /nfs/dbraw/zinc/52/98/04/602529804.db2.gz UFMXFTZCCPPDQX-NSHDSACASA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737565061 602531939 /nfs/dbraw/zinc/53/19/39/602531939.db2.gz ALEAHWVLLBYAJQ-NSHDSACASA-N 0 2 350.375 1.996 20 5 FDBDLN CN(C[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739636878 602859456 /nfs/dbraw/zinc/85/94/56/602859456.db2.gz MKQFAOIBILIHJI-LLVKDONJSA-N 0 2 364.358 1.782 20 5 FDBDLN CN(C[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739636878 602859457 /nfs/dbraw/zinc/85/94/57/602859457.db2.gz MKQFAOIBILIHJI-LLVKDONJSA-N 0 2 364.358 1.782 20 5 FDBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827932121 603676654 /nfs/dbraw/zinc/67/66/54/603676654.db2.gz LAFUELPJDOOZAT-GFCCVEGCSA-N 0 2 359.342 1.605 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271296 604023923 /nfs/dbraw/zinc/02/39/23/604023923.db2.gz DYPORORRQYCLKT-QWRGUYRKSA-N 0 2 364.358 1.828 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271296 604023929 /nfs/dbraw/zinc/02/39/29/604023929.db2.gz DYPORORRQYCLKT-QWRGUYRKSA-N 0 2 364.358 1.828 20 5 FDBDLN O=C([O-])[C@@H]1CC12CC[NH+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000833771454 605377777 /nfs/dbraw/zinc/37/77/77/605377777.db2.gz FXWQETONRDPYTD-AWEZNQCLSA-N 0 2 368.411 1.555 20 5 FDBDLN O=C([O-])N[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000834147142 605992925 /nfs/dbraw/zinc/99/29/25/605992925.db2.gz LFSJZQYGNZHHAO-GFCCVEGCSA-N 0 2 359.342 1.557 20 5 FDBDLN COc1ncnc(N(C)C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000427138790 680968191 /nfs/dbraw/zinc/96/81/91/680968191.db2.gz YUZQXEYBTSEWMZ-UHFFFAOYSA-N 0 2 367.387 1.569 20 5 FDBDLN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCOC1 ZINC000436917021 681743730 /nfs/dbraw/zinc/74/37/30/681743730.db2.gz CHURHBFZWOIQIJ-HZMBPMFUSA-N 0 2 352.343 1.389 20 5 FDBDLN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCOC1 ZINC000436917026 681743736 /nfs/dbraw/zinc/74/37/36/681743736.db2.gz CHURHBFZWOIQIJ-YGRLFVJLSA-N 0 2 352.343 1.389 20 5 FDBDLN CS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436950626 681746367 /nfs/dbraw/zinc/74/63/67/681746367.db2.gz NNLQYSXGDSSZDN-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000446784089 682513997 /nfs/dbraw/zinc/51/39/97/682513997.db2.gz KUXQHGVNQGAMGJ-JTQLQIEISA-N 0 2 370.343 1.639 20 5 FDBDLN Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000467765168 684876151 /nfs/dbraw/zinc/87/61/51/684876151.db2.gz BSLXUKBDGHWLJZ-UHFFFAOYSA-N 0 2 365.323 1.546 20 5 FDBDLN NS(=O)(=O)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469443992 684969823 /nfs/dbraw/zinc/96/98/23/684969823.db2.gz FHGWXVRLPGHGKW-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000491207082 687153208 /nfs/dbraw/zinc/15/32/08/687153208.db2.gz IJEALDLILFNLIA-UHFFFAOYSA-N 0 2 353.360 1.087 20 5 FDBDLN O=C(c1ccccn1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000504874631 815347164 /nfs/dbraw/zinc/34/71/64/815347164.db2.gz GTJSPOWUJHLFDO-UHFFFAOYSA-N 0 2 356.338 1.294 20 5 FDBDLN O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000413800198 814184659 /nfs/dbraw/zinc/18/46/59/814184659.db2.gz PSWUQVPSZOAZQT-OAHLLOKOSA-N 0 2 373.413 1.357 20 5 FDBDLN COc1ccc(OC)c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000477715554 842753036 /nfs/dbraw/zinc/75/30/36/842753036.db2.gz JNOYPRBJICKOJY-UHFFFAOYSA-N 0 2 361.310 1.895 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn([C@@H]2CCOC2)nn1 ZINC000483814221 849990160 /nfs/dbraw/zinc/99/01/60/849990160.db2.gz GBGVSURPUDSETM-LLVKDONJSA-N 0 2 370.329 1.185 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn([C@H]2CCOC2)nn1 ZINC000483814222 849990223 /nfs/dbraw/zinc/99/02/23/849990223.db2.gz GBGVSURPUDSETM-NSHDSACASA-N 0 2 370.329 1.185 20 5 FDBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742579577 926091621 /nfs/dbraw/zinc/09/16/21/926091621.db2.gz VUMCMZOHHSCATE-GFCCVEGCSA-N 0 2 350.400 1.888 20 5 FDBDLN Cc1nn(Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)c(-c2nn[nH]n2)c1C ZINC000737524239 926668975 /nfs/dbraw/zinc/66/89/75/926668975.db2.gz VRKIIECSMDIZBZ-UHFFFAOYSA-N 0 2 361.749 1.650 20 5 FDBDLN COCCn1c(=O)cc(O)nc1SCc1ccc([N+](=O)[O-])cc1F ZINC000747825677 941292875 /nfs/dbraw/zinc/29/28/75/941292875.db2.gz CLIUMJUMAAWNBA-UHFFFAOYSA-N 0 2 355.347 1.935 20 5 FDBDLN C[C@H](C[N+](=O)[O-])OC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000814033761 941527563 /nfs/dbraw/zinc/52/75/63/941527563.db2.gz COJSNDUJHQWNQH-MRVPVSSYSA-N 0 2 374.400 1.104 20 5 FDBDLN CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000819551239 943609137 /nfs/dbraw/zinc/60/91/37/943609137.db2.gz FMWVGOFOWGRYKR-LLVKDONJSA-N 0 2 369.374 1.258 20 5 FDBDLN C[C@@H](CONC(=O)c1ccc([N+](=O)[O-])cc1O)NC(=O)OC(C)(C)C ZINC000776178550 975034926 /nfs/dbraw/zinc/03/49/26/975034926.db2.gz VVEDSLIJHJUVSF-VIFPVBQESA-N 0 2 355.347 1.875 20 5 FDBDLN C[C@](NC(=O)[C@H]1CCn2cc[nH+]c2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009004 980233773 /nfs/dbraw/zinc/23/37/73/980233773.db2.gz MERZFDQVQWPWHQ-APPDUMDISA-N 0 2 358.354 1.470 20 5 FDBDLN CCOC(=O)[C@@H](C)C1C[NH+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001596518077 984307854 /nfs/dbraw/zinc/30/78/54/984307854.db2.gz XHGQNYDQSIFMHU-NSHDSACASA-N 0 2 366.370 1.689 20 5 FDBDLN C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594554966 986279315 /nfs/dbraw/zinc/27/93/15/986279315.db2.gz RTQSGZFVJRRWCK-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594554966 986279327 /nfs/dbraw/zinc/27/93/27/986279327.db2.gz RTQSGZFVJRRWCK-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H](C(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589386705 986488711 /nfs/dbraw/zinc/48/87/11/986488711.db2.gz BDTQEIBKRDTAJV-ZANVPECISA-N 0 2 350.306 1.304 20 5 FDBDLN C[C@H]([NH2+]Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)c1nnnn1C1CC1 ZINC001593298806 994717133 /nfs/dbraw/zinc/71/71/33/994717133.db2.gz MVWQXJGGLIGUCV-VIFPVBQESA-N 0 2 362.346 1.230 20 5 FDBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cc(C(N)=O)n[nH]2)cc1[N+](=O)[O-] ZINC000778084989 1004959739 /nfs/dbraw/zinc/95/97/39/1004959739.db2.gz RREUHKBOKQGTFX-UHFFFAOYSA-N 0 2 359.751 1.179 20 5 FDBDLN CN(C)c1noc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)n1 ZINC000194501672 178214247 /nfs/dbraw/zinc/21/42/47/178214247.db2.gz PPMMKIQOYOJGLN-SNVBAGLBSA-N 0 2 361.358 1.769 20 5 FDBDLN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264526472 179127938 /nfs/dbraw/zinc/12/79/38/179127938.db2.gz DVHOHXRSVRNMJF-DGCLKSJQSA-N 0 2 365.386 1.304 20 5 FDBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(-c2nc[nH]n2)no1 ZINC000269827883 180399704 /nfs/dbraw/zinc/39/97/04/180399704.db2.gz IKGOUQDWUGJIPP-LLVKDONJSA-N 0 2 373.329 1.596 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000536216702 540567100 /nfs/dbraw/zinc/56/71/00/540567100.db2.gz VZYLZXBBZACLSV-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cn1 ZINC000536701544 540641796 /nfs/dbraw/zinc/64/17/96/540641796.db2.gz NFPBYZBIIAFZGG-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000539855874 541000743 /nfs/dbraw/zinc/00/07/43/541000743.db2.gz YYCOSIWPRIUXNG-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN NC(=O)c1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000540698255 541089833 /nfs/dbraw/zinc/08/98/33/541089833.db2.gz QEQMSAUCECUMAL-UHFFFAOYSA-N 0 2 356.385 1.135 20 5 FDBDLN CCO[C@@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)(C(=O)OC)C1(C)C ZINC000275695708 181390017 /nfs/dbraw/zinc/39/00/17/181390017.db2.gz UOXCQQNBWYRIJT-CXAGYDPISA-N 0 2 366.370 1.777 20 5 FDBDLN COC(=O)c1cnc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cn1 ZINC000543655105 541628167 /nfs/dbraw/zinc/62/81/67/541628167.db2.gz DYRVUYBGDUYGHI-UHFFFAOYSA-N 0 2 369.297 1.209 20 5 FDBDLN COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000547327149 542314783 /nfs/dbraw/zinc/31/47/83/542314783.db2.gz ZVHKFWFWXMVHQY-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)[nH]1 ZINC000549847691 542953591 /nfs/dbraw/zinc/95/35/91/542953591.db2.gz HKKMMBWFJYANAX-SSDOTTSWSA-N 0 2 359.389 1.048 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073420439 172062496 /nfs/dbraw/zinc/06/24/96/172062496.db2.gz NNMPDZYKUOXDIW-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN CC1=C(C(=O)N(C)C)[C@@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1C ZINC000299513638 259002708 /nfs/dbraw/zinc/00/27/08/259002708.db2.gz UNMUGHSDAIYFTJ-CYBMUJFWSA-N 0 2 350.400 1.524 20 5 FDBDLN CC(C)n1nc2c(cc1=O)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000367689314 260078248 /nfs/dbraw/zinc/07/82/48/260078248.db2.gz PIUVSEZHYXNQST-UHFFFAOYSA-N 0 2 358.354 1.637 20 5 FDBDLN CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367755141 260086118 /nfs/dbraw/zinc/08/61/18/260086118.db2.gz NUAUQDYFUOXZTA-PWSUYJOCSA-N 0 2 352.343 1.483 20 5 FDBDLN CCOC(=O)[C@]1(COC)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000368615078 260210064 /nfs/dbraw/zinc/21/00/64/260210064.db2.gz PGKITOLGRZDYFV-QGZVFWFLSA-N 0 2 366.370 1.732 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000368914483 260260821 /nfs/dbraw/zinc/26/08/21/260260821.db2.gz XLPARUXUMPTTCM-HNNXBMFYSA-N 0 2 363.370 1.154 20 5 FDBDLN COCc1nc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000373123118 260984931 /nfs/dbraw/zinc/98/49/31/260984931.db2.gz GYWBYBYMNUXCDX-LLVKDONJSA-N 0 2 364.314 1.044 20 5 FDBDLN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000373475541 261013607 /nfs/dbraw/zinc/01/36/07/261013607.db2.gz LYBYTOCPKUVQDU-AWEZNQCLSA-N 0 2 360.370 1.864 20 5 FDBDLN CCOC(=O)C1(COC)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000373671013 261029000 /nfs/dbraw/zinc/02/90/00/261029000.db2.gz VDMUFMRKWFYLOU-UHFFFAOYSA-N 0 2 366.370 1.732 20 5 FDBDLN CCOC(=O)c1c[nH]n(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)c1=N ZINC000374424809 261130159 /nfs/dbraw/zinc/13/01/59/261130159.db2.gz RTENZJWWTDPCKC-UHFFFAOYSA-N 0 2 366.403 1.679 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1-n1cnnn1 ZINC000028260926 519229338 /nfs/dbraw/zinc/22/93/38/519229338.db2.gz MGRIGJBIYASWCE-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000032143897 519484730 /nfs/dbraw/zinc/48/47/30/519484730.db2.gz XBUCBUJTBZYYIC-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc1C ZINC000060443237 522381824 /nfs/dbraw/zinc/38/18/24/522381824.db2.gz UDCPYJNXFFLJEL-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000054888499 523715405 /nfs/dbraw/zinc/71/54/05/523715405.db2.gz MEZNZHHEOIUIRQ-UHFFFAOYSA-N 0 2 359.367 1.868 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c([N+](=O)[O-])c1 ZINC000116710827 525195751 /nfs/dbraw/zinc/19/57/51/525195751.db2.gz VZLVWAJWCKCJDY-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cncc(-c3nncn3C)c2)c([N+](=O)[O-])c1 ZINC000129398903 525651068 /nfs/dbraw/zinc/65/10/68/525651068.db2.gz SSXIZZDRIUSFHK-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000129411972 525651382 /nfs/dbraw/zinc/65/13/82/525651382.db2.gz URQIITDISJMMHA-UHFFFAOYSA-N 0 2 366.384 1.648 20 5 FDBDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCn2cc([N+](=O)[O-])cn2)=N1 ZINC000129978859 525710619 /nfs/dbraw/zinc/71/06/19/525710619.db2.gz RNAYBPXSCQXOMO-UHFFFAOYSA-N 0 2 374.332 1.560 20 5 FDBDLN Cc1cc(C(=O)NCC(=O)Nc2ccc3nn[nH]c3c2)ccc1[N+](=O)[O-] ZINC000183859859 536057844 /nfs/dbraw/zinc/05/78/44/536057844.db2.gz NBMKSOVJSLPXTH-UHFFFAOYSA-N 0 2 354.326 1.543 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184624339 536170590 /nfs/dbraw/zinc/17/05/90/536170590.db2.gz WNPGFFLFDIYTGK-UHFFFAOYSA-N 0 2 360.351 1.871 20 5 FDBDLN CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCCS1(=O)=O ZINC000271604549 537463409 /nfs/dbraw/zinc/46/34/09/537463409.db2.gz URFXJVVIWRJNDO-ZDUSSCGKSA-N 0 2 357.388 1.299 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000278118223 537629671 /nfs/dbraw/zinc/62/96/71/537629671.db2.gz ASITUCGDTHILNK-SNVBAGLBSA-N 0 2 354.344 1.939 20 5 FDBDLN CC[C@H]1C[N@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414332025 537782963 /nfs/dbraw/zinc/78/29/63/537782963.db2.gz GIYMAKXVENUBNI-LBPRGKRZSA-N 0 2 371.415 1.398 20 5 FDBDLN CC[C@H]1C[N@@H+](CC)CCN1S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414332025 537782970 /nfs/dbraw/zinc/78/29/70/537782970.db2.gz GIYMAKXVENUBNI-LBPRGKRZSA-N 0 2 371.415 1.398 20 5 FDBDLN CN(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)(C)C1 ZINC000408176405 537828580 /nfs/dbraw/zinc/82/85/80/537828580.db2.gz FSBDRCQTWYYLOU-UHFFFAOYSA-N 0 2 350.375 1.518 20 5 FDBDLN CC(C)CN1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CCN2C1=O ZINC000427798447 538238623 /nfs/dbraw/zinc/23/86/23/538238623.db2.gz COJARLNCOXAHBN-CYBMUJFWSA-N 0 2 362.386 1.518 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCN1C(=O)c1cnn(C)c1 ZINC000456952972 538463662 /nfs/dbraw/zinc/46/36/62/538463662.db2.gz QEGMWRHSXRYTIB-NSHDSACASA-N 0 2 373.369 1.021 20 5 FDBDLN CS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560535570 545539226 /nfs/dbraw/zinc/53/92/26/545539226.db2.gz GPKUTTCOALHFBE-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000463781420 538691296 /nfs/dbraw/zinc/69/12/96/538691296.db2.gz LRUWFFVTYNPAJX-UHFFFAOYSA-N 0 2 373.350 1.438 20 5 FDBDLN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000564746169 547023700 /nfs/dbraw/zinc/02/37/00/547023700.db2.gz OKBBBCHHGJFFCT-UHFFFAOYSA-N 0 2 369.333 1.717 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CC(=O)[O-])C1CCOCC1 ZINC000567989914 548349968 /nfs/dbraw/zinc/34/99/68/548349968.db2.gz UQHKBLJVLXAWTI-UHFFFAOYSA-N 0 2 351.359 1.407 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000567989914 548349971 /nfs/dbraw/zinc/34/99/71/548349971.db2.gz UQHKBLJVLXAWTI-UHFFFAOYSA-N 0 2 351.359 1.407 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)nc2ncnn21 ZINC000583176297 551314259 /nfs/dbraw/zinc/31/42/59/551314259.db2.gz MGFRTYFTKHHOPE-UHFFFAOYSA-N 0 2 364.343 1.150 20 5 FDBDLN Cn1cc([C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C2(CO)CCC2)cn1 ZINC000584129155 551451972 /nfs/dbraw/zinc/45/19/72/551451972.db2.gz JERGNDPYGCCLTJ-HNNXBMFYSA-N 0 2 360.370 1.668 20 5 FDBDLN COC(=O)C(C)(C)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594698638 552358062 /nfs/dbraw/zinc/35/80/62/552358062.db2.gz FGXKBSOATWYKML-UHFFFAOYSA-N 0 2 368.371 1.500 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597709017 552824917 /nfs/dbraw/zinc/82/49/17/552824917.db2.gz FUHKMJFUJKDJCJ-LBPRGKRZSA-N 0 2 369.805 1.891 20 5 FDBDLN COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000600461317 553271703 /nfs/dbraw/zinc/27/17/03/553271703.db2.gz UIRQYLZNTDRCTF-ZWNOBZJWSA-N 0 2 352.343 1.389 20 5 FDBDLN O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600680848 553299054 /nfs/dbraw/zinc/29/90/54/553299054.db2.gz HQLWUPHTIGPVAP-HNNXBMFYSA-N 0 2 372.381 1.326 20 5 FDBDLN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000600876233 553323684 /nfs/dbraw/zinc/32/36/84/553323684.db2.gz VOFGQMUHYPOMFC-UHFFFAOYSA-N 0 2 361.358 1.092 20 5 FDBDLN O=C([O-])[C@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCOC1 ZINC000600878204 553323829 /nfs/dbraw/zinc/32/38/29/553323829.db2.gz OUPKSHVUPHLXHP-KRWDZBQOSA-N 0 2 374.353 1.392 20 5 FDBDLN CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000604185759 553850668 /nfs/dbraw/zinc/85/06/68/553850668.db2.gz LIWMKZOOGYKHNR-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN CCOC(=O)c1ccc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])o1 ZINC000610590676 554535898 /nfs/dbraw/zinc/53/58/98/554535898.db2.gz MHAYEDXPVUPFII-UHFFFAOYSA-N 0 2 355.328 1.238 20 5 FDBDLN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294724 554623726 /nfs/dbraw/zinc/62/37/26/554623726.db2.gz GEZCLQVDYQWQMK-JTQLQIEISA-N 0 2 365.367 1.606 20 5 FDBDLN CCc1cnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])o1 ZINC000611498196 554638411 /nfs/dbraw/zinc/63/84/11/554638411.db2.gz JNNQQLPNEPQZDF-UHFFFAOYSA-N 0 2 355.328 1.733 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(C(=O)N2CCCCC2)CC1 ZINC000613871767 554981472 /nfs/dbraw/zinc/98/14/72/554981472.db2.gz CRHPVRMKAQEOPE-UHFFFAOYSA-N 0 2 362.386 1.664 20 5 FDBDLN NC(=O)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000436617714 568059754 /nfs/dbraw/zinc/05/97/54/568059754.db2.gz JFXJQCOOYYRREW-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN COc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000738028478 599758902 /nfs/dbraw/zinc/75/89/02/599758902.db2.gz RTEXBTGEFPVWOD-INIZCTEOSA-N 0 2 359.338 1.957 20 5 FDBDLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000739505705 599783397 /nfs/dbraw/zinc/78/33/97/599783397.db2.gz DZMVUZHIHUXYQC-KRWDZBQOSA-N 0 2 355.350 1.899 20 5 FDBDLN CC1(C)COCC[N@@H+]1CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736737596 599869367 /nfs/dbraw/zinc/86/93/67/599869367.db2.gz UFYQQMNHYCINND-UHFFFAOYSA-N 0 2 351.359 1.134 20 5 FDBDLN CC1(C)COCC[N@H+]1CCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736737596 599869369 /nfs/dbraw/zinc/86/93/69/599869369.db2.gz UFYQQMNHYCINND-UHFFFAOYSA-N 0 2 351.359 1.134 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000739683333 602553990 /nfs/dbraw/zinc/55/39/90/602553990.db2.gz HVNLVFLJOFHEGY-UHFFFAOYSA-N 0 2 351.363 1.354 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739165089 603324138 /nfs/dbraw/zinc/32/41/38/603324138.db2.gz GYGUVXFNNLUTBG-WCQYABFASA-N 0 2 373.369 1.899 20 5 FDBDLN CN(C[C@@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(=O)[O-] ZINC000828230349 603613340 /nfs/dbraw/zinc/61/33/40/603613340.db2.gz PDAHZRMBLLQNLY-ZDUSSCGKSA-N 0 2 360.374 1.885 20 5 FDBDLN CN(C[C@@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(=O)[O-] ZINC000828230349 603613342 /nfs/dbraw/zinc/61/33/42/603613342.db2.gz PDAHZRMBLLQNLY-ZDUSSCGKSA-N 0 2 360.374 1.885 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828506329 604632533 /nfs/dbraw/zinc/63/25/33/604632533.db2.gz FVZFCJJRVDRKGY-SNVBAGLBSA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](CNC(=O)[O-])C1 ZINC000828506329 604632535 /nfs/dbraw/zinc/63/25/35/604632535.db2.gz FVZFCJJRVDRKGY-SNVBAGLBSA-N 0 2 356.766 1.272 20 5 FDBDLN O=C(NCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436871958 681740021 /nfs/dbraw/zinc/74/00/21/681740021.db2.gz VHXNOHNXQAIKNA-UHFFFAOYSA-N 0 2 350.352 1.504 20 5 FDBDLN COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000462687476 684657542 /nfs/dbraw/zinc/65/75/42/684657542.db2.gz YMSCFRASJKFEEX-SECBINFHSA-N 0 2 370.305 1.508 20 5 FDBDLN CC1CCC(NS(=O)(=O)CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000483438187 686507745 /nfs/dbraw/zinc/50/77/45/686507745.db2.gz XQTHWDTUQZNCDV-UHFFFAOYSA-N 0 2 371.415 1.737 20 5 FDBDLN COC(=O)c1nscc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000499265111 687927941 /nfs/dbraw/zinc/92/79/41/687927941.db2.gz OIGTUPLFBKRNIN-UHFFFAOYSA-N 0 2 371.396 1.822 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)nc2)c1C ZINC000501269971 688165601 /nfs/dbraw/zinc/16/56/01/688165601.db2.gz GHKYPECXVSXNBI-UHFFFAOYSA-N 0 2 350.356 1.506 20 5 FDBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N[C@@H]1CCOc2ccccc21 ZINC000375811086 784983212 /nfs/dbraw/zinc/98/32/12/784983212.db2.gz WHMQNNORRPVUFU-CQSZACIVSA-N 0 2 371.349 1.670 20 5 FDBDLN O=C(c1ccccc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000505110018 815417086 /nfs/dbraw/zinc/41/70/86/815417086.db2.gz RWMJGEGWMRVIFB-UHFFFAOYSA-N 0 2 355.350 1.899 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366728369 813874048 /nfs/dbraw/zinc/87/40/48/813874048.db2.gz HWMSBSJWYSJARS-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN CCOc1cc(NC(=O)NCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OCC ZINC000474704711 824340462 /nfs/dbraw/zinc/34/04/62/824340462.db2.gz ZWTMREPOMXLYQM-UHFFFAOYSA-N 0 2 366.334 1.538 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444108061 826286531 /nfs/dbraw/zinc/28/65/31/826286531.db2.gz XPOGMVRJCYRPPW-UHFFFAOYSA-N 0 2 371.303 1.713 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508532663 828323631 /nfs/dbraw/zinc/32/36/31/828323631.db2.gz UOPYTKARLQFLSG-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000452384531 830631227 /nfs/dbraw/zinc/63/12/27/830631227.db2.gz GHOZGJRVNZVGKP-HNNXBMFYSA-N 0 2 373.413 1.357 20 5 FDBDLN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435740 849574449 /nfs/dbraw/zinc/57/44/49/849574449.db2.gz HJSSPRSORBKBJF-SECBINFHSA-N 0 2 369.337 1.934 20 5 FDBDLN Cn1cc(-c2nn(C)cc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000762502298 875993836 /nfs/dbraw/zinc/99/38/36/875993836.db2.gz NYWWICDDOKKTQF-UHFFFAOYSA-N 0 2 368.400 1.591 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2c(cn1)OCCC2 ZINC000371688963 888503846 /nfs/dbraw/zinc/50/38/46/888503846.db2.gz LPKUALOJRZQOIC-UHFFFAOYSA-N 0 2 366.337 2.352 20 5 FDBDLN O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273276806 912145291 /nfs/dbraw/zinc/14/52/91/912145291.db2.gz FYLMQGPNBFKNFP-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)n[nH]2)s1 ZINC000733314741 920949911 /nfs/dbraw/zinc/94/99/11/920949911.db2.gz XDJUAEGRIRKFST-UHFFFAOYSA-N 0 2 365.396 1.920 20 5 FDBDLN CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000770615299 930155438 /nfs/dbraw/zinc/15/54/38/930155438.db2.gz UOKOQPDSLOAJDD-UHFFFAOYSA-N 0 2 367.387 1.097 20 5 FDBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C(N)=O)cc1OC ZINC000772582735 931358461 /nfs/dbraw/zinc/35/84/61/931358461.db2.gz YCLPLPTWLDQOSV-UHFFFAOYSA-N 0 2 361.310 1.669 20 5 FDBDLN C[C@H](O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OCc1ccccc1 ZINC000816747702 942331049 /nfs/dbraw/zinc/33/10/49/942331049.db2.gz XVYHBHCDNGLUNU-ZBEGNZNMSA-N 0 2 374.349 1.523 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)Br)c(F)c1 ZINC000808573256 952670447 /nfs/dbraw/zinc/67/04/47/952670447.db2.gz OWHQDPGVJKNSRO-UHFFFAOYSA-N 0 2 363.111 2.000 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)NOC2CCOCC2)c([N+](=O)[O-])c1 ZINC000773923470 960847518 /nfs/dbraw/zinc/84/75/18/960847518.db2.gz UOMBSCHWAWKLRO-UHFFFAOYSA-N 0 2 355.372 1.013 20 5 FDBDLN C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001180721396 965544747 /nfs/dbraw/zinc/54/47/47/965544747.db2.gz SBLGSJBARHFNGJ-SFHVURJKSA-N 0 2 370.365 1.831 20 5 FDBDLN CCO/C=C/[C@@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000848180243 976437432 /nfs/dbraw/zinc/43/74/32/976437432.db2.gz WRHPDBJPJFJHOL-URWSZGRFSA-N 0 2 364.276 1.874 20 5 FDBDLN C[C@@](NC(=O)[C@H]1CCn2cc[nH+]c2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009006 980233485 /nfs/dbraw/zinc/23/34/85/980233485.db2.gz MERZFDQVQWPWHQ-GTNSWQLSSA-N 0 2 358.354 1.470 20 5 FDBDLN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000363707711 989401399 /nfs/dbraw/zinc/40/13/99/989401399.db2.gz QVIZFODFZYHAMH-LLVKDONJSA-N 0 2 356.338 1.340 20 5 FDBDLN Cc1nc(CN2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)no1 ZINC000370430031 989739554 /nfs/dbraw/zinc/73/95/54/989739554.db2.gz GVBBAMITKVPLGF-NSHDSACASA-N 0 2 361.358 1.386 20 5 FDBDLN NC(=O)c1ccccc1N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372480257 991149990 /nfs/dbraw/zinc/14/99/90/991149990.db2.gz FDVDXFTWQBLBDR-LLVKDONJSA-N 0 2 370.365 1.408 20 5 FDBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)NC2(CCCC2)C1=O ZINC000372932849 991694474 /nfs/dbraw/zinc/69/44/74/991694474.db2.gz ZHVAZLAWTGHINW-SECBINFHSA-N 0 2 362.342 1.492 20 5 FDBDLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779701 995970390 /nfs/dbraw/zinc/97/03/90/995970390.db2.gz SCSBMOVVHCZLED-AMIZOPFISA-N 0 2 358.297 1.711 20 5 FDBDLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC001598779701 995970393 /nfs/dbraw/zinc/97/03/93/995970393.db2.gz SCSBMOVVHCZLED-AMIZOPFISA-N 0 2 358.297 1.711 20 5 FDBDLN Cc1cnc(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)o1 ZINC000777669047 1001324557 /nfs/dbraw/zinc/32/45/57/1001324557.db2.gz DQLZZQGMHAFDDS-UHFFFAOYSA-N 0 2 368.327 1.649 20 5 FDBDLN O=C1OCCN1c1ccc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000777669768 1001380105 /nfs/dbraw/zinc/38/01/05/1001380105.db2.gz JMYIYYCUYYKMHV-UHFFFAOYSA-N 0 2 364.339 1.747 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(C)o2)cc1[N+](=O)[O-] ZINC000777669645 1001382862 /nfs/dbraw/zinc/38/28/62/1001382862.db2.gz JFDWXHYKWZOZGW-UHFFFAOYSA-N 0 2 356.316 1.870 20 5 FDBDLN C[NH+]1CCN(c2cccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)c2)CC1 ZINC001212893237 1007040400 /nfs/dbraw/zinc/04/04/00/1007040400.db2.gz SRJIJLBJWINLIU-UHFFFAOYSA-N 0 2 355.358 1.787 20 5 FDBDLN Cc1nnnn1-c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055589236 210206319 /nfs/dbraw/zinc/20/63/19/210206319.db2.gz PZEIVUFEIKOHBI-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000524817821 539663907 /nfs/dbraw/zinc/66/39/07/539663907.db2.gz BHAUSZYJWFODIN-UHFFFAOYSA-N 0 2 367.321 1.856 20 5 FDBDLN C[C@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])c[nH+]2)CCO1 ZINC000267916385 179949439 /nfs/dbraw/zinc/94/94/39/179949439.db2.gz HNGVRYBYEHHCAE-LBPRGKRZSA-N 0 2 372.381 1.851 20 5 FDBDLN CCOC(=O)Cc1nnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000269677381 180359288 /nfs/dbraw/zinc/35/92/88/180359288.db2.gz DJDROAFCEWNRMW-UHFFFAOYSA-N 0 2 372.384 1.353 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(CCO)CCOCC(F)(F)F ZINC000275051292 181226118 /nfs/dbraw/zinc/22/61/18/181226118.db2.gz LOJSFNWQSDCRIS-UHFFFAOYSA-N 0 2 352.265 1.314 20 5 FDBDLN COc1ccccc1[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000533554080 540264430 /nfs/dbraw/zinc/26/44/30/540264430.db2.gz LZTCLPWNXVUIBW-GFCCVEGCSA-N 0 2 370.358 1.754 20 5 FDBDLN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000534055891 540319595 /nfs/dbraw/zinc/31/95/95/540319595.db2.gz AXHHAYTXRBGFQS-UHFFFAOYSA-N 0 2 369.355 1.704 20 5 FDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)C1CCOCC1 ZINC000536208335 540565730 /nfs/dbraw/zinc/56/57/30/540565730.db2.gz DZGJMUCZPKJFFD-SECBINFHSA-N 0 2 358.372 1.221 20 5 FDBDLN Nc1c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000537722172 540764313 /nfs/dbraw/zinc/76/43/13/540764313.db2.gz BLOQUWQTWXNYFB-UHFFFAOYSA-N 0 2 350.310 1.160 20 5 FDBDLN CNS(=O)(=O)c1csc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000537767949 540772533 /nfs/dbraw/zinc/77/25/33/540772533.db2.gz INFZONSXACGRHY-UHFFFAOYSA-N 0 2 357.369 1.522 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000539854296 541000282 /nfs/dbraw/zinc/00/02/82/541000282.db2.gz XXCYJVUMONPRGG-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CCc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000540561037 541075100 /nfs/dbraw/zinc/07/51/00/541075100.db2.gz OFPPJJBGKRQARA-UHFFFAOYSA-N 0 2 365.367 1.763 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCN1C(=O)CCC1=O ZINC000275542726 181346639 /nfs/dbraw/zinc/34/66/39/181346639.db2.gz AQIYFIWFAKPHQO-UHFFFAOYSA-N 0 2 350.331 1.264 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000542218869 541358449 /nfs/dbraw/zinc/35/84/49/541358449.db2.gz OEKPCXASKJDKGD-UHFFFAOYSA-N 0 2 355.376 1.751 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000543448278 541594166 /nfs/dbraw/zinc/59/41/66/541594166.db2.gz HFNDRDUAPXJLQY-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[nH]n1 ZINC000543765008 541656881 /nfs/dbraw/zinc/65/68/81/541656881.db2.gz ANRVSJQRNLFSAR-UHFFFAOYSA-N 0 2 370.343 1.304 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000544636128 541798508 /nfs/dbraw/zinc/79/85/08/541798508.db2.gz VDDNNDJQCZMIAM-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN CN1C(=O)N[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000284631018 182556742 /nfs/dbraw/zinc/55/67/42/182556742.db2.gz STARXEUQEKPRPD-OLZOCXBDSA-N 0 2 359.386 1.089 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000135606019 173349505 /nfs/dbraw/zinc/34/95/05/173349505.db2.gz CSGBRKCLXFZOMG-GFCCVEGCSA-N 0 2 352.372 1.862 20 5 FDBDLN CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000368615073 260209782 /nfs/dbraw/zinc/20/97/82/260209782.db2.gz PGKITOLGRZDYFV-KRWDZBQOSA-N 0 2 366.370 1.732 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2c(CC(F)(F)F)nnc2C1 ZINC000373341858 261002792 /nfs/dbraw/zinc/00/27/92/261002792.db2.gz RUFVDLYXGGXOGR-UHFFFAOYSA-N 0 2 371.275 1.653 20 5 FDBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@@H]1CCOc2ccccc21 ZINC000374430548 261131141 /nfs/dbraw/zinc/13/11/41/261131141.db2.gz SAFAVJOBGWWJEF-CQSZACIVSA-N 0 2 371.349 1.670 20 5 FDBDLN O=C(Nc1cnccn1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375607702 261381808 /nfs/dbraw/zinc/38/18/08/261381808.db2.gz UPEAGKPXOKBKAB-UHFFFAOYSA-N 0 2 371.353 1.581 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)c1ccncc1 ZINC000375642905 261388843 /nfs/dbraw/zinc/38/88/43/261388843.db2.gz PXCSDVPLORODKM-UHFFFAOYSA-N 0 2 370.365 1.730 20 5 FDBDLN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000376089733 261490331 /nfs/dbraw/zinc/49/03/31/261490331.db2.gz WYHLOFMQIBCOKC-CYBMUJFWSA-N 0 2 362.260 1.868 20 5 FDBDLN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2ccccc2N1C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000378475440 262032975 /nfs/dbraw/zinc/03/29/75/262032975.db2.gz PXNJOBFUVWWDPI-HFLGISGGSA-N 0 2 374.353 1.085 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C ZINC000025442928 519063115 /nfs/dbraw/zinc/06/31/15/519063115.db2.gz IFPNEVCMDBCAGN-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN CCCCn1c2nc(-c3ccc(O)c([N+](=O)[O-])c3)n(CC)c2c(=O)[nH]c1=O ZINC000032834506 519544831 /nfs/dbraw/zinc/54/48/31/519544831.db2.gz ZWOHUMNRYXHWNA-UHFFFAOYSA-N 0 2 373.369 1.987 20 5 FDBDLN C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)NC(=O)NC1=O ZINC000060684540 522411874 /nfs/dbraw/zinc/41/18/74/522411874.db2.gz OKBZSMWEVCZOKS-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN Cc1ccc(NCCCNC(=O)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000156955172 524182475 /nfs/dbraw/zinc/18/24/75/524182475.db2.gz HZZQLSRQGYNVKO-LBPRGKRZSA-N 0 2 355.416 1.256 20 5 FDBDLN CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(S(=O)(=O)CC)ccc2O)n1 ZINC000138515214 524259064 /nfs/dbraw/zinc/25/90/64/524259064.db2.gz LHJLAUKFFOMOCJ-UHFFFAOYSA-N 0 2 368.371 1.563 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCc1nc[nH]n1 ZINC000151901458 524721522 /nfs/dbraw/zinc/72/15/22/524721522.db2.gz BYLGOWZUKNKHTG-UHFFFAOYSA-N 0 2 366.186 1.541 20 5 FDBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nnnn1-c1ccccc1 ZINC000182022048 526024736 /nfs/dbraw/zinc/02/47/36/526024736.db2.gz MZIBJDVISIMMJJ-JTQLQIEISA-N 0 2 354.326 1.767 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000185530190 536211238 /nfs/dbraw/zinc/21/12/38/536211238.db2.gz DBCDZAVLMZCRLV-NSHDSACASA-N 0 2 357.370 1.858 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccn3n2)c2ncccc12 ZINC000186595991 536237961 /nfs/dbraw/zinc/23/79/61/536237961.db2.gz FULMPUCHZOKPIN-UHFFFAOYSA-N 0 2 370.350 1.987 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000187124018 536255272 /nfs/dbraw/zinc/25/52/72/536255272.db2.gz RRNAYMDIWHRFIZ-UHFFFAOYSA-N 0 2 373.340 1.924 20 5 FDBDLN Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cccc(O)c2[N+](=O)[O-])cn1 ZINC000281211515 537514415 /nfs/dbraw/zinc/51/44/15/537514415.db2.gz LRAUGRBRUWNGAP-LBPRGKRZSA-N 0 2 358.354 1.912 20 5 FDBDLN Cc1nc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n[nH]1 ZINC000285396862 537700536 /nfs/dbraw/zinc/70/05/36/537700536.db2.gz OMRSCLWRDSFFCN-YFKPBYRVSA-N 0 2 363.758 1.853 20 5 FDBDLN CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000414342091 537784636 /nfs/dbraw/zinc/78/46/36/537784636.db2.gz PKGQACOWPTUWHW-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1[C@@H]1CCOC1 ZINC000451100836 538186610 /nfs/dbraw/zinc/18/66/10/538186610.db2.gz YJXZJOMOIJBOEM-GFCCVEGCSA-N 0 2 352.372 1.862 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424267911 538267650 /nfs/dbraw/zinc/26/76/50/538267650.db2.gz MZBHRDQZEPOSFN-BONVTDFDSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)[O-] ZINC000424267911 538267655 /nfs/dbraw/zinc/26/76/55/538267655.db2.gz MZBHRDQZEPOSFN-BONVTDFDSA-N 0 2 351.359 1.727 20 5 FDBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccc(O)cc1 ZINC000500927673 538579172 /nfs/dbraw/zinc/57/91/72/538579172.db2.gz SQALOEPODXDLCR-ZDUSSCGKSA-N 0 2 374.349 1.768 20 5 FDBDLN COc1c(F)cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000488219454 538727184 /nfs/dbraw/zinc/72/71/84/538727184.db2.gz RTXBSZVTJXTMQE-UHFFFAOYSA-N 0 2 371.350 1.399 20 5 FDBDLN COC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000479142974 538788278 /nfs/dbraw/zinc/78/82/78/538788278.db2.gz RVEJSCGAIJVBID-JTQLQIEISA-N 0 2 360.285 1.980 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCc2cc[nH+]c(N3CCOCC3)c2)n1 ZINC000570686475 549375646 /nfs/dbraw/zinc/37/56/46/549375646.db2.gz LIGDGIJDPAJADJ-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000573162977 550078080 /nfs/dbraw/zinc/07/80/80/550078080.db2.gz ZMBOGQNONJYIPE-NSHDSACASA-N 0 2 360.374 1.545 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2cc(CCOC)nn2C)cc1[N+](=O)[O-] ZINC000580074254 550940660 /nfs/dbraw/zinc/94/06/60/550940660.db2.gz LXWRHFHDMMNUCU-UHFFFAOYSA-N 0 2 368.415 1.880 20 5 FDBDLN CC(C)(CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])[NH+]1CCS(=O)CC1 ZINC000580079867 550941462 /nfs/dbraw/zinc/94/14/62/550941462.db2.gz GZLXBGQISVGFBO-UHFFFAOYSA-N 0 2 369.443 1.477 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000592775375 552027076 /nfs/dbraw/zinc/02/70/76/552027076.db2.gz CELGTHUEIIBMNS-NSHDSACASA-N 0 2 355.778 1.501 20 5 FDBDLN Cc1cc(N2CCN(Cc3[nH+]ccn3C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592971880 552050666 /nfs/dbraw/zinc/05/06/66/552050666.db2.gz QHUOKTMNXFAKFP-UHFFFAOYSA-N 0 2 359.386 1.657 20 5 FDBDLN CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000593849222 552208860 /nfs/dbraw/zinc/20/88/60/552208860.db2.gz DCZKKJUHNQNMLS-ZDUSSCGKSA-N 0 2 366.370 1.921 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000594721818 552363831 /nfs/dbraw/zinc/36/38/31/552363831.db2.gz WVRCSJFBKZPFEW-ABAIWWIYSA-N 0 2 374.415 1.534 20 5 FDBDLN C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CO1 ZINC000597992157 552853559 /nfs/dbraw/zinc/85/35/59/552853559.db2.gz BIWJXKVUVHQGSB-VHSXEESVSA-N 0 2 357.794 1.793 20 5 FDBDLN C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CO1 ZINC000597992157 552853561 /nfs/dbraw/zinc/85/35/61/552853561.db2.gz BIWJXKVUVHQGSB-VHSXEESVSA-N 0 2 357.794 1.793 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000599249697 553002205 /nfs/dbraw/zinc/00/22/05/553002205.db2.gz DZYSHGZYECXRCD-IUCAKERBSA-N 0 2 370.353 1.975 20 5 FDBDLN O=C(N=c1nc2n([nH]1)CCCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000599999750 553197358 /nfs/dbraw/zinc/19/73/58/553197358.db2.gz VTWICEKIUOZKLZ-UHFFFAOYSA-N 0 2 371.332 2.100 20 5 FDBDLN O=C(NCC1(OCCO)CCC(F)(F)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600302955 553246406 /nfs/dbraw/zinc/24/64/06/553246406.db2.gz UXTNFYDLHWFCDE-UHFFFAOYSA-N 0 2 374.340 1.987 20 5 FDBDLN O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])cc1O ZINC000600686100 553300407 /nfs/dbraw/zinc/30/04/07/553300407.db2.gz WNUUEXFNIJMKQB-OAHLLOKOSA-N 0 2 372.381 1.326 20 5 FDBDLN CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000603904744 553828761 /nfs/dbraw/zinc/82/87/61/553828761.db2.gz RZHHITXXBBVXIA-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000610111100 554462767 /nfs/dbraw/zinc/46/27/67/554462767.db2.gz SRTSKLJDJYMTBE-UHFFFAOYSA-N 0 2 355.310 1.583 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(N)=O)sc1C ZINC000610732851 554555816 /nfs/dbraw/zinc/55/58/16/554555816.db2.gz DIIONOZGEYHIFR-UHFFFAOYSA-N 0 2 371.396 1.873 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000619467530 555781929 /nfs/dbraw/zinc/78/19/29/555781929.db2.gz MGGPXZXRLJZXKO-UHFFFAOYSA-N 0 2 363.351 1.899 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(N(C)C)nc1 ZINC000619507009 555792458 /nfs/dbraw/zinc/79/24/58/555792458.db2.gz QRDNISATAMRBQM-UHFFFAOYSA-N 0 2 352.372 1.865 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nn1 ZINC000619623097 555811376 /nfs/dbraw/zinc/81/13/76/555811376.db2.gz DJYNFLJLQGYLHC-UHFFFAOYSA-N 0 2 366.355 1.156 20 5 FDBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1N ZINC000619855657 555844525 /nfs/dbraw/zinc/84/45/25/555844525.db2.gz KOICVPNBUFDZTD-UHFFFAOYSA-N 0 2 351.340 1.764 20 5 FDBDLN CNS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436616490 568059225 /nfs/dbraw/zinc/05/92/25/568059225.db2.gz IIMKHUSAWNHXLE-UHFFFAOYSA-N 0 2 367.339 1.166 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2cccc(F)c2)C(=O)C1 ZINC000436655436 568252983 /nfs/dbraw/zinc/25/29/83/568252983.db2.gz IHUIQTMOOQSUIL-UHFFFAOYSA-N 0 2 359.313 1.929 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCCC(=O)[O-])CC1 ZINC000262215487 600224264 /nfs/dbraw/zinc/22/42/64/600224264.db2.gz JNUNZEBZMUVVAS-UHFFFAOYSA-N 0 2 371.415 1.074 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC000832393748 601047306 /nfs/dbraw/zinc/04/73/06/601047306.db2.gz GWXJARDZKLJZKQ-UHFFFAOYSA-N 0 2 367.358 1.108 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)c([N+](=O)[O-])c1 ZINC000832393748 601047309 /nfs/dbraw/zinc/04/73/09/601047309.db2.gz GWXJARDZKLJZKQ-UHFFFAOYSA-N 0 2 367.358 1.108 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(=O)[O-])C1CCOCC1 ZINC000832097587 601047874 /nfs/dbraw/zinc/04/78/74/601047874.db2.gz IFLYJYCKWCJKNX-UHFFFAOYSA-N 0 2 367.358 1.108 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(=O)[O-])C1CCOCC1 ZINC000832097587 601047875 /nfs/dbraw/zinc/04/78/75/601047875.db2.gz IFLYJYCKWCJKNX-UHFFFAOYSA-N 0 2 367.358 1.108 20 5 FDBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641100 601981630 /nfs/dbraw/zinc/98/16/30/601981630.db2.gz XJMCQTSAVLWHAA-BXUZGUMPSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641100 601981633 /nfs/dbraw/zinc/98/16/33/601981633.db2.gz XJMCQTSAVLWHAA-BXUZGUMPSA-N 0 2 350.375 1.996 20 5 FDBDLN O=C([O-])N1CC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740425593 602417481 /nfs/dbraw/zinc/41/74/81/602417481.db2.gz FGYHGEKFYKFFMC-LBPRGKRZSA-N 0 2 373.369 1.900 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739918117 602538801 /nfs/dbraw/zinc/53/88/01/602538801.db2.gz BPBIBSNSLAKXCH-NSHDSACASA-N 0 2 366.374 1.474 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739918117 602538802 /nfs/dbraw/zinc/53/88/02/602538802.db2.gz BPBIBSNSLAKXCH-NSHDSACASA-N 0 2 366.374 1.474 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000739687438 602679142 /nfs/dbraw/zinc/67/91/42/602679142.db2.gz LHBDUGPQPGWMBV-UHFFFAOYSA-N 0 2 365.415 1.936 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829224139 603535210 /nfs/dbraw/zinc/53/52/10/603535210.db2.gz HGFYABHUPICFEW-NSHDSACASA-N 0 2 352.347 1.226 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[O-])C1 ZINC000829224139 603535213 /nfs/dbraw/zinc/53/52/13/603535213.db2.gz HGFYABHUPICFEW-NSHDSACASA-N 0 2 352.347 1.226 20 5 FDBDLN C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000828114689 603538084 /nfs/dbraw/zinc/53/80/84/603538084.db2.gz KRYCNLUXMXPJHB-JTQLQIEISA-N 0 2 356.766 1.871 20 5 FDBDLN C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCN(C(=O)[O-])C1 ZINC000828114689 603538088 /nfs/dbraw/zinc/53/80/88/603538088.db2.gz KRYCNLUXMXPJHB-JTQLQIEISA-N 0 2 356.766 1.871 20 5 FDBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000833545048 604900906 /nfs/dbraw/zinc/90/09/06/604900906.db2.gz CSCJCUYCSUVHRV-ZANVPECISA-N 0 2 364.383 1.611 20 5 FDBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000833545048 604900907 /nfs/dbraw/zinc/90/09/07/604900907.db2.gz CSCJCUYCSUVHRV-ZANVPECISA-N 0 2 364.383 1.611 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000278430525 675137430 /nfs/dbraw/zinc/13/74/30/675137430.db2.gz TXLWXTFEPMDULQ-UHFFFAOYSA-N 0 2 358.332 1.324 20 5 FDBDLN CC(C)CCS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000111983930 671634992 /nfs/dbraw/zinc/63/49/92/671634992.db2.gz OGUILAODFGSQFL-UHFFFAOYSA-N 0 2 366.399 1.886 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000376053413 678218734 /nfs/dbraw/zinc/21/87/34/678218734.db2.gz DYZNILUSAUBTBH-CQSZACIVSA-N 0 2 362.363 1.901 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC000436861916 681738900 /nfs/dbraw/zinc/73/89/00/681738900.db2.gz MFWXZTILBRHHRS-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000446780549 682513700 /nfs/dbraw/zinc/51/37/00/682513700.db2.gz LHQKJSVLXVQJQW-VIFPVBQESA-N 0 2 370.343 1.639 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000446784090 682513938 /nfs/dbraw/zinc/51/39/38/682513938.db2.gz KUXQHGVNQGAMGJ-SNVBAGLBSA-N 0 2 370.343 1.639 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)nc2)c1[N+](=O)[O-] ZINC000480231246 686144752 /nfs/dbraw/zinc/14/47/52/686144752.db2.gz WNMXSPJDMKIDNL-UHFFFAOYSA-N 0 2 350.356 1.506 20 5 FDBDLN CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n(C)c1 ZINC000483435124 686506988 /nfs/dbraw/zinc/50/69/88/686506988.db2.gz PVSXNGINDRLHKG-UHFFFAOYSA-N 0 2 368.371 1.142 20 5 FDBDLN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000517157965 690039356 /nfs/dbraw/zinc/03/93/56/690039356.db2.gz AUYRWQVEDGGHFG-UHFFFAOYSA-N 0 2 357.369 1.194 20 5 FDBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000535325221 694904173 /nfs/dbraw/zinc/90/41/73/694904173.db2.gz JTOWIIAKCDIEJA-UHFFFAOYSA-N 0 2 372.790 1.848 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnccc1-n1ccnn1 ZINC000377539028 792168355 /nfs/dbraw/zinc/16/83/55/792168355.db2.gz BIRGKGVWXJTUNN-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(N[C@H]([C@@H]1CCCO1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC001143500860 792874825 /nfs/dbraw/zinc/87/48/25/792874825.db2.gz UCLHVODHIXAHPU-LSDHHAIUSA-N 0 2 350.371 1.740 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2nncn2C)ccn1 ZINC000367123030 814427708 /nfs/dbraw/zinc/42/77/08/814427708.db2.gz KQVLWNKCLOAWEB-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425299357 815956034 /nfs/dbraw/zinc/95/60/34/815956034.db2.gz KCXMSMACQVJUNV-QMMMGPOBSA-N 0 2 362.298 1.432 20 5 FDBDLN C[C@H]1CN(c2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])cn2)CCO1 ZINC000506499926 817878642 /nfs/dbraw/zinc/87/86/42/817878642.db2.gz PBHWLPFVSYWFQW-LBPRGKRZSA-N 0 2 372.381 1.851 20 5 FDBDLN O=C(NN1C(=O)c2ccccc2C1=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000763229279 878274223 /nfs/dbraw/zinc/27/42/23/878274223.db2.gz MOLNTQHSGYZQGN-UHFFFAOYSA-N 0 2 351.278 1.412 20 5 FDBDLN O=C1OCc2c1cccc2S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000746053899 927577394 /nfs/dbraw/zinc/57/73/94/927577394.db2.gz IPFJGVOWIMBLSC-UHFFFAOYSA-N 0 2 350.308 1.772 20 5 FDBDLN NC(=O)c1ccc(SCC(=O)NOCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000766772098 928839357 /nfs/dbraw/zinc/83/93/57/928839357.db2.gz WDAMIKYBXORMAF-UHFFFAOYSA-N 0 2 353.278 1.396 20 5 FDBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)ccc1F ZINC000790005801 933298492 /nfs/dbraw/zinc/29/84/92/933298492.db2.gz WLLWAAQYYAEWCC-UHFFFAOYSA-N 0 2 350.278 1.996 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(-c3nn[nH]n3)s2)cc1 ZINC000823644171 946460706 /nfs/dbraw/zinc/46/07/06/946460706.db2.gz GLHZOTRJXWLFAZ-UHFFFAOYSA-N 0 2 353.345 1.032 20 5 FDBDLN C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845437825 949207986 /nfs/dbraw/zinc/20/79/86/949207986.db2.gz DYASRAAVVLNWBH-LLVKDONJSA-N 0 2 352.372 1.389 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000773539099 963320958 /nfs/dbraw/zinc/32/09/58/963320958.db2.gz VSFYLNMBXRATAR-UHFFFAOYSA-N 0 2 351.359 1.897 20 5 FDBDLN COc1cnc([C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)[nH]c1=O ZINC001180059294 965095301 /nfs/dbraw/zinc/09/53/01/965095301.db2.gz FQHOJZXIEVSHGR-LBPRGKRZSA-N 0 2 360.326 1.782 20 5 FDBDLN CSCc1n[nH]c(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC001194960532 970557341 /nfs/dbraw/zinc/55/73/41/970557341.db2.gz UWDPFLXTGHBGEQ-UHFFFAOYSA-N 0 2 361.380 1.194 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776194449 975086709 /nfs/dbraw/zinc/08/67/09/975086709.db2.gz JKJAQNKMRQYYKE-UHFFFAOYSA-N 0 2 365.367 1.803 20 5 FDBDLN C[C@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001594521686 985994134 /nfs/dbraw/zinc/99/41/34/985994134.db2.gz JEKHVNKXCUCCBH-ZDUSSCGKSA-N 0 2 364.402 1.404 20 5 FDBDLN C[C@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001594521686 985994147 /nfs/dbraw/zinc/99/41/47/985994147.db2.gz JEKHVNKXCUCCBH-ZDUSSCGKSA-N 0 2 364.402 1.404 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443987 986794457 /nfs/dbraw/zinc/79/44/57/986794457.db2.gz HKJZHPLMYZVSJA-MNOVXSKESA-N 0 2 374.357 1.159 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443987 986794465 /nfs/dbraw/zinc/79/44/65/986794465.db2.gz HKJZHPLMYZVSJA-MNOVXSKESA-N 0 2 374.357 1.159 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(C(=O)c2cc(C(F)F)[nH]n2)CC1 ZINC000953928654 1012904303 /nfs/dbraw/zinc/90/43/03/1012904303.db2.gz HWJIWPDKXUAAEE-BXKDBHETSA-N 0 2 371.344 1.076 20 5 FDBDLN COCCn1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000194643423 178219149 /nfs/dbraw/zinc/21/91/49/178219149.db2.gz CBRMRNGOIDVMEG-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN Cc1nc(C)n(C[C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCO2)n1 ZINC000513649571 539002177 /nfs/dbraw/zinc/00/21/77/539002177.db2.gz ZOPLSTCICMKIHB-CYBMUJFWSA-N 0 2 361.358 1.050 20 5 FDBDLN CCc1cc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])n(C)n1 ZINC000265229768 179317115 /nfs/dbraw/zinc/31/71/15/179317115.db2.gz CJOFXMFZQGHIAA-UHFFFAOYSA-N 0 2 368.371 1.478 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000274766932 181162122 /nfs/dbraw/zinc/16/21/22/181162122.db2.gz YQGLLYHJRZNPCV-JSGCOSHPSA-N 0 2 356.400 1.728 20 5 FDBDLN O=C(CCn1nnc2ccccc2c1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535516775 540479389 /nfs/dbraw/zinc/47/93/89/540479389.db2.gz OVCHTMPLRHGJJS-UHFFFAOYSA-N 0 2 355.310 1.434 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(O)(Cc2ccncc2)CC1 ZINC000538823360 540895814 /nfs/dbraw/zinc/89/58/14/540895814.db2.gz MUXJAFNQVUMBFE-UHFFFAOYSA-N 0 2 357.366 1.905 20 5 FDBDLN O=C(Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1)NC1CCCC1 ZINC000538871249 540903274 /nfs/dbraw/zinc/90/32/74/540903274.db2.gz XBMIUKYPHNLTQA-UHFFFAOYSA-N 0 2 373.369 1.808 20 5 FDBDLN O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000540529625 541070793 /nfs/dbraw/zinc/07/07/93/541070793.db2.gz OEAXNPMQOQPCFB-LLVKDONJSA-N 0 2 369.333 1.758 20 5 FDBDLN O=C([O-])CSCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000540672614 541086650 /nfs/dbraw/zinc/08/66/50/541086650.db2.gz PUOMCYCQZLSMRI-UHFFFAOYSA-N 0 2 350.356 1.328 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000541084947 541148568 /nfs/dbraw/zinc/14/85/68/541148568.db2.gz RWIMAMBVKAOREF-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CCO[C@H]1C[C@@](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)(C(=O)OC)C1(C)C ZINC000275695719 181390415 /nfs/dbraw/zinc/39/04/15/181390415.db2.gz UOXCQQNBWYRIJT-SUMWQHHRSA-N 0 2 366.370 1.777 20 5 FDBDLN COc1c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cccc1C(N)=O ZINC000542980762 541513088 /nfs/dbraw/zinc/51/30/88/541513088.db2.gz BCPYPVCYRYUTHW-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN COCCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000285120405 182721588 /nfs/dbraw/zinc/72/15/88/182721588.db2.gz PETGMFGWFCSZFD-UHFFFAOYSA-N 0 2 367.383 1.988 20 5 FDBDLN COCCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000023779714 211396523 /nfs/dbraw/zinc/39/65/23/211396523.db2.gz LKIBTCOPAMUMOC-CYBMUJFWSA-N 0 2 367.383 1.283 20 5 FDBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000547785545 542447630 /nfs/dbraw/zinc/44/76/30/542447630.db2.gz YDSIDECSMKYZGT-UHFFFAOYSA-N 0 2 354.326 1.617 20 5 FDBDLN O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549768031 542934581 /nfs/dbraw/zinc/93/45/81/542934581.db2.gz BTLSUNLALOMKNG-VIFPVBQESA-N 0 2 356.342 1.920 20 5 FDBDLN O=C(NC[C@H](CO)Cc1ccncc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000551930379 543379815 /nfs/dbraw/zinc/37/98/15/543379815.db2.gz CFOXFICFVNGXML-SNVBAGLBSA-N 0 2 365.773 1.930 20 5 FDBDLN COC(=O)c1ccc2[nH]c(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc2c1 ZINC000552310644 543449572 /nfs/dbraw/zinc/44/95/72/543449572.db2.gz DZSKDNNNGLAKCP-UHFFFAOYSA-N 0 2 370.321 1.893 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179473637 258351447 /nfs/dbraw/zinc/35/14/47/258351447.db2.gz KUVBJJHVHPKQIS-SNVBAGLBSA-N 0 2 358.358 1.711 20 5 FDBDLN CCc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)no1 ZINC000184764073 258383813 /nfs/dbraw/zinc/38/38/13/258383813.db2.gz KZXCDTXNQYBEKQ-UHFFFAOYSA-N 0 2 361.358 1.204 20 5 FDBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000555535762 543967863 /nfs/dbraw/zinc/96/78/63/543967863.db2.gz PQFWRDZBQCVBJY-UHFFFAOYSA-N 0 2 357.330 1.619 20 5 FDBDLN Cn1cccc1C(=O)NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367156076 260003543 /nfs/dbraw/zinc/00/35/43/260003543.db2.gz JDWCXOOSNPDMRI-UHFFFAOYSA-N 0 2 372.381 1.674 20 5 FDBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000367519373 260054200 /nfs/dbraw/zinc/05/42/00/260054200.db2.gz NXXKCWLPUPUURI-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373248267 260994641 /nfs/dbraw/zinc/99/46/41/260994641.db2.gz ANOJALDDSYRXGT-UHFFFAOYSA-N 0 2 361.314 1.882 20 5 FDBDLN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000374012585 261065422 /nfs/dbraw/zinc/06/54/22/261065422.db2.gz VUVBLDMZCZDCHB-ZDUSSCGKSA-N 0 2 356.338 1.621 20 5 FDBDLN Cc1nc2nc(N)nn2c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483443431 490316992 /nfs/dbraw/zinc/31/69/92/490316992.db2.gz WXNXSOSQNOPSJR-UHFFFAOYSA-N 0 2 357.330 1.118 20 5 FDBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000023394141 518950977 /nfs/dbraw/zinc/95/09/77/518950977.db2.gz ULUVEWAFGNXVNY-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000028924098 519259043 /nfs/dbraw/zinc/25/90/43/519259043.db2.gz CHQUCSKIUQCBCF-QGZVFWFLSA-N 0 2 370.365 1.637 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(CNC(N)=O)cc1 ZINC000067124141 523327443 /nfs/dbraw/zinc/32/74/43/523327443.db2.gz AWYZVLUIQQQMAL-UHFFFAOYSA-N 0 2 364.383 1.872 20 5 FDBDLN O=C(N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000112402836 524476707 /nfs/dbraw/zinc/47/67/07/524476707.db2.gz JPQXGIQLQHRIEG-GFCCVEGCSA-N 0 2 359.313 1.975 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)ccc1[N+](=O)[O-] ZINC000125001470 525121770 /nfs/dbraw/zinc/12/17/70/525121770.db2.gz ZRVURGXELMFMLW-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000179736093 525620695 /nfs/dbraw/zinc/62/06/95/525620695.db2.gz SIMBDGYYMNKFKA-UHFFFAOYSA-N 0 2 368.353 1.955 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncc(-c2nncn2C)c1 ZINC000129375004 525647956 /nfs/dbraw/zinc/64/79/56/525647956.db2.gz WCEGJEOPWCMIQR-UHFFFAOYSA-N 0 2 374.382 1.895 20 5 FDBDLN Cn1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000108759397 526018168 /nfs/dbraw/zinc/01/81/68/526018168.db2.gz AEIAPIYREWOCEX-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN Cc1nnnn1-c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000185799022 536217950 /nfs/dbraw/zinc/21/79/50/536217950.db2.gz SJZWKKHBEWHRBY-UHFFFAOYSA-N 0 2 358.289 1.976 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)cc1[N+](=O)[O-] ZINC000191797010 537212581 /nfs/dbraw/zinc/21/25/81/537212581.db2.gz NORDBFXWIODGTI-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CCOC(=O)c1csc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000276154581 537307559 /nfs/dbraw/zinc/30/75/59/537307559.db2.gz DOOUTGQLRXIHED-UHFFFAOYSA-N 0 2 365.367 1.906 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)ccc1[N+](=O)[O-] ZINC000278440487 537328089 /nfs/dbraw/zinc/32/80/89/537328089.db2.gz VUGHZVLLQPEOAS-NSHDSACASA-N 0 2 354.344 1.939 20 5 FDBDLN O=[N+]([O-])c1ccc(CCCCNS(=O)(=O)NCC(F)(F)F)cc1 ZINC000195290566 537391701 /nfs/dbraw/zinc/39/17/01/537391701.db2.gz JXQPNIJHMNDVBQ-UHFFFAOYSA-N 0 2 355.338 1.904 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000294385836 537690848 /nfs/dbraw/zinc/69/08/48/537690848.db2.gz MKIGGCVOVXQQTJ-INIZCTEOSA-N 0 2 369.377 1.874 20 5 FDBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000292624780 537749529 /nfs/dbraw/zinc/74/95/29/537749529.db2.gz SCWDIYZLAVTDBS-UHFFFAOYSA-N 0 2 353.360 1.339 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-n2ccnn2)c(F)c1 ZINC000367287221 537952786 /nfs/dbraw/zinc/95/27/86/537952786.db2.gz OVDXVPVGPPZYOO-UHFFFAOYSA-N 0 2 364.318 1.510 20 5 FDBDLN Cc1c(CNC(=O)N=c2ccc(-c3cnn(C)c3)n[nH]2)cccc1[N+](=O)[O-] ZINC000433680882 538265479 /nfs/dbraw/zinc/26/54/79/538265479.db2.gz RZDRIFHBPRLCNU-UHFFFAOYSA-N 0 2 367.369 2.415 20 5 FDBDLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461105309 538503113 /nfs/dbraw/zinc/50/31/13/538503113.db2.gz ALSMBHNPBFHKAK-UHFFFAOYSA-N 0 2 350.356 1.195 20 5 FDBDLN COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000494422085 538543042 /nfs/dbraw/zinc/54/30/42/538543042.db2.gz NTSVZKFEYLTZSX-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000462774016 538659204 /nfs/dbraw/zinc/65/92/04/538659204.db2.gz ITRGPJDDECHXGM-JTQLQIEISA-N 0 2 359.313 1.975 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2cn(CC)nc2C(N)=O)cc1[N+](=O)[O-] ZINC000563136584 546419888 /nfs/dbraw/zinc/41/98/88/546419888.db2.gz XMRRKYAPJHNVHF-UHFFFAOYSA-N 0 2 367.387 1.273 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000565061426 547182541 /nfs/dbraw/zinc/18/25/41/547182541.db2.gz SJXXDVXQKIYNRV-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000565061426 547182544 /nfs/dbraw/zinc/18/25/44/547182544.db2.gz SJXXDVXQKIYNRV-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2cc(N(C)C)ncn2)cc1[N+](=O)[O-] ZINC000578323271 550751605 /nfs/dbraw/zinc/75/16/05/550751605.db2.gz BKYCIFBBDCFYJQ-UHFFFAOYSA-N 0 2 351.388 1.814 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000579275901 550855178 /nfs/dbraw/zinc/85/51/78/550855178.db2.gz UMJXQSAAYSMZRD-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000585817985 551610998 /nfs/dbraw/zinc/61/09/98/551610998.db2.gz YQVVDMRUXVMLAG-IACUBPJLSA-N 0 2 350.371 1.693 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c(F)cc1[N+](=O)[O-] ZINC000590597967 551796594 /nfs/dbraw/zinc/79/65/94/551796594.db2.gz GDYARDOARFTDTG-UHFFFAOYSA-N 0 2 367.358 1.871 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000591279330 551855579 /nfs/dbraw/zinc/85/55/79/551855579.db2.gz CTBVWCKOSPQBHF-JTQLQIEISA-N 0 2 359.333 1.303 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000593283118 552082794 /nfs/dbraw/zinc/08/27/94/552082794.db2.gz GHTCJSRKCUCIRL-UHFFFAOYSA-N 0 2 369.359 1.355 20 5 FDBDLN CNC(=O)c1ccc(=NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]n1 ZINC000593334496 552091213 /nfs/dbraw/zinc/09/12/13/552091213.db2.gz CFIDNHWDWTZDHG-UHFFFAOYSA-N 0 2 357.370 2.294 20 5 FDBDLN CCOC(=O)Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000594463461 552316356 /nfs/dbraw/zinc/31/63/56/552316356.db2.gz ZQXLYDWBIFVPBS-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000594775702 552380349 /nfs/dbraw/zinc/38/03/49/552380349.db2.gz GQINOAYAMYMUKC-XCBNKYQSSA-N 0 2 355.294 1.114 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000594804317 552391470 /nfs/dbraw/zinc/39/14/70/552391470.db2.gz WSKHHDVZEWDEEG-AWEZNQCLSA-N 0 2 372.491 1.454 20 5 FDBDLN COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600452069 553270334 /nfs/dbraw/zinc/27/03/34/553270334.db2.gz VOAMFHSIQUMMQA-JQWIXIFHSA-N 0 2 352.343 1.389 20 5 FDBDLN COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000600464173 553272310 /nfs/dbraw/zinc/27/23/10/553272310.db2.gz YTZAFKIKCBPIGE-MFKMUULPSA-N 0 2 352.343 1.389 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000600668796 553297244 /nfs/dbraw/zinc/29/72/44/553297244.db2.gz AKKFLJCDXQEYGP-UHFFFAOYSA-N 0 2 351.388 1.648 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000600669481 553297567 /nfs/dbraw/zinc/29/75/67/553297567.db2.gz OLIOSELGQUHUAI-UHFFFAOYSA-N 0 2 351.388 1.648 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000600710221 553305618 /nfs/dbraw/zinc/30/56/18/553305618.db2.gz UJYNBVVSDJYCPC-MRXNPFEDSA-N 0 2 351.359 1.871 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000600710221 553305620 /nfs/dbraw/zinc/30/56/20/553305620.db2.gz UJYNBVVSDJYCPC-MRXNPFEDSA-N 0 2 351.359 1.871 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000609661520 554408333 /nfs/dbraw/zinc/40/83/33/554408333.db2.gz QTTWNPHFMXPGGX-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN CCOC(=O)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000610732514 554555491 /nfs/dbraw/zinc/55/54/91/554555491.db2.gz GDGKFMVIPKORHT-UHFFFAOYSA-N 0 2 372.384 1.732 20 5 FDBDLN NC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000613957587 554989712 /nfs/dbraw/zinc/98/97/12/554989712.db2.gz YDMWWSCWKIISGA-UHFFFAOYSA-N 0 2 369.377 1.960 20 5 FDBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000616344083 555293956 /nfs/dbraw/zinc/29/39/56/555293956.db2.gz KUQUAILJVVAIAF-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000481868389 568144074 /nfs/dbraw/zinc/14/40/74/568144074.db2.gz VGKSACRTTGXWSZ-GFCCVEGCSA-N 0 2 368.371 1.979 20 5 FDBDLN O=C(NCCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000436687039 568279350 /nfs/dbraw/zinc/27/93/50/568279350.db2.gz PTHAZHHBBQIACL-UHFFFAOYSA-N 0 2 355.148 1.689 20 5 FDBDLN CC(C)(C)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])no1 ZINC000272372140 674436359 /nfs/dbraw/zinc/43/63/59/674436359.db2.gz AAZVNVKJGWECDC-UHFFFAOYSA-N 0 2 371.331 1.984 20 5 FDBDLN CC1(C)C[N@H+](CCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736736036 599706058 /nfs/dbraw/zinc/70/60/58/599706058.db2.gz SGYQIDKPKPVFEP-UHFFFAOYSA-N 0 2 368.346 1.724 20 5 FDBDLN CC1(C)C[N@@H+](CCNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000736736036 599706061 /nfs/dbraw/zinc/70/60/61/599706061.db2.gz SGYQIDKPKPVFEP-UHFFFAOYSA-N 0 2 368.346 1.724 20 5 FDBDLN C[C@@](CNC(=O)[O-])(NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1 ZINC000738927306 602440170 /nfs/dbraw/zinc/44/01/70/602440170.db2.gz XUMGKEQHLSTAQI-KRWDZBQOSA-N 0 2 373.369 1.947 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834221811 605352430 /nfs/dbraw/zinc/35/24/30/605352430.db2.gz VPRPVIXPLDRLBW-LBPRGKRZSA-N 0 2 371.415 1.348 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000834221811 605352439 /nfs/dbraw/zinc/35/24/39/605352439.db2.gz VPRPVIXPLDRLBW-LBPRGKRZSA-N 0 2 371.415 1.348 20 5 FDBDLN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835296 605364145 /nfs/dbraw/zinc/36/41/45/605364145.db2.gz XHOMZSONQNBNBZ-VXGBXAGGSA-N 0 2 371.415 1.347 20 5 FDBDLN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000833835296 605364154 /nfs/dbraw/zinc/36/41/54/605364154.db2.gz XHOMZSONQNBNBZ-VXGBXAGGSA-N 0 2 371.415 1.347 20 5 FDBDLN CCc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)no1 ZINC000276653865 674746652 /nfs/dbraw/zinc/74/66/52/674746652.db2.gz OKYASLDXGSNUPU-UHFFFAOYSA-N 0 2 371.331 1.866 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2cnn(C(C)C)c2)cc([N+](=O)[O-])c1 ZINC000266527529 673139791 /nfs/dbraw/zinc/13/97/91/673139791.db2.gz DOGQATBWMUTEAP-UHFFFAOYSA-N 0 2 368.371 1.960 20 5 FDBDLN Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000299425516 676534156 /nfs/dbraw/zinc/53/41/56/676534156.db2.gz SSWNDWOMFRSKBA-NSHDSACASA-N 0 2 354.363 1.823 20 5 FDBDLN CCOC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372333249 677898534 /nfs/dbraw/zinc/89/85/34/677898534.db2.gz WEHAKPOJPSPXFG-UHFFFAOYSA-N 0 2 351.359 1.011 20 5 FDBDLN CN1C(=O)CSC12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000376158222 678233462 /nfs/dbraw/zinc/23/34/62/678233462.db2.gz UJSOLMYCAMOHOU-UHFFFAOYSA-N 0 2 351.384 1.438 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(C)nn2c1 ZINC000430356600 681072938 /nfs/dbraw/zinc/07/29/38/681072938.db2.gz LFIWBQSOAWCZBH-UHFFFAOYSA-N 0 2 363.355 1.755 20 5 FDBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncc(C(N)=O)s2)c1[N+](=O)[O-] ZINC000479615156 686036551 /nfs/dbraw/zinc/03/65/51/686036551.db2.gz GWDSDQDDZFVVPT-UHFFFAOYSA-N 0 2 356.385 1.568 20 5 FDBDLN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2o1 ZINC000514765243 689762715 /nfs/dbraw/zinc/76/27/15/689762715.db2.gz LTKWGEMCFYALQG-UHFFFAOYSA-N 0 2 351.296 1.948 20 5 FDBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000516572845 689966926 /nfs/dbraw/zinc/96/69/26/689966926.db2.gz PWDJZSBQRGOJPR-INIZCTEOSA-N 0 2 367.427 1.913 20 5 FDBDLN CCc1cc(NCCCc2n[nH]c(=O)[nH]2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000471256474 771388649 /nfs/dbraw/zinc/38/86/49/771388649.db2.gz GXUYQLXDYNISQT-UHFFFAOYSA-N 0 2 369.385 1.905 20 5 FDBDLN COc1ccc(CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436883031 816775623 /nfs/dbraw/zinc/77/56/23/816775623.db2.gz AKHPBILDSHDQKM-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000426687142 818503048 /nfs/dbraw/zinc/50/30/48/818503048.db2.gz JAOYMDYOIPDUAY-UHFFFAOYSA-N 0 2 369.337 1.928 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(Cc2cccc(O)c2)CC1 ZINC000493965757 872632363 /nfs/dbraw/zinc/63/23/63/872632363.db2.gz VYAPRTMFTJMWON-UHFFFAOYSA-N 0 2 357.366 1.964 20 5 FDBDLN Cn1nccc1[C@@H]1[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000499070905 886276069 /nfs/dbraw/zinc/27/60/69/886276069.db2.gz LKQZTTYQOHHHDF-BONVTDFDSA-N 0 2 359.342 1.192 20 5 FDBDLN CC(C)Cc1noc(CNC2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000940107980 891820680 /nfs/dbraw/zinc/82/06/80/891820680.db2.gz UDMCILCOPDJBNT-CHWSQXEVSA-N 0 2 365.434 1.404 20 5 FDBDLN CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000819551240 943609092 /nfs/dbraw/zinc/60/90/92/943609092.db2.gz FMWVGOFOWGRYKR-NSHDSACASA-N 0 2 369.374 1.258 20 5 FDBDLN O=C([O-])CS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001606291295 973694119 /nfs/dbraw/zinc/69/41/19/973694119.db2.gz GQAFAQVEVTWZJC-CYBMUJFWSA-N 0 2 356.400 1.274 20 5 FDBDLN O=C([O-])CS(=O)(=O)CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001606291295 973694124 /nfs/dbraw/zinc/69/41/24/973694124.db2.gz GQAFAQVEVTWZJC-CYBMUJFWSA-N 0 2 356.400 1.274 20 5 FDBDLN C[C@@](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009005 980233924 /nfs/dbraw/zinc/23/39/24/980233924.db2.gz MERZFDQVQWPWHQ-DIFFPNOSSA-N 0 2 358.354 1.470 20 5 FDBDLN CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc([N+](=O)[O-])cc2O)COC1 ZINC000862298682 984316078 /nfs/dbraw/zinc/31/60/78/984316078.db2.gz BPNUDCXMKZVFOK-UHFFFAOYSA-N 0 2 367.358 1.324 20 5 FDBDLN CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001596880217 985750165 /nfs/dbraw/zinc/75/01/65/985750165.db2.gz XOFOGQXJUASADT-AWEZNQCLSA-N 0 2 362.342 1.342 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443991 986794089 /nfs/dbraw/zinc/79/40/89/986794089.db2.gz HKJZHPLMYZVSJA-QWRGUYRKSA-N 0 2 374.357 1.159 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443991 986794097 /nfs/dbraw/zinc/79/40/97/986794097.db2.gz HKJZHPLMYZVSJA-QWRGUYRKSA-N 0 2 374.357 1.159 20 5 FDBDLN CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC001589585270 987379694 /nfs/dbraw/zinc/37/96/94/987379694.db2.gz LWJLLEAZMNJWIL-UHFFFAOYSA-N 0 2 361.310 1.617 20 5 FDBDLN CSc1cccc(C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599821509 988521527 /nfs/dbraw/zinc/52/15/27/988521527.db2.gz DDDDPXQZZPQIQA-SNVBAGLBSA-N 0 2 350.356 1.466 20 5 FDBDLN CSc1cccc(C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1[N+](=O)[O-] ZINC001599821509 988521535 /nfs/dbraw/zinc/52/15/35/988521535.db2.gz DDDDPXQZZPQIQA-SNVBAGLBSA-N 0 2 350.356 1.466 20 5 FDBDLN CN(C[C@@H](O)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598435225 991817594 /nfs/dbraw/zinc/81/75/94/991817594.db2.gz DBWQHCWFFAJYBA-SNVBAGLBSA-N 0 2 373.793 1.076 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001599590452 993673591 /nfs/dbraw/zinc/67/35/91/993673591.db2.gz BLKZGZQADTVCAC-SNVBAGLBSA-N 0 2 351.359 1.870 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001599590452 993673597 /nfs/dbraw/zinc/67/35/97/993673597.db2.gz BLKZGZQADTVCAC-SNVBAGLBSA-N 0 2 351.359 1.870 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000268763132 180155011 /nfs/dbraw/zinc/15/50/11/180155011.db2.gz IDYZMYRLCLTTMU-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000533183165 540211478 /nfs/dbraw/zinc/21/14/78/540211478.db2.gz MTPGXJIHLFPCND-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CS(=O)(=O)NCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000538870405 540902897 /nfs/dbraw/zinc/90/28/97/540902897.db2.gz CWTJKEKXCZNZSL-UHFFFAOYSA-N 0 2 355.328 1.195 20 5 FDBDLN O=C(CCNS(=O)(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1O ZINC000539973994 541014737 /nfs/dbraw/zinc/01/47/37/541014737.db2.gz HJDARQTUXQRAOP-UHFFFAOYSA-N 0 2 371.396 1.669 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000543764669 541657179 /nfs/dbraw/zinc/65/71/79/541657179.db2.gz XUZCYBFTLQAXFJ-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000545467603 541977744 /nfs/dbraw/zinc/97/77/44/541977744.db2.gz XNDZLWISTLBQSH-LBPRGKRZSA-N 0 2 356.381 1.849 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000545558115 541999096 /nfs/dbraw/zinc/99/90/96/541999096.db2.gz OYHVIRIIDVXWOT-MNOVXSKESA-N 0 2 371.415 1.315 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000545558115 541999098 /nfs/dbraw/zinc/99/90/98/541999098.db2.gz OYHVIRIIDVXWOT-MNOVXSKESA-N 0 2 371.415 1.315 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)c2ccccc2C1 ZINC000552155069 543426862 /nfs/dbraw/zinc/42/68/62/543426862.db2.gz FRLAYIBDZSIUCN-UHFFFAOYSA-N 0 2 362.363 1.730 20 5 FDBDLN CNC(=O)COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000552576843 543486735 /nfs/dbraw/zinc/48/67/35/543486735.db2.gz RSEDUASERPDLGG-UHFFFAOYSA-N 0 2 359.338 1.986 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000131508761 173204922 /nfs/dbraw/zinc/20/49/22/173204922.db2.gz JFTLFQQDBHDLQU-GFCCVEGCSA-N 0 2 352.372 1.862 20 5 FDBDLN NC(=O)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000559146717 544597014 /nfs/dbraw/zinc/59/70/14/544597014.db2.gz KKMVWVRHJOBTJM-GFCCVEGCSA-N 0 2 367.358 1.629 20 5 FDBDLN COc1cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc([N+](=O)[O-])c1C ZINC000560435374 545006101 /nfs/dbraw/zinc/00/61/01/545006101.db2.gz DYGWYFLYGRSRPX-UHFFFAOYSA-N 0 2 361.358 1.755 20 5 FDBDLN O=C1N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)Nc2ccc(N3CCOCC3)cc21 ZINC000299614225 259010465 /nfs/dbraw/zinc/01/04/65/259010465.db2.gz XYUXTTDOJHCWSJ-KRWDZBQOSA-N 0 2 370.365 1.991 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2c(nnc2C(F)(F)F)C1 ZINC000328016741 259050442 /nfs/dbraw/zinc/05/04/42/259050442.db2.gz IMKRWLVKNHYWHN-UHFFFAOYSA-N 0 2 357.248 1.567 20 5 FDBDLN COc1cccc(N2C[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2=O)c1 ZINC000367544263 260059077 /nfs/dbraw/zinc/05/90/77/260059077.db2.gz KCUBQMAORHGLSN-LLVKDONJSA-N 0 2 371.349 1.844 20 5 FDBDLN CCCn1nc2c(cc1=O)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000367698771 260078864 /nfs/dbraw/zinc/07/88/64/260078864.db2.gz QKARCXCMTKOFBV-UHFFFAOYSA-N 0 2 358.354 1.466 20 5 FDBDLN CNC(=O)CN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000368414069 260179489 /nfs/dbraw/zinc/17/94/89/260179489.db2.gz UZXZIACBKFLZPB-UHFFFAOYSA-N 0 2 370.365 1.661 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000375377185 261326794 /nfs/dbraw/zinc/32/67/94/261326794.db2.gz FBRYLQAUIGKJPQ-LBPRGKRZSA-N 0 2 350.371 1.958 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000375670932 261395357 /nfs/dbraw/zinc/39/53/57/261395357.db2.gz DQLAEGMQENGBDT-LLVKDONJSA-N 0 2 357.370 1.858 20 5 FDBDLN COC(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000007054266 518400165 /nfs/dbraw/zinc/40/01/65/518400165.db2.gz DTGUABYCUVSKEK-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN Cc1ccc(NCCCNC(=O)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000156955036 524181376 /nfs/dbraw/zinc/18/13/76/524181376.db2.gz HZZQLSRQGYNVKO-GFCCVEGCSA-N 0 2 355.416 1.256 20 5 FDBDLN NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000147622057 524436412 /nfs/dbraw/zinc/43/64/12/524436412.db2.gz PCWVGEPALSDKRK-UHFFFAOYSA-N 0 2 357.369 1.043 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cnnn2)c([N+](=O)[O-])c1 ZINC000158626924 524501269 /nfs/dbraw/zinc/50/12/69/524501269.db2.gz FUXQLDFOAWLFGY-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(NCCNC(=O)c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000159382131 524657356 /nfs/dbraw/zinc/65/73/56/524657356.db2.gz QSQMCMCVYITHPW-UHFFFAOYSA-N 0 2 365.292 1.738 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166124575 525573221 /nfs/dbraw/zinc/57/32/21/525573221.db2.gz KPODNUJQWUXLTD-UHFFFAOYSA-N 0 2 357.326 1.434 20 5 FDBDLN CCc1nn(C)c(OC)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000271701875 674372491 /nfs/dbraw/zinc/37/24/91/674372491.db2.gz QIEPMEPBPXQNAW-UHFFFAOYSA-N 0 2 372.378 1.517 20 5 FDBDLN Cn1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000108759463 526019352 /nfs/dbraw/zinc/01/93/52/526019352.db2.gz NYYQQJGLZZYQCG-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000184886596 536189699 /nfs/dbraw/zinc/18/96/99/536189699.db2.gz MEQPPZYEBOAIPX-ABAIWWIYSA-N 0 2 359.382 1.916 20 5 FDBDLN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185137226 536199994 /nfs/dbraw/zinc/19/99/94/536199994.db2.gz GJVBKXXQUQPVRE-XHDPSFHLSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(F)c1 ZINC000185860959 536219501 /nfs/dbraw/zinc/21/95/01/536219501.db2.gz XYLWMXSQNMOWBI-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3[O-])c[nH+]2)CCO1 ZINC000267916383 537002008 /nfs/dbraw/zinc/00/20/08/537002008.db2.gz HNGVRYBYEHHCAE-GFCCVEGCSA-N 0 2 372.381 1.851 20 5 FDBDLN NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000320713694 537612727 /nfs/dbraw/zinc/61/27/27/537612727.db2.gz KTXQZJWWOWWYPE-UHFFFAOYSA-N 0 2 357.369 1.043 20 5 FDBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1[C@@H]1CCOC1 ZINC000451100464 538186168 /nfs/dbraw/zinc/18/61/68/538186168.db2.gz UHYGSXRQTYTMLN-GFCCVEGCSA-N 0 2 352.372 1.862 20 5 FDBDLN COC(=O)C[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccncc1 ZINC000436701652 538413201 /nfs/dbraw/zinc/41/32/01/538413201.db2.gz FBBDAYGSPJQJKQ-KRWDZBQOSA-N 0 2 359.338 1.904 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCS(=O)(=O)c2ccccc2C1 ZINC000482254714 538622498 /nfs/dbraw/zinc/62/24/98/538622498.db2.gz CSDOYRPWVZVLGT-UHFFFAOYSA-N 0 2 362.363 1.730 20 5 FDBDLN COC(=O)c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000563965493 546757774 /nfs/dbraw/zinc/75/77/74/546757774.db2.gz YWNKHQXLICKQHI-UHFFFAOYSA-N 0 2 358.303 1.592 20 5 FDBDLN O=C(CNS(=O)(=O)c1ccccc1F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000565687385 547443313 /nfs/dbraw/zinc/44/33/13/547443313.db2.gz GRHPBNCIWGPEMA-UHFFFAOYSA-N 0 2 369.330 1.357 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572074939 549836349 /nfs/dbraw/zinc/83/63/49/549836349.db2.gz CQQHQGZIZLHGAA-LLVKDONJSA-N 0 2 360.374 1.545 20 5 FDBDLN COc1ccc(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000577041925 550613609 /nfs/dbraw/zinc/61/36/09/550613609.db2.gz RKDWYUIFJJCLAO-NSHDSACASA-N 0 2 361.358 1.376 20 5 FDBDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(F)c1 ZINC000589657473 551740870 /nfs/dbraw/zinc/74/08/70/551740870.db2.gz KIWXXJLDENLEQY-UHFFFAOYSA-N 0 2 354.319 1.310 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@H](OC)C1CCOCC1 ZINC000592350236 551983280 /nfs/dbraw/zinc/98/32/80/551983280.db2.gz BBESEIDIFWGNDW-HNNXBMFYSA-N 0 2 374.415 1.787 20 5 FDBDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000592903645 552041250 /nfs/dbraw/zinc/04/12/50/552041250.db2.gz WRDKEVSCHYAHBK-ZDUSSCGKSA-N 0 2 361.276 1.441 20 5 FDBDLN CCOC(=O)Cn1nc(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593280143 552081897 /nfs/dbraw/zinc/08/18/97/552081897.db2.gz BRSVAOFAPNNYKX-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN CC(C)n1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000593285448 552083172 /nfs/dbraw/zinc/08/31/72/552083172.db2.gz RZBGUZXVJBEUEH-UHFFFAOYSA-N 0 2 369.359 1.339 20 5 FDBDLN CNC(=O)c1ccc(=NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH]n1 ZINC000593334749 552091246 /nfs/dbraw/zinc/09/12/46/552091246.db2.gz MJXWLSLFHLADSV-UHFFFAOYSA-N 0 2 370.369 1.597 20 5 FDBDLN COCc1nccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000594728019 552365365 /nfs/dbraw/zinc/36/53/65/552365365.db2.gz CAGMRNUKGQUWQU-UHFFFAOYSA-N 0 2 352.372 1.949 20 5 FDBDLN C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000594756812 552372384 /nfs/dbraw/zinc/37/23/84/552372384.db2.gz JQXWLQUHTIWKDP-QMMMGPOBSA-N 0 2 355.376 1.710 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(F)(F)F ZINC000600667196 553296860 /nfs/dbraw/zinc/29/68/60/553296860.db2.gz WQJUASTVUKHGKO-UHFFFAOYSA-N 0 2 371.322 1.913 20 5 FDBDLN O=C([O-])c1ccc[nH+]c1N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000603856125 553821680 /nfs/dbraw/zinc/82/16/80/553821680.db2.gz JBXYCVWZPYAEGP-UHFFFAOYSA-N 0 2 362.367 1.712 20 5 FDBDLN COc1ccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000604175591 553849267 /nfs/dbraw/zinc/84/92/67/553849267.db2.gz PHQHTZAESZWAJN-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN C[C@@H]1CCCN(c2ccc(C(=O)N=c3cc(C(N)=O)[nH][nH]3)cc2[N+](=O)[O-])C1 ZINC000611141440 554609133 /nfs/dbraw/zinc/60/91/33/554609133.db2.gz BOOAKDQYQPNIEK-SNVBAGLBSA-N 0 2 372.385 1.905 20 5 FDBDLN Cc1oc(C)c(S(N)(=O)=O)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294637 554623789 /nfs/dbraw/zinc/62/37/89/554623789.db2.gz IOQRJKJLNQKZDB-UHFFFAOYSA-N 0 2 355.328 1.410 20 5 FDBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c[nH]1 ZINC000618907146 555694522 /nfs/dbraw/zinc/69/45/22/555694522.db2.gz VGBKJJUEAJMSRG-UHFFFAOYSA-N 0 2 354.344 1.604 20 5 FDBDLN C[C@@H](Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000736672469 599778248 /nfs/dbraw/zinc/77/82/48/599778248.db2.gz PUTCVQQRQCYHIK-NXEZZACHSA-N 0 2 368.346 1.722 20 5 FDBDLN O=C([O-])CCSCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000739744317 600252363 /nfs/dbraw/zinc/25/23/63/600252363.db2.gz MMGMTIPBXVBGKO-UHFFFAOYSA-N 0 2 364.383 1.718 20 5 FDBDLN O=C([O-])Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cn1 ZINC000739912342 600524774 /nfs/dbraw/zinc/52/47/74/600524774.db2.gz WKGJTOPEUDVCPV-UHFFFAOYSA-N 0 2 356.298 1.314 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000832905867 601259637 /nfs/dbraw/zinc/25/96/37/601259637.db2.gz XOUXYORCELQZRS-GFCCVEGCSA-N 0 2 371.415 1.073 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739502776 601961083 /nfs/dbraw/zinc/96/10/83/601961083.db2.gz YFNPQSPEKLXNES-NSHDSACASA-N 0 2 366.374 1.522 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000739502776 601961087 /nfs/dbraw/zinc/96/10/87/601961087.db2.gz YFNPQSPEKLXNES-NSHDSACASA-N 0 2 366.374 1.522 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000829224801 603581600 /nfs/dbraw/zinc/58/16/00/603581600.db2.gz LWMGSYUSFDOMPP-GFCCVEGCSA-N 0 2 366.374 1.616 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000829224801 603581605 /nfs/dbraw/zinc/58/16/05/603581605.db2.gz LWMGSYUSFDOMPP-GFCCVEGCSA-N 0 2 366.374 1.616 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829453371 603584456 /nfs/dbraw/zinc/58/44/56/603584456.db2.gz FHIKLILTEDVXKA-LLVKDONJSA-N 0 2 366.374 1.616 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CN(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000829453371 603584458 /nfs/dbraw/zinc/58/44/58/603584458.db2.gz FHIKLILTEDVXKA-LLVKDONJSA-N 0 2 366.374 1.616 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271292 604024705 /nfs/dbraw/zinc/02/47/05/604024705.db2.gz DYPORORRQYCLKT-GHMZBOCLSA-N 0 2 364.358 1.828 20 5 FDBDLN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000825271292 604024708 /nfs/dbraw/zinc/02/47/08/604024708.db2.gz DYPORORRQYCLKT-GHMZBOCLSA-N 0 2 364.358 1.828 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](CNC(=O)[O-])C1 ZINC000828506144 604410354 /nfs/dbraw/zinc/41/03/54/604410354.db2.gz FCAHQMJOMBFHAY-LLVKDONJSA-N 0 2 361.358 1.100 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H](CNC(=O)[O-])C1 ZINC000828506144 604410358 /nfs/dbraw/zinc/41/03/58/604410358.db2.gz FCAHQMJOMBFHAY-LLVKDONJSA-N 0 2 361.358 1.100 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2)c(C)c1[N+](=O)[O-] ZINC000276909822 674803494 /nfs/dbraw/zinc/80/34/94/674803494.db2.gz OTBHEXKLQRDRST-UHFFFAOYSA-N 0 2 355.332 1.654 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000278308822 675120419 /nfs/dbraw/zinc/12/04/19/675120419.db2.gz DYVIDEYIFDGGJE-UHFFFAOYSA-N 0 2 373.303 1.223 20 5 FDBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000172882975 672072527 /nfs/dbraw/zinc/07/25/27/672072527.db2.gz ZXVYRMVXTWJPCW-UHFFFAOYSA-N 0 2 353.331 1.942 20 5 FDBDLN CCOC(=O)c1csc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436819537 681733167 /nfs/dbraw/zinc/73/31/67/681733167.db2.gz YLLGAJYLQPURCX-UHFFFAOYSA-N 0 2 365.367 1.906 20 5 FDBDLN CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436950633 681746645 /nfs/dbraw/zinc/74/66/45/681746645.db2.gz PROMVWUNCMIQHT-UHFFFAOYSA-N 0 2 364.379 1.775 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000509558780 689282337 /nfs/dbraw/zinc/28/23/37/689282337.db2.gz OBAPPUURAAPMLD-UHFFFAOYSA-N 0 2 365.367 1.568 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000520889012 690364967 /nfs/dbraw/zinc/36/49/67/690364967.db2.gz UCCXCTUSEZRWHO-LLVKDONJSA-N 0 2 367.387 1.128 20 5 FDBDLN C[C@H]1CCCN(c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2[N+](=O)[O-])C1 ZINC000479749334 783192159 /nfs/dbraw/zinc/19/21/59/783192159.db2.gz SFAZBBLZYMZUOC-JTQLQIEISA-N 0 2 360.374 1.585 20 5 FDBDLN CCn1nccc1N1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000276709365 779023841 /nfs/dbraw/zinc/02/38/41/779023841.db2.gz PSYJWZOVFWSVTH-ZDUSSCGKSA-N 0 2 373.369 1.442 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)CCO2 ZINC000436939807 816803727 /nfs/dbraw/zinc/80/37/27/816803727.db2.gz REMKYHSCUXKNGA-MRXNPFEDSA-N 0 2 372.333 1.879 20 5 FDBDLN NC(=O)c1ccn(-c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)n1 ZINC000509210999 882299800 /nfs/dbraw/zinc/29/98/00/882299800.db2.gz LNMDKOLZLYLNKP-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC001005377363 883152504 /nfs/dbraw/zinc/15/25/04/883152504.db2.gz CUSANYIIKWJNHA-CHWSQXEVSA-N 0 2 364.450 1.190 20 5 FDBDLN N=C1NC(=O)[C@H](CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)S1 ZINC000765841558 896748454 /nfs/dbraw/zinc/74/84/54/896748454.db2.gz QGKWDBHYLFLNHS-GXFFZTMASA-N 0 2 366.424 1.725 20 5 FDBDLN COC(=O)c1c(C)[nH]nc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000750980632 907517989 /nfs/dbraw/zinc/51/79/89/907517989.db2.gz UPJIELGTWDYGNE-UHFFFAOYSA-N 0 2 355.328 1.489 20 5 FDBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000766891635 928981440 /nfs/dbraw/zinc/98/14/40/928981440.db2.gz IFOJGLMQARYUSZ-UHFFFAOYSA-N 0 2 356.747 1.543 20 5 FDBDLN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000807973831 940508236 /nfs/dbraw/zinc/50/82/36/940508236.db2.gz KKXKAQXTWLGYAW-UHFFFAOYSA-N 0 2 350.310 1.160 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(-c2c([N+](=O)[O-])ncn2C)no1 ZINC000809475877 940842995 /nfs/dbraw/zinc/84/29/95/940842995.db2.gz AGKZZDZZWSXSPN-LURJTMIESA-N 0 2 362.268 1.754 20 5 FDBDLN Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC000820797020 944216496 /nfs/dbraw/zinc/21/64/96/944216496.db2.gz BSHNTSYRJPRWSS-UHFFFAOYSA-N 0 2 363.149 1.850 20 5 FDBDLN COC(=O)[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(F)(F)F ZINC001171015158 945681242 /nfs/dbraw/zinc/68/12/42/945681242.db2.gz MBGRILXWTPYKGR-VIFPVBQESA-N 0 2 356.278 1.514 20 5 FDBDLN COc1ccc(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000845437199 949205618 /nfs/dbraw/zinc/20/56/18/949205618.db2.gz TYUIQGOWPRUFOQ-JTQLQIEISA-N 0 2 368.371 1.256 20 5 FDBDLN Cc1cc(C[N@@H+]2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)no1 ZINC001332520997 961589990 /nfs/dbraw/zinc/58/99/90/961589990.db2.gz YHCMYUYQSXVYPO-UHFFFAOYSA-N 0 2 361.358 1.697 20 5 FDBDLN Cc1cc(C[N@H+]2CCCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)no1 ZINC001332520997 961590006 /nfs/dbraw/zinc/59/00/06/961590006.db2.gz YHCMYUYQSXVYPO-UHFFFAOYSA-N 0 2 361.358 1.697 20 5 FDBDLN CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000774062131 961647487 /nfs/dbraw/zinc/64/74/87/961647487.db2.gz NCIWHLSSXQJKCR-UHFFFAOYSA-N 0 2 369.374 1.260 20 5 FDBDLN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1n[nH]c(=S)o1 ZINC000776535739 978984175 /nfs/dbraw/zinc/98/41/75/978984175.db2.gz JKAMPNUZOYDWJF-UHFFFAOYSA-N 0 2 351.388 1.818 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000796531305 1014734742 /nfs/dbraw/zinc/73/47/42/1014734742.db2.gz XWTFQGFKLPMOIS-JTQLQIEISA-N 0 2 373.325 1.930 20 5 FDBDLN CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000860735287 983500351 /nfs/dbraw/zinc/50/03/51/983500351.db2.gz BAUVKGXHRWMDEW-MFKMUULPSA-N 0 2 367.358 1.921 20 5 FDBDLN C[C@@H]1CN(CCC(=O)[O-])CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001594521685 985995146 /nfs/dbraw/zinc/99/51/46/985995146.db2.gz JEKHVNKXCUCCBH-CYBMUJFWSA-N 0 2 364.402 1.404 20 5 FDBDLN C[C@@H]1CN(CCC(=O)[O-])CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001594521685 985995153 /nfs/dbraw/zinc/99/51/53/985995153.db2.gz JEKHVNKXCUCCBH-CYBMUJFWSA-N 0 2 364.402 1.404 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1 ZINC000362319415 988632520 /nfs/dbraw/zinc/63/25/20/988632520.db2.gz QBYSLFLOOBVMDK-DZGCQCFKSA-N 0 2 363.370 1.799 20 5 FDBDLN CCn1c[nH+]c2c1CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C2 ZINC001597923229 989862231 /nfs/dbraw/zinc/86/22/31/989862231.db2.gz YDFUYCAMHBLDHH-UHFFFAOYSA-N 0 2 360.370 1.833 20 5 FDBDLN Cc1cc(C)c(S(=O)(=O)Nc2cncnc2-n2cccn2)cc1[N+](=O)[O-] ZINC000191918173 178077074 /nfs/dbraw/zinc/07/70/74/178077074.db2.gz MNFJFUMHLAHGIH-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000512915917 538983019 /nfs/dbraw/zinc/98/30/19/538983019.db2.gz DDCAYXMHCFRWIU-SNVBAGLBSA-N 0 2 354.326 1.767 20 5 FDBDLN Nc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1[N+](=O)[O-] ZINC000269728960 180372419 /nfs/dbraw/zinc/37/24/19/180372419.db2.gz XMKGCAMFHZSMNF-JTQLQIEISA-N 0 2 353.360 1.136 20 5 FDBDLN CCCCNC(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274710792 181152050 /nfs/dbraw/zinc/15/20/50/181152050.db2.gz XWWBZKCETDCMLS-GFCCVEGCSA-N 0 2 353.400 1.732 20 5 FDBDLN CCC1(CC)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000535504759 540478543 /nfs/dbraw/zinc/47/85/43/540478543.db2.gz VBCWPHWITBDIBU-UHFFFAOYSA-N 0 2 350.331 1.350 20 5 FDBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1-c1ccc(=O)[nH]n1 ZINC000536313227 540578237 /nfs/dbraw/zinc/57/82/37/540578237.db2.gz PWYFSRIQWBDLFI-UHFFFAOYSA-N 0 2 356.298 1.542 20 5 FDBDLN O=C(NC[C@H](O)COc1ccc(F)c(F)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000540587614 541078459 /nfs/dbraw/zinc/07/84/59/541078459.db2.gz PABLIUFDHWOBKX-VIFPVBQESA-N 0 2 368.292 1.748 20 5 FDBDLN CCS(=O)(=O)N1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000541743399 541258090 /nfs/dbraw/zinc/25/80/90/541258090.db2.gz OFTYVLIJQPGSKB-UHFFFAOYSA-N 0 2 371.415 1.092 20 5 FDBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ncccn2)c1 ZINC000541782067 541264166 /nfs/dbraw/zinc/26/41/66/541264166.db2.gz NYGBUFFNLBRZLD-UHFFFAOYSA-N 0 2 359.161 1.948 20 5 FDBDLN CCO[C@@H]1C[C@](NC(=O)c2ccc([N+](=O)[O-])cc2O)(C(=O)OC)C1(C)C ZINC000275555503 181350419 /nfs/dbraw/zinc/35/04/19/181350419.db2.gz IHOARQMPZYZLGG-DYVFJYSZSA-N 0 2 366.370 1.777 20 5 FDBDLN CCO[C@@H]1C[C@](NC(=O)c2cc([N+](=O)[O-])ccc2O)(C(=O)OC)C1(C)C ZINC000275606460 181365905 /nfs/dbraw/zinc/36/59/05/181365905.db2.gz MLWXRIKQLXTRRL-DYVFJYSZSA-N 0 2 366.370 1.777 20 5 FDBDLN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000286208970 183014643 /nfs/dbraw/zinc/01/46/43/183014643.db2.gz GELTXCHHWLNNRO-ZDUSSCGKSA-N 0 2 362.260 1.868 20 5 FDBDLN COc1cccc(-c2nc(=NC(=O)c3ccnc(N)c3[N+](=O)[O-])s[nH]2)c1 ZINC000548715014 542760973 /nfs/dbraw/zinc/76/09/73/542760973.db2.gz PFVKWUXNLBJMBN-UHFFFAOYSA-N 0 2 372.366 1.773 20 5 FDBDLN CN(C)c1n[nH]c(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000550131014 543015828 /nfs/dbraw/zinc/01/58/28/543015828.db2.gz ARRHEIZCFQAPPG-UHFFFAOYSA-N 0 2 360.374 1.504 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)CC(C)(C)C(=O)OC)cc([N+](=O)[O-])c1 ZINC000554687491 543853369 /nfs/dbraw/zinc/85/33/69/543853369.db2.gz LOGXAFCYBFAMNV-UHFFFAOYSA-N 0 2 374.371 1.322 20 5 FDBDLN CCOC(=O)c1c[nH]n(C2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c1=N ZINC000367516885 260054271 /nfs/dbraw/zinc/05/42/71/260054271.db2.gz HVKNCMFYHXYWDJ-UHFFFAOYSA-N 0 2 374.401 1.925 20 5 FDBDLN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000367755140 260086471 /nfs/dbraw/zinc/08/64/71/260086471.db2.gz NUAUQDYFUOXZTA-JQWIXIFHSA-N 0 2 352.343 1.483 20 5 FDBDLN O=C(N[C@H]1CCCN(c2cccnc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368284568 260161270 /nfs/dbraw/zinc/16/12/70/260161270.db2.gz LVKQYWKBRZUHNE-ZDUSSCGKSA-N 0 2 356.338 1.621 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(N2C(=O)CCCC2=O)CC1 ZINC000368872420 260252476 /nfs/dbraw/zinc/25/24/76/260252476.db2.gz KAROOCQHPLBBNT-UHFFFAOYSA-N 0 2 361.354 1.444 20 5 FDBDLN Cc1cc(C(=O)NC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)no1 ZINC000368926877 260262338 /nfs/dbraw/zinc/26/23/38/260262338.db2.gz ZPGNVUOCXWQFDN-UHFFFAOYSA-N 0 2 374.353 1.631 20 5 FDBDLN COc1ccc(CNC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000064741446 522749372 /nfs/dbraw/zinc/74/93/72/522749372.db2.gz PIVVORWSHFKYBK-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000054040719 523558667 /nfs/dbraw/zinc/55/86/67/523558667.db2.gz RGUNYCDYOAIYFR-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)s1 ZINC000135806843 524170233 /nfs/dbraw/zinc/17/02/33/524170233.db2.gz FEGUHIOOCAJMHL-UHFFFAOYSA-N 0 2 352.357 1.433 20 5 FDBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2ncccn2n1 ZINC000172674679 524259209 /nfs/dbraw/zinc/25/92/09/524259209.db2.gz ZOASHUDUWNCFDJ-UHFFFAOYSA-N 0 2 354.735 1.487 20 5 FDBDLN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000175832029 525014716 /nfs/dbraw/zinc/01/47/16/525014716.db2.gz PHKLNCMVDRETBO-VIFPVBQESA-N 0 2 354.326 1.623 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(-c3ncccn3)c2)cc1C ZINC000154518964 525559128 /nfs/dbraw/zinc/55/91/28/525559128.db2.gz GBMSAUPJXHQGBT-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179389348 525573652 /nfs/dbraw/zinc/57/36/52/525573652.db2.gz PWBFJPTWMHDZRM-UHFFFAOYSA-N 0 2 355.350 1.899 20 5 FDBDLN CN(C)C(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000179515819 525594787 /nfs/dbraw/zinc/59/47/87/525594787.db2.gz RTBPOHQGUNNILK-UHFFFAOYSA-N 0 2 357.366 1.975 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000171155976 525874817 /nfs/dbraw/zinc/87/48/17/525874817.db2.gz LGSJVWBZVQCYIK-NSHDSACASA-N 0 2 352.372 1.629 20 5 FDBDLN O=C([O-])C1C[NH+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000263525503 537043070 /nfs/dbraw/zinc/04/30/70/537043070.db2.gz TVTVUAFUASYLEQ-UHFFFAOYSA-N 0 2 362.123 1.716 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2cnn(C)c2)o1 ZINC000190363447 537168302 /nfs/dbraw/zinc/16/83/02/537168302.db2.gz KTAOVCPAOSEQPA-UHFFFAOYSA-N 0 2 364.343 1.488 20 5 FDBDLN CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280855485 537475637 /nfs/dbraw/zinc/47/56/37/537475637.db2.gz CXGQKIYPHGSDTN-ONGXEEELSA-N 0 2 353.400 1.730 20 5 FDBDLN O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280959461 537486960 /nfs/dbraw/zinc/48/69/60/537486960.db2.gz NCJUTBMKCRWFKA-NSHDSACASA-N 0 2 351.384 1.342 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCNC(=O)[C@@H]1Cc1ccccc1 ZINC000293819685 537599052 /nfs/dbraw/zinc/59/90/52/537599052.db2.gz AWWUVXWAAAAKFF-INIZCTEOSA-N 0 2 369.377 1.874 20 5 FDBDLN CCOC(=O)c1coc(NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000418813262 537776087 /nfs/dbraw/zinc/77/60/87/537776087.db2.gz CSTLPWGPAOIIFR-UHFFFAOYSA-N 0 2 365.342 2.431 20 5 FDBDLN CCc1cc(NS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)n(C)n1 ZINC000416415748 537832108 /nfs/dbraw/zinc/83/21/08/537832108.db2.gz IXKZOIYKSQNADG-UHFFFAOYSA-N 0 2 368.371 1.478 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)c([N+](=O)[O-])n1 ZINC000446775968 538318611 /nfs/dbraw/zinc/31/86/11/538318611.db2.gz ZXLPLXBXZLVCRL-UHFFFAOYSA-N 0 2 358.380 1.584 20 5 FDBDLN Cc1nn2cc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cnc2c1Cl ZINC000461106116 538503258 /nfs/dbraw/zinc/50/32/58/538503258.db2.gz GKYNOYOTUHEODF-UHFFFAOYSA-N 0 2 368.762 1.217 20 5 FDBDLN COc1ccc(-c2n[nH]c(NC(=O)c3c([N+](=O)[O-])cnn3C)n2)c(OC)c1 ZINC000501125239 538625356 /nfs/dbraw/zinc/62/53/56/538625356.db2.gz NHNUJFYJTLMQSZ-UHFFFAOYSA-N 0 2 373.329 1.383 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000564703729 547007051 /nfs/dbraw/zinc/00/70/51/547007051.db2.gz AOCFETXZTUMKKO-UHFFFAOYSA-N 0 2 354.319 1.310 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)n1 ZINC000571332487 549608671 /nfs/dbraw/zinc/60/86/71/549608671.db2.gz XVAMENFSFAXQKV-NEPJUHHUSA-N 0 2 350.375 1.296 20 5 FDBDLN CN(CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000571448143 549648770 /nfs/dbraw/zinc/64/87/70/549648770.db2.gz TZGPLIDYBUJICZ-LLVKDONJSA-N 0 2 360.374 1.261 20 5 FDBDLN C[C@@H](C(=O)Nc1nnc(NS(C)(=O)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000576535088 550560031 /nfs/dbraw/zinc/56/00/31/550560031.db2.gz KRZFOXGNORHFPK-SSDOTTSWSA-N 0 2 371.400 1.560 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000580196836 550954208 /nfs/dbraw/zinc/95/42/08/550954208.db2.gz FVDUWCJLQMWFFQ-LLVKDONJSA-N 0 2 373.369 1.920 20 5 FDBDLN C[C@H]1CN(c2ccc(CNc3nc(C(=O)[O-])ccc3[N+](=O)[O-])c[nH+]2)CCO1 ZINC000580196837 550954231 /nfs/dbraw/zinc/95/42/31/550954231.db2.gz FVDUWCJLQMWFFQ-NSHDSACASA-N 0 2 373.369 1.920 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000580881338 551028046 /nfs/dbraw/zinc/02/80/46/551028046.db2.gz YSQLXEURBNWGMI-NSHDSACASA-N 0 2 367.387 1.128 20 5 FDBDLN CC(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000585708084 551584931 /nfs/dbraw/zinc/58/49/31/551584931.db2.gz RLPJKUCKVBLYGN-ONGXEEELSA-N 0 2 374.312 1.960 20 5 FDBDLN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1ccc2cn[nH]c2c1 ZINC000588048424 551643253 /nfs/dbraw/zinc/64/32/53/551643253.db2.gz YIMSCOIMTJRKAQ-UHFFFAOYSA-N 0 2 361.383 1.773 20 5 FDBDLN Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000588833943 551691328 /nfs/dbraw/zinc/69/13/28/551691328.db2.gz OYBXBZAMVZTDMY-UHFFFAOYSA-N 0 2 370.369 1.573 20 5 FDBDLN Cn1cc(CN(CCn2cc[nH+]c2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000588833943 551691329 /nfs/dbraw/zinc/69/13/29/551691329.db2.gz OYBXBZAMVZTDMY-UHFFFAOYSA-N 0 2 370.369 1.573 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000593306074 552086320 /nfs/dbraw/zinc/08/63/20/552086320.db2.gz XBDRXGLRNJLYDR-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN CCOC(=O)Cn1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000594465334 552316625 /nfs/dbraw/zinc/31/66/25/552316625.db2.gz BNROFQCVAVRKHQ-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c(C)c1[N+](=O)[O-] ZINC000598734418 552928980 /nfs/dbraw/zinc/92/89/80/552928980.db2.gz MAOKLEWUUUOZBI-UHFFFAOYSA-N 0 2 351.388 1.940 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c[nH+]ccc2N2CCCC2)n1 ZINC000600668364 553297200 /nfs/dbraw/zinc/29/72/00/553297200.db2.gz LRFSYODYNDILMQ-UHFFFAOYSA-N 0 2 352.376 1.124 20 5 FDBDLN Cc1nn(C)c(N2CCC2)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600669156 553297223 /nfs/dbraw/zinc/29/72/23/553297223.db2.gz ILKJTKYCGUPPSD-UHFFFAOYSA-N 0 2 351.388 1.648 20 5 FDBDLN O=C(NC[C@@H]1CN(Cc2ccncc2)CCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600680849 553299199 /nfs/dbraw/zinc/29/91/99/553299199.db2.gz HQLWUPHTIGPVAP-OAHLLOKOSA-N 0 2 372.381 1.326 20 5 FDBDLN COC(=O)c1nscc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619467967 555782272 /nfs/dbraw/zinc/78/22/72/555782272.db2.gz PNLYACWLUZVPMA-UHFFFAOYSA-N 0 2 373.368 1.647 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366015015 567926936 /nfs/dbraw/zinc/92/69/36/567926936.db2.gz ZODMDGQGPVOWMF-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN CNS(=O)(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C ZINC000436635961 568158210 /nfs/dbraw/zinc/15/82/10/568158210.db2.gz NQIFBHZWHSFEMJ-UHFFFAOYSA-N 0 2 365.367 1.769 20 5 FDBDLN O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675985 568289794 /nfs/dbraw/zinc/28/97/94/568289794.db2.gz ZEXSRTWXSNKJAQ-MRXNPFEDSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675985 568289796 /nfs/dbraw/zinc/28/97/96/568289796.db2.gz ZEXSRTWXSNKJAQ-MRXNPFEDSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCO1 ZINC000262118384 601741148 /nfs/dbraw/zinc/74/11/48/601741148.db2.gz PELVMLUFBXGIRG-GFCCVEGCSA-N 0 2 360.326 1.096 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738631220 601977797 /nfs/dbraw/zinc/97/77/97/601977797.db2.gz MQLYJRHARQDLNY-BXUZGUMPSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738631220 601977798 /nfs/dbraw/zinc/97/77/98/601977798.db2.gz MQLYJRHARQDLNY-BXUZGUMPSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641239 601979536 /nfs/dbraw/zinc/97/95/36/601979536.db2.gz ZJQPNBGMJORXBK-NEPJUHHUSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738641239 601979540 /nfs/dbraw/zinc/97/95/40/601979540.db2.gz ZJQPNBGMJORXBK-NEPJUHHUSA-N 0 2 350.375 1.996 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740152285 602768064 /nfs/dbraw/zinc/76/80/64/602768064.db2.gz JCPOQUBJJULTLA-YPMHNXCESA-N 0 2 350.375 1.820 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000740152285 602768066 /nfs/dbraw/zinc/76/80/66/602768066.db2.gz JCPOQUBJJULTLA-YPMHNXCESA-N 0 2 350.375 1.820 20 5 FDBDLN C[C@H]1C[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739193369 603393621 /nfs/dbraw/zinc/39/36/21/603393621.db2.gz SZQDSIPQGZFNEH-GXSJLCMTSA-N 0 2 350.331 1.438 20 5 FDBDLN C[C@H]1C[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC[C@H]1NC(=O)[O-] ZINC000739193369 603393622 /nfs/dbraw/zinc/39/36/22/603393622.db2.gz SZQDSIPQGZFNEH-GXSJLCMTSA-N 0 2 350.331 1.438 20 5 FDBDLN Cc1nn(C[NH+]2CCC(OCCCNC(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000830871932 604150358 /nfs/dbraw/zinc/15/03/58/604150358.db2.gz XNZRFZILBHOQFL-UHFFFAOYSA-N 0 2 355.395 1.504 20 5 FDBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1nnc(C3CC3)o1)OCCO2 ZINC000278304425 675119506 /nfs/dbraw/zinc/11/95/06/675119506.db2.gz DGAXEZWOWNQBHP-UHFFFAOYSA-N 0 2 368.327 1.427 20 5 FDBDLN CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000290752071 676228981 /nfs/dbraw/zinc/22/89/81/676228981.db2.gz PWMWMKYAWQTPLZ-GFCCVEGCSA-N 0 2 355.347 1.779 20 5 FDBDLN COCCOC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCOCC1 ZINC000295810707 676411420 /nfs/dbraw/zinc/41/14/20/676411420.db2.gz STPZDCFFTQELDV-UHFFFAOYSA-N 0 2 354.359 1.242 20 5 FDBDLN CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)cn1 ZINC000326462622 676583312 /nfs/dbraw/zinc/58/33/12/676583312.db2.gz WBGVEDDWMYCUOV-UHFFFAOYSA-N 0 2 354.344 1.399 20 5 FDBDLN CCCc1n[nH]c(C(=O)N2CCC(C3N=NC(=S)O3)CC2)c1[N+](=O)[O-] ZINC000372662950 677956243 /nfs/dbraw/zinc/95/62/43/677956243.db2.gz FPYAZNVCNAOBIF-UHFFFAOYSA-N 0 2 366.403 1.962 20 5 FDBDLN CCCc1[nH]nc(C(=O)N2CCC(C3N=NC(=S)O3)CC2)c1[N+](=O)[O-] ZINC000372662950 677956246 /nfs/dbraw/zinc/95/62/46/677956246.db2.gz FPYAZNVCNAOBIF-UHFFFAOYSA-N 0 2 366.403 1.962 20 5 FDBDLN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000474380653 685400070 /nfs/dbraw/zinc/40/00/70/685400070.db2.gz TTXUVTQQSJBOSI-UHFFFAOYSA-N 0 2 366.355 1.198 20 5 FDBDLN CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1S(N)(=O)=O ZINC000436867078 681740202 /nfs/dbraw/zinc/74/02/02/681740202.db2.gz ADJDJKWHWRKQIN-UHFFFAOYSA-N 0 2 365.367 1.763 20 5 FDBDLN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCCOC1 ZINC000436917024 681743328 /nfs/dbraw/zinc/74/33/28/681743328.db2.gz CHURHBFZWOIQIJ-QMTHXVAHSA-N 0 2 352.343 1.389 20 5 FDBDLN CNS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436970363 681748995 /nfs/dbraw/zinc/74/89/95/681748995.db2.gz DXBSJVOLKWAUJI-UHFFFAOYSA-N 0 2 351.340 1.461 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c([N+](=O)[O-])c1 ZINC000443450905 682300908 /nfs/dbraw/zinc/30/09/08/682300908.db2.gz BLMMBECWKCTIDK-UHFFFAOYSA-N 0 2 353.360 1.260 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1C(N)=O ZINC000463472964 684694618 /nfs/dbraw/zinc/69/46/18/684694618.db2.gz UMFMJLUMGNBTOR-UHFFFAOYSA-N 0 2 366.355 1.207 20 5 FDBDLN O=C(c1ccsc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000507169532 688617799 /nfs/dbraw/zinc/61/77/99/688617799.db2.gz WGFDNQNWKVEAEJ-UHFFFAOYSA-N 0 2 361.379 1.960 20 5 FDBDLN NS(=O)(=O)c1ccc2c(c1)/C(=C\c1ccc([N+](=O)[O-])c(O)c1)C(=O)N2 ZINC000748146260 773737420 /nfs/dbraw/zinc/73/74/20/773737420.db2.gz GXPPYXVMQCNREQ-VZUCSPMQSA-N 0 2 361.335 1.441 20 5 FDBDLN CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2C1 ZINC000277147783 780859965 /nfs/dbraw/zinc/85/99/65/780859965.db2.gz HIMLKEUHKOFJAW-LLVKDONJSA-N 0 2 373.369 1.448 20 5 FDBDLN NC(=O)C1(NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC3CC(C2)CC1C3 ZINC000458302101 780887098 /nfs/dbraw/zinc/88/70/98/780887098.db2.gz KNXCFCVQVOZVRT-UHFFFAOYSA-N 0 2 359.382 1.710 20 5 FDBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1-n1ccnn1 ZINC000377545760 792183904 /nfs/dbraw/zinc/18/39/04/792183904.db2.gz YKKYNRGEWLLJHF-UHFFFAOYSA-N 0 2 374.382 1.934 20 5 FDBDLN O=C(NCCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000511937022 805558163 /nfs/dbraw/zinc/55/81/63/805558163.db2.gz CTODBZQQVYPNJD-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1N1C(=O)CNC1=O ZINC000436922951 816795792 /nfs/dbraw/zinc/79/57/92/816795792.db2.gz RTTPNSKRCBCVRG-UHFFFAOYSA-N 0 2 370.321 1.917 20 5 FDBDLN CNC(=O)COc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000507200344 818671150 /nfs/dbraw/zinc/67/11/50/818671150.db2.gz CJKUCCINNRUNEO-UHFFFAOYSA-N 0 2 359.338 1.355 20 5 FDBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000760074742 823720657 /nfs/dbraw/zinc/72/06/57/823720657.db2.gz ZMOUNKZOJVWBBI-UHFFFAOYSA-N 0 2 362.308 1.580 20 5 FDBDLN CC(C)(C)n1cnc(=NC(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)[nH]1 ZINC000459503489 838760670 /nfs/dbraw/zinc/76/06/70/838760670.db2.gz QHVKBLPZHZFNAY-UHFFFAOYSA-N 0 2 370.373 1.819 20 5 FDBDLN Cc1cc(C(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1[N+](=O)[O-] ZINC000917362638 883365753 /nfs/dbraw/zinc/36/57/53/883365753.db2.gz KCXDQAVFWWUGFA-UHFFFAOYSA-N 0 2 374.309 1.886 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)nc2)c([N+](=O)[O-])c1 ZINC000764542348 904967234 /nfs/dbraw/zinc/96/72/34/904967234.db2.gz UTUJJXSSABSCHM-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000812318101 941192789 /nfs/dbraw/zinc/19/27/89/941192789.db2.gz SZWCFVWJLCIKQL-UHFFFAOYSA-N 0 2 354.300 1.129 20 5 FDBDLN CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC001596880219 985750673 /nfs/dbraw/zinc/75/06/73/985750673.db2.gz XOFOGQXJUASADT-CQSZACIVSA-N 0 2 362.342 1.342 20 5 FDBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1[N+](=O)[O-] ZINC000777679472 1001441720 /nfs/dbraw/zinc/44/17/20/1001441720.db2.gz BXGVWJCXJYWUHL-UHFFFAOYSA-N 0 2 353.316 1.364 20 5 FDBDLN Cc1nc2c(cccc2C(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC000948363119 1002267074 /nfs/dbraw/zinc/26/70/74/1002267074.db2.gz LJWGRLPFYAFGCA-UKRRQHHQSA-N 0 2 371.397 1.257 20 5 FDBDLN O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000192212365 178102502 /nfs/dbraw/zinc/10/25/02/178102502.db2.gz QEXRSQUOPCAYFH-AWEZNQCLSA-N 0 2 373.340 1.970 20 5 FDBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nnc2n1CCC2 ZINC000264516637 179126247 /nfs/dbraw/zinc/12/62/47/179126247.db2.gz IPQFATJXFWDIQB-QMMMGPOBSA-N 0 2 355.351 1.311 20 5 FDBDLN C[C@@H]1CN=C(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)S1 ZINC000273300223 180901129 /nfs/dbraw/zinc/90/11/29/180901129.db2.gz ZRDROTHUNGXLPO-SNVBAGLBSA-N 0 2 350.400 1.550 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(C(C)C)o2)c([N+](=O)[O-])c1 ZINC000275393781 181307952 /nfs/dbraw/zinc/30/79/52/181307952.db2.gz AYCWKQMQOXRQHS-UHFFFAOYSA-N 0 2 370.343 1.689 20 5 FDBDLN NS(=O)(=O)Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000538870920 540902827 /nfs/dbraw/zinc/90/28/27/540902827.db2.gz FOEHILHQEIWOSG-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN COCCn1ccc(NC(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000276924723 181684972 /nfs/dbraw/zinc/68/49/72/181684972.db2.gz UCPIFKMBPFQZAX-UHFFFAOYSA-N 0 2 361.358 1.632 20 5 FDBDLN O=C(NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])cc1O ZINC000283698787 182253300 /nfs/dbraw/zinc/25/33/00/182253300.db2.gz RYMRAMVBGZQGPU-IAQYHMDHSA-N 0 2 350.371 1.598 20 5 FDBDLN CC[C@@H]1CN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H](C)[S@]1=O ZINC000287364874 183273521 /nfs/dbraw/zinc/27/35/21/183273521.db2.gz NWBXKTYUSLBGDJ-GTJSXPSMSA-N 0 2 356.448 1.556 20 5 FDBDLN C[C@H](Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000295025223 184028256 /nfs/dbraw/zinc/02/82/56/184028256.db2.gz VIQZBGXFQPMIAM-LBPRGKRZSA-N 0 2 356.386 1.836 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C2)[nH]1 ZINC000549450187 542886665 /nfs/dbraw/zinc/88/66/65/542886665.db2.gz YQAXQMGDJLPBAS-QMMMGPOBSA-N 0 2 371.350 1.126 20 5 FDBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1Cc2ccccc2C1 ZINC000552544902 543483455 /nfs/dbraw/zinc/48/34/55/543483455.db2.gz GJQDRZFXRMOYHG-NSHDSACASA-N 0 2 355.350 1.961 20 5 FDBDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000127498174 173079021 /nfs/dbraw/zinc/07/90/21/173079021.db2.gz DHCCXOBAWBJQTP-SECBINFHSA-N 0 2 361.276 1.584 20 5 FDBDLN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000134319654 173322401 /nfs/dbraw/zinc/32/24/01/173322401.db2.gz FVHSOYOBWHMWAE-IUODEOHRSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000179537730 258353093 /nfs/dbraw/zinc/35/30/93/258353093.db2.gz KSRWMCGQOQHKBC-UHFFFAOYSA-N 0 2 357.366 1.964 20 5 FDBDLN O=C1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CN1CC[NH+]1CCOCC1 ZINC000178903808 258339308 /nfs/dbraw/zinc/33/93/08/258339308.db2.gz PDNUCXWYYSJZPF-RCFWFJCLSA-N 0 2 374.441 1.131 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnc2c1cnn2C ZINC000556177343 544113349 /nfs/dbraw/zinc/11/33/49/544113349.db2.gz SBDYGXKCWMHTEZ-UHFFFAOYSA-N 0 2 363.355 1.059 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000293846821 258900425 /nfs/dbraw/zinc/90/04/25/258900425.db2.gz CPNGBRPRGJQNOX-OAHLLOKOSA-N 0 2 369.377 1.874 20 5 FDBDLN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000368457976 260186566 /nfs/dbraw/zinc/18/65/66/260186566.db2.gz LVZWRAPFYRNLGZ-GFCCVEGCSA-N 0 2 358.354 1.912 20 5 FDBDLN O=c1[nH]nc(C2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)[nH]1 ZINC000374004177 261064189 /nfs/dbraw/zinc/06/41/89/261064189.db2.gz WENBYQPYMQYJQL-UHFFFAOYSA-N 0 2 369.179 1.960 20 5 FDBDLN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)c1ccc([N+](=O)[O-])cc1O ZINC000375681320 261397064 /nfs/dbraw/zinc/39/70/64/261397064.db2.gz YRNJJGUOIZCLEL-JQWIXIFHSA-N 0 2 361.333 1.437 20 5 FDBDLN CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000022416237 518899917 /nfs/dbraw/zinc/89/99/17/518899917.db2.gz XFFJVKCPHMLFCQ-UHFFFAOYSA-N 0 2 351.359 1.993 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000023317198 518944793 /nfs/dbraw/zinc/94/47/93/518944793.db2.gz LORMYLQWWDNDSU-CYBMUJFWSA-N 0 2 363.370 1.011 20 5 FDBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000055630806 523838546 /nfs/dbraw/zinc/83/85/46/523838546.db2.gz TZMSPUVVLFVARU-GFCCVEGCSA-N 0 2 352.372 1.771 20 5 FDBDLN O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166196107 525574168 /nfs/dbraw/zinc/57/41/68/525574168.db2.gz NHZXSJQVKBGOGW-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN Cc1ccc(-n2nccc2NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nn1 ZINC000129705598 525682823 /nfs/dbraw/zinc/68/28/23/525682823.db2.gz BETKZKVZNRXYPE-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ccc(-n2cnnn2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000181096390 525806168 /nfs/dbraw/zinc/80/61/68/525806168.db2.gz ZOKCCOOXQYXZFT-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000171156427 525875283 /nfs/dbraw/zinc/87/52/83/525875283.db2.gz KQXXQKJBOQSNHJ-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1nc(=O)c2sccc2[nH]1 ZINC000131689380 525890261 /nfs/dbraw/zinc/89/02/61/525890261.db2.gz AZTJIFBAPDBGSA-UHFFFAOYSA-N 0 2 373.394 1.963 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(CC(F)(F)C(F)F)CC1 ZINC000182017359 526021762 /nfs/dbraw/zinc/02/17/62/526021762.db2.gz OBXDLRQZWCEGMX-UHFFFAOYSA-N 0 2 365.283 1.959 20 5 FDBDLN NC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1ccc(F)cc1 ZINC000133166560 526028500 /nfs/dbraw/zinc/02/85/00/526028500.db2.gz QAYUDEXQSLJPFT-NSHDSACASA-N 0 2 361.329 1.514 20 5 FDBDLN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182089076 526050068 /nfs/dbraw/zinc/05/00/68/526050068.db2.gz VYIMCTFYGJJAOD-UHFFFAOYSA-N 0 2 371.353 1.673 20 5 FDBDLN NC(=O)c1coc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000188245998 536287150 /nfs/dbraw/zinc/28/71/50/536287150.db2.gz LLLZSXQCVADLRO-UHFFFAOYSA-N 0 2 359.747 1.419 20 5 FDBDLN CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280855471 537476388 /nfs/dbraw/zinc/47/63/88/537476388.db2.gz CXGQKIYPHGSDTN-MWLCHTKSSA-N 0 2 353.400 1.730 20 5 FDBDLN Cn1cc(-c2ccnc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cn1 ZINC000365959246 537605308 /nfs/dbraw/zinc/60/53/08/537605308.db2.gz AMVAOAOHMXICDD-UHFFFAOYSA-N 0 2 360.355 1.586 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424267907 538267612 /nfs/dbraw/zinc/26/76/12/538267612.db2.gz MZBHRDQZEPOSFN-BMIGLBTASA-N 0 2 351.359 1.727 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424267907 538267619 /nfs/dbraw/zinc/26/76/19/538267619.db2.gz MZBHRDQZEPOSFN-BMIGLBTASA-N 0 2 351.359 1.727 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424267914 538267705 /nfs/dbraw/zinc/26/77/05/538267705.db2.gz MZBHRDQZEPOSFN-MEBBXXQBSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000424267914 538267708 /nfs/dbraw/zinc/26/77/08/538267708.db2.gz MZBHRDQZEPOSFN-MEBBXXQBSA-N 0 2 351.359 1.727 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000446957977 538333706 /nfs/dbraw/zinc/33/37/06/538333706.db2.gz PBTXKPAXEFNRDM-JTQLQIEISA-N 0 2 354.344 1.939 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000446965988 538335617 /nfs/dbraw/zinc/33/56/17/538335617.db2.gz LOTKOTPDBIZFHK-UHFFFAOYSA-N 0 2 358.332 1.324 20 5 FDBDLN CN(C)C(=O)Cn1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000504062241 538831413 /nfs/dbraw/zinc/83/14/13/538831413.db2.gz SRKBGBQHLMTKAP-UHFFFAOYSA-N 0 2 369.179 1.781 20 5 FDBDLN COC(=O)c1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])oc1C ZINC000561862964 545971055 /nfs/dbraw/zinc/97/10/55/545971055.db2.gz ZDRAQBRXQMBIOW-UHFFFAOYSA-N 0 2 372.330 1.900 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[nH]n1 ZINC000562295953 546081868 /nfs/dbraw/zinc/08/18/68/546081868.db2.gz QETUNVFANMVMQX-UHFFFAOYSA-N 0 2 360.373 1.665 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517815 548570590 /nfs/dbraw/zinc/57/05/90/548570590.db2.gz CAJZEGBSKVITPL-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568517815 548570594 /nfs/dbraw/zinc/57/05/94/548570594.db2.gz CAJZEGBSKVITPL-NXEZZACHSA-N 0 2 357.388 1.006 20 5 FDBDLN COc1ccc(OCCn2cn[n-]c2=[NH+]c2cccnc2)c([N+](=O)[O-])c1 ZINC000569645523 548992722 /nfs/dbraw/zinc/99/27/22/548992722.db2.gz BVGOYVQVQYOHHZ-UHFFFAOYSA-N 0 2 356.342 2.413 20 5 FDBDLN CCOC(=O)[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000570034685 549135221 /nfs/dbraw/zinc/13/52/21/549135221.db2.gz IDWDTFCNRSKPOU-CYBMUJFWSA-N 0 2 365.367 1.573 20 5 FDBDLN O=C(Nc1cccc(N2C(=O)COCC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000572186121 549861188 /nfs/dbraw/zinc/86/11/88/549861188.db2.gz NMVLFMJBFMWBJM-UHFFFAOYSA-N 0 2 371.305 1.443 20 5 FDBDLN COC(=O)Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000574684453 550354034 /nfs/dbraw/zinc/35/40/34/550354034.db2.gz GCFDMPUEQYXXGP-UHFFFAOYSA-N 0 2 365.367 1.815 20 5 FDBDLN CCOC(=O)Cc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000577062332 550616314 /nfs/dbraw/zinc/61/63/14/550616314.db2.gz GEBHRZPAWZSKST-UHFFFAOYSA-N 0 2 372.384 1.353 20 5 FDBDLN O=C([O-])c1cnc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000578774578 550800923 /nfs/dbraw/zinc/80/09/23/550800923.db2.gz GFKASEUEQNDBSA-UHFFFAOYSA-N 0 2 359.342 1.532 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(F)c1 ZINC000581165181 551058978 /nfs/dbraw/zinc/05/89/78/551058978.db2.gz JAFGNODAIMDQEB-UHFFFAOYSA-N 0 2 355.303 1.138 20 5 FDBDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000589657490 551740910 /nfs/dbraw/zinc/74/09/10/551740910.db2.gz ZARUBJKDEPKLOP-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN O=C(NC[C@H]1CCCN(Cc2ncon2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590362370 551775808 /nfs/dbraw/zinc/77/58/08/551775808.db2.gz BBBOLKLWLYJOSV-LLVKDONJSA-N 0 2 361.358 1.325 20 5 FDBDLN O=C(NC[C@@H]1CCCN(Cc2ncon2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590362371 551775848 /nfs/dbraw/zinc/77/58/48/551775848.db2.gz BBBOLKLWLYJOSV-NSHDSACASA-N 0 2 361.358 1.325 20 5 FDBDLN CCOC(=O)Cn1nc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000593281636 552082273 /nfs/dbraw/zinc/08/22/73/552082273.db2.gz NQIIHXDMXVEFGN-UHFFFAOYSA-N 0 2 368.371 1.464 20 5 FDBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C(=O)NC)n[nH]1 ZINC000593334529 552091383 /nfs/dbraw/zinc/09/13/83/552091383.db2.gz DANDBXBTIOGJKI-LBPRGKRZSA-N 0 2 357.370 1.952 20 5 FDBDLN Cc1ccc([C@@H](C)NC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000593566661 552136499 /nfs/dbraw/zinc/13/64/99/552136499.db2.gz MVZVBMMCGGFGCP-LLVKDONJSA-N 0 2 360.374 1.892 20 5 FDBDLN O=C([O-])CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593750888 552190391 /nfs/dbraw/zinc/19/03/91/552190391.db2.gz BLRNMFUZJLHOEZ-ZDUSSCGKSA-N 0 2 370.427 1.945 20 5 FDBDLN O=C([O-])CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000593750888 552190394 /nfs/dbraw/zinc/19/03/94/552190394.db2.gz BLRNMFUZJLHOEZ-ZDUSSCGKSA-N 0 2 370.427 1.945 20 5 FDBDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000594381606 552299688 /nfs/dbraw/zinc/29/96/88/552299688.db2.gz MZZWQCQOGHNDHP-SNVBAGLBSA-N 0 2 352.265 1.312 20 5 FDBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000594775703 552380096 /nfs/dbraw/zinc/38/00/96/552380096.db2.gz GQINOAYAMYMUKC-XVKPBYJWSA-N 0 2 355.294 1.114 20 5 FDBDLN O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000595977277 552640842 /nfs/dbraw/zinc/64/08/42/552640842.db2.gz FUCVYGUIVVKQLT-JGGQBBKZSA-N 0 2 365.386 1.063 20 5 FDBDLN O=C(NC[C@H]1CN(Cc2ccncc2)CCO1)c1cccc(O)c1[N+](=O)[O-] ZINC000600682034 553299592 /nfs/dbraw/zinc/29/95/92/553299592.db2.gz IXMUSNAJRFLQTK-AWEZNQCLSA-N 0 2 372.381 1.326 20 5 FDBDLN CO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@](C)(C(=O)[O-])C1 ZINC000600871982 553323091 /nfs/dbraw/zinc/32/30/91/553323091.db2.gz GQCMTSGWXYLJJA-SJCJKPOMSA-N 0 2 374.353 1.485 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000603491452 553795162 /nfs/dbraw/zinc/79/51/62/553795162.db2.gz PVSJKNCBMNRQNR-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN CN(C)c1ccc(CNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c[nH+]1 ZINC000603584229 553803065 /nfs/dbraw/zinc/80/30/65/553803065.db2.gz LSCWHVYYQIEXLC-UHFFFAOYSA-N 0 2 352.372 1.240 20 5 FDBDLN Cn1cccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000603911959 553829316 /nfs/dbraw/zinc/82/93/16/553829316.db2.gz BNJSAKKBFQECDF-UHFFFAOYSA-N 0 2 358.354 1.237 20 5 FDBDLN NS(=O)(=O)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000608915544 554328940 /nfs/dbraw/zinc/32/89/40/554328940.db2.gz JDQTWAKFFSTRAS-UHFFFAOYSA-N 0 2 365.367 1.019 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCS(=O)(=O)c2ccccc2C1 ZINC000436567423 567883734 /nfs/dbraw/zinc/88/37/34/567883734.db2.gz SQSQQJKGKRJDAF-UHFFFAOYSA-N 0 2 362.363 1.730 20 5 FDBDLN Cn1c2cc(O)c(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2n(C)c1=O ZINC000436619862 568061214 /nfs/dbraw/zinc/06/12/14/568061214.db2.gz QUWCPISJUYGWHQ-UHFFFAOYSA-N 0 2 358.310 1.449 20 5 FDBDLN Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832954662 601258423 /nfs/dbraw/zinc/25/84/23/601258423.db2.gz NADGFIOPANLQJU-LBPRGKRZSA-N 0 2 371.415 1.073 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918214 602761476 /nfs/dbraw/zinc/76/14/76/602761476.db2.gz CVURCARBHQIIOT-ZYHUDNBSSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918214 602761478 /nfs/dbraw/zinc/76/14/78/602761478.db2.gz CVURCARBHQIIOT-ZYHUDNBSSA-N 0 2 366.374 1.520 20 5 FDBDLN CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000273264859 674522331 /nfs/dbraw/zinc/52/23/31/674522331.db2.gz UIBMQJYEFHSMPX-LSDHHAIUSA-N 0 2 350.371 1.693 20 5 FDBDLN C[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](CNC(=O)[O-])C1 ZINC000828499979 603518479 /nfs/dbraw/zinc/51/84/79/603518479.db2.gz CTNIHDKNJKDNOB-GFCCVEGCSA-N 0 2 368.415 1.097 20 5 FDBDLN C[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](CNC(=O)[O-])C1 ZINC000828499979 603518482 /nfs/dbraw/zinc/51/84/82/603518482.db2.gz CTNIHDKNJKDNOB-GFCCVEGCSA-N 0 2 368.415 1.097 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832573243 603572388 /nfs/dbraw/zinc/57/23/88/603572388.db2.gz LKXPXFLPKQZTNG-JTQLQIEISA-N 0 2 356.766 1.919 20 5 FDBDLN O=C([O-])NC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000832573243 603572389 /nfs/dbraw/zinc/57/23/89/603572389.db2.gz LKXPXFLPKQZTNG-JTQLQIEISA-N 0 2 356.766 1.919 20 5 FDBDLN C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828508010 603597018 /nfs/dbraw/zinc/59/70/18/603597018.db2.gz VXJXJFNDVRNNIE-JTQLQIEISA-N 0 2 371.781 1.664 20 5 FDBDLN C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828508010 603597021 /nfs/dbraw/zinc/59/70/21/603597021.db2.gz VXJXJFNDVRNNIE-JTQLQIEISA-N 0 2 371.781 1.664 20 5 FDBDLN Cc1cc(C)nc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000273504449 674543580 /nfs/dbraw/zinc/54/35/80/674543580.db2.gz VWUZJGZHRRZYLM-UHFFFAOYSA-N 0 2 366.355 1.574 20 5 FDBDLN O=C(C=c1[nH]c(=O)c(=Cc2ccc(O)c([N+](=O)[O-])c2)s1)c1ccco1 ZINC000255565426 672621841 /nfs/dbraw/zinc/62/18/41/672621841.db2.gz NXZXMHGQUYOSLH-UHFFFAOYSA-N 0 2 358.331 1.135 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000288705424 676042774 /nfs/dbraw/zinc/04/27/74/676042774.db2.gz XBYSLFGQJUDMJQ-ZCFIWIBFSA-N 0 2 356.278 1.611 20 5 FDBDLN CC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000414337845 679340170 /nfs/dbraw/zinc/34/01/70/679340170.db2.gz LDETXYJKOHVPPW-NSHDSACASA-N 0 2 371.415 1.398 20 5 FDBDLN COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436900800 681742257 /nfs/dbraw/zinc/74/22/57/681742257.db2.gz OUEMKBDZHUOCRW-ZDUSSCGKSA-N 0 2 353.375 1.208 20 5 FDBDLN CCOC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436898515 681742464 /nfs/dbraw/zinc/74/24/64/681742464.db2.gz GYAOPYHZSPMELL-UHFFFAOYSA-N 0 2 352.328 1.510 20 5 FDBDLN CC(C)C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000469447081 684969842 /nfs/dbraw/zinc/96/98/42/684969842.db2.gz XOTNUAIDGTVOOB-CYBMUJFWSA-N 0 2 351.403 1.777 20 5 FDBDLN CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000476221388 685694125 /nfs/dbraw/zinc/69/41/25/685694125.db2.gz OSWRLDONMUXRML-UHFFFAOYSA-N 0 2 354.344 1.306 20 5 FDBDLN COCCOc1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000508081502 688704786 /nfs/dbraw/zinc/70/47/86/688704786.db2.gz CUOCXLPQXCLNLZ-UHFFFAOYSA-N 0 2 368.371 1.519 20 5 FDBDLN Cn1ccnc1[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000511240300 689493778 /nfs/dbraw/zinc/49/37/78/689493778.db2.gz KGKGCWPERRJXKD-LBPRGKRZSA-N 0 2 354.363 1.897 20 5 FDBDLN Cn1cc[nH+]c1[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000511240300 689493780 /nfs/dbraw/zinc/49/37/80/689493780.db2.gz KGKGCWPERRJXKD-LBPRGKRZSA-N 0 2 354.363 1.897 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C2)[nH]1 ZINC000520889013 690365069 /nfs/dbraw/zinc/36/50/69/690365069.db2.gz UCCXCTUSEZRWHO-NSHDSACASA-N 0 2 367.387 1.128 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000450895928 830170786 /nfs/dbraw/zinc/17/07/86/830170786.db2.gz LIILPZSFCQZRJD-NSHDSACASA-N 0 2 361.358 1.810 20 5 FDBDLN C[C@@H](CC(=O)[N-]S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)n1cc[nH+]c1 ZINC000845491725 949377765 /nfs/dbraw/zinc/37/77/65/949377765.db2.gz BCZYXZRBMOXJHS-LBPRGKRZSA-N 0 2 366.399 1.431 20 5 FDBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@@H]1C(=O)[O-] ZINC001589347874 954062514 /nfs/dbraw/zinc/06/25/14/954062514.db2.gz IWDMPAFDMMMLFP-YPMHNXCESA-N 0 2 358.354 1.963 20 5 FDBDLN O=C([O-])c1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc([N+](=O)[O-])c1 ZINC001176673361 963509175 /nfs/dbraw/zinc/50/91/75/963509175.db2.gz XLEOOMSGHPTWQO-UHFFFAOYSA-N 0 2 361.358 1.565 20 5 FDBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)c1nn(C)cc1O ZINC001179921649 965049967 /nfs/dbraw/zinc/04/99/67/965049967.db2.gz WACKLWMNGYNDNK-VIFPVBQESA-N 0 2 366.399 1.609 20 5 FDBDLN CCOc1cc([N+](=O)[O-])c(C(=O)NCCc2n[nH]c(=S)o2)cc1OC ZINC000776538811 979004684 /nfs/dbraw/zinc/00/46/84/979004684.db2.gz UZATWQOJGBJKLE-UHFFFAOYSA-N 0 2 368.371 1.646 20 5 FDBDLN CC[N@@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@H]1C ZINC001596436634 984123279 /nfs/dbraw/zinc/12/32/79/984123279.db2.gz XHADMWLGVKHFLV-SNVBAGLBSA-N 0 2 357.388 1.008 20 5 FDBDLN CC[N@H+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])C[C@H]1C ZINC001596436634 984123280 /nfs/dbraw/zinc/12/32/80/984123280.db2.gz XHADMWLGVKHFLV-SNVBAGLBSA-N 0 2 357.388 1.008 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438955 986769434 /nfs/dbraw/zinc/76/94/34/986769434.db2.gz QVOGHDZEKCNIGQ-RTHLEPHNSA-N 0 2 357.750 1.097 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@](O)(C(=O)[O-])C1 ZINC001589438955 986769445 /nfs/dbraw/zinc/76/94/45/986769445.db2.gz QVOGHDZEKCNIGQ-RTHLEPHNSA-N 0 2 357.750 1.097 20 5 FDBDLN O=C(c1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@H]1[N+](=O)[O-])N1CCOCC1 ZINC000369958853 989341608 /nfs/dbraw/zinc/34/16/08/989341608.db2.gz HXJKHSFVMZVZDC-GOEBONIOSA-N 0 2 359.382 1.103 20 5 FDBDLN O=C(CCc1nc(-c2ncccn2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000371816851 990742042 /nfs/dbraw/zinc/74/20/42/990742042.db2.gz RGDRZBUTWCRHKT-UHFFFAOYSA-N 0 2 356.298 1.712 20 5 FDBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001593666882 996053900 /nfs/dbraw/zinc/05/39/00/996053900.db2.gz CSCJCUYCSUVHRV-TVQRCGJNSA-N 0 2 364.383 1.611 20 5 FDBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001593666882 996053905 /nfs/dbraw/zinc/05/39/05/996053905.db2.gz CSCJCUYCSUVHRV-TVQRCGJNSA-N 0 2 364.383 1.611 20 5 FDBDLN COC(=O)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000510195715 538953565 /nfs/dbraw/zinc/95/35/65/538953565.db2.gz YAPTUHMCFQCILP-ZDUSSCGKSA-N 0 2 352.343 1.246 20 5 FDBDLN CC(C)[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272473569 180744955 /nfs/dbraw/zinc/74/49/55/180744955.db2.gz ZNMBFNVJSMZVRL-GWCFXTLKSA-N 0 2 367.427 1.976 20 5 FDBDLN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272625887 180770943 /nfs/dbraw/zinc/77/09/43/180770943.db2.gz SNUPDZORDLOOOR-LBPRGKRZSA-N 0 2 353.400 1.588 20 5 FDBDLN COc1ccc(C(=O)NCC(=O)Nc2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] ZINC000531618140 540106663 /nfs/dbraw/zinc/10/66/63/540106663.db2.gz OJOZRZYKMCNQJQ-UHFFFAOYSA-N 0 2 370.325 1.243 20 5 FDBDLN COC(=O)c1nscc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000536700984 540641604 /nfs/dbraw/zinc/64/16/04/540641604.db2.gz ZHNCALIMVCYNFG-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1O)C2=O ZINC000537768691 540772344 /nfs/dbraw/zinc/77/23/44/540772344.db2.gz PXPDGQCLCNTWSD-UHFFFAOYSA-N 0 2 355.306 1.844 20 5 FDBDLN O=C(c1cccnc1)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000538388891 540852100 /nfs/dbraw/zinc/85/21/00/540852100.db2.gz JEWHECXGBHOVJK-UHFFFAOYSA-N 0 2 356.338 1.294 20 5 FDBDLN CS(=O)(=O)Nc1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000539103781 540922299 /nfs/dbraw/zinc/92/22/99/540922299.db2.gz LRAMSIZPUSIOTI-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN CCCS(=O)(=O)NC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000539382135 540953530 /nfs/dbraw/zinc/95/35/30/540953530.db2.gz FPIKXEVZKCCWJW-UHFFFAOYSA-N 0 2 371.415 1.234 20 5 FDBDLN CN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1cccnc1 ZINC000539973488 541014984 /nfs/dbraw/zinc/01/49/84/541014984.db2.gz DGLFDSSRNXSAKI-BLLLJJGKSA-N 0 2 356.338 1.854 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000541082762 541147735 /nfs/dbraw/zinc/14/77/35/541147735.db2.gz HWKUZHVOFBCJML-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000541533297 541225010 /nfs/dbraw/zinc/22/50/10/541225010.db2.gz RIVRSOAMSZBCSO-UHFFFAOYSA-N 0 2 370.321 1.877 20 5 FDBDLN CCO[C@H]1C[C@](NC(=O)c2cc([N+](=O)[O-])ccc2O)(C(=O)OC)C1(C)C ZINC000275606462 181366160 /nfs/dbraw/zinc/36/61/60/181366160.db2.gz MLWXRIKQLXTRRL-GUYCJALGSA-N 0 2 366.370 1.777 20 5 FDBDLN CCO[C@@H]1C[C@](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)(C(=O)OC)C1(C)C ZINC000275695711 181390544 /nfs/dbraw/zinc/39/05/44/181390544.db2.gz UOXCQQNBWYRIJT-DYVFJYSZSA-N 0 2 366.370 1.777 20 5 FDBDLN COC(=O)[C@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000543496695 541599553 /nfs/dbraw/zinc/59/95/53/541599553.db2.gz IGBJGRMUBOAOMM-OAHLLOKOSA-N 0 2 358.306 1.881 20 5 FDBDLN CC(C)(C(=O)NCCCc1n[nH]c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000547275490 542296565 /nfs/dbraw/zinc/29/65/65/542296565.db2.gz AGTZQGWXMAUFQW-UHFFFAOYSA-N 0 2 351.338 1.584 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC000549657733 542913575 /nfs/dbraw/zinc/91/35/75/542913575.db2.gz WKWDFPIDKJWUPF-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000552075355 543414278 /nfs/dbraw/zinc/41/42/78/543414278.db2.gz UWSDKUWXZCEHPL-LLVKDONJSA-N 0 2 351.359 1.010 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cncnc1-n1cccn1 ZINC000127217199 173068506 /nfs/dbraw/zinc/06/85/06/173068506.db2.gz YQMBWOVLSLLIFL-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000180181042 258363304 /nfs/dbraw/zinc/36/33/04/258363304.db2.gz MPJJQYCSHHPCEU-CYBMUJFWSA-N 0 2 358.354 1.912 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCOCC(F)(F)F ZINC000555120356 543915533 /nfs/dbraw/zinc/91/55/33/543915533.db2.gz SIYGYFPJFPDLAC-UHFFFAOYSA-N 0 2 358.294 1.924 20 5 FDBDLN Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000555368241 543948612 /nfs/dbraw/zinc/94/86/12/543948612.db2.gz TUWVAKKHFDZPRG-SNVBAGLBSA-N 0 2 367.387 1.295 20 5 FDBDLN O=C(NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])NC1CCCCC1 ZINC000556917254 544220523 /nfs/dbraw/zinc/22/05/23/544220523.db2.gz KQIBNEWSNBYWLU-UHFFFAOYSA-N 0 2 350.375 1.662 20 5 FDBDLN CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000365006664 259804282 /nfs/dbraw/zinc/80/42/82/259804282.db2.gz GPVMKNQLBGCSCO-HNNXBMFYSA-N 0 2 355.350 1.614 20 5 FDBDLN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367716501 260080844 /nfs/dbraw/zinc/08/08/44/260080844.db2.gz PICKNFMDYUTHQF-LBPRGKRZSA-N 0 2 362.386 1.710 20 5 FDBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000020629546 518855820 /nfs/dbraw/zinc/85/58/20/518855820.db2.gz HMXGPOZXPIJXGP-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(N)=O)ccc1C ZINC000063878163 522667587 /nfs/dbraw/zinc/66/75/87/522667587.db2.gz SKSNGXXZMORITO-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000055569183 523826677 /nfs/dbraw/zinc/82/66/77/523826677.db2.gz CGVYERMRZUAOTG-UHFFFAOYSA-N 0 2 365.367 1.764 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000093928897 525008560 /nfs/dbraw/zinc/00/85/60/525008560.db2.gz LBIYFDLCQPUJPV-GFCCVEGCSA-N 0 2 352.372 1.862 20 5 FDBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000131843071 525910277 /nfs/dbraw/zinc/91/02/77/525910277.db2.gz KBEVBAHFNTTWED-UHFFFAOYSA-N 0 2 373.394 1.624 20 5 FDBDLN CN(C)c1ncc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1 ZINC000133930075 526108800 /nfs/dbraw/zinc/10/88/00/526108800.db2.gz OIAJXJXNDNPVNU-UHFFFAOYSA-N 0 2 357.779 1.905 20 5 FDBDLN Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCO2)n1 ZINC000185830900 536218862 /nfs/dbraw/zinc/21/88/62/536218862.db2.gz ILHMUVRQCVEQEY-CQSZACIVSA-N 0 2 360.370 1.655 20 5 FDBDLN O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263290434 537010134 /nfs/dbraw/zinc/01/01/34/537010134.db2.gz LHTDAFMIKFQKEA-GFCCVEGCSA-N 0 2 360.326 1.096 20 5 FDBDLN C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263348797 537020958 /nfs/dbraw/zinc/02/09/58/537020958.db2.gz PFWYNEPCBBMVKD-DGCLKSJQSA-N 0 2 358.354 1.963 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189985817 537124131 /nfs/dbraw/zinc/12/41/31/537124131.db2.gz SJZQGSMCNOCEHU-UHFFFAOYSA-N 0 2 357.370 1.863 20 5 FDBDLN O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000192215264 537222245 /nfs/dbraw/zinc/22/22/45/537222245.db2.gz AHUGYIYLFPOIFK-OAHLLOKOSA-N 0 2 373.340 1.970 20 5 FDBDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000275201841 537542449 /nfs/dbraw/zinc/54/24/49/537542449.db2.gz DCIYYRRNINRUPA-QMMMGPOBSA-N 0 2 361.276 1.441 20 5 FDBDLN O=C(NC1CCN(C(=O)c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000372246992 537905390 /nfs/dbraw/zinc/90/53/90/537905390.db2.gz JCLMHGQSWHWNBA-UHFFFAOYSA-N 0 2 371.353 1.125 20 5 FDBDLN Cc1cc(=NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]nc1C ZINC000467459793 538643382 /nfs/dbraw/zinc/64/33/82/538643382.db2.gz UWJUJPILKCDRGG-UHFFFAOYSA-N 0 2 356.386 2.356 20 5 FDBDLN Cc1cc(C[NH+]2CCN(c3nc(C)cc(C(=O)[O-])c3[N+](=O)[O-])CC2)on1 ZINC000563207388 546446071 /nfs/dbraw/zinc/44/60/71/546446071.db2.gz QTSKQQQJHLXGKX-UHFFFAOYSA-N 0 2 361.358 1.615 20 5 FDBDLN C[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C)[NH+]1CCOCC1 ZINC000565013023 547157300 /nfs/dbraw/zinc/15/73/00/547157300.db2.gz FZPZOSRJVZWBGA-ZJUUUORDSA-N 0 2 357.794 1.793 20 5 FDBDLN O=C([O-])c1cc(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000579959619 550928639 /nfs/dbraw/zinc/92/86/39/550928639.db2.gz YQQOHCDGTUKGPA-UHFFFAOYSA-N 0 2 369.399 1.152 20 5 FDBDLN COC(=O)C(C)(C)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000581564226 551105320 /nfs/dbraw/zinc/10/53/20/551105320.db2.gz DGGMESNJQWRKAN-UHFFFAOYSA-N 0 2 351.359 1.010 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000585817986 551611220 /nfs/dbraw/zinc/61/12/20/551611220.db2.gz YQVVDMRUXVMLAG-MRVWCRGKSA-N 0 2 350.371 1.693 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC000590598202 551796729 /nfs/dbraw/zinc/79/67/29/551796729.db2.gz NATKWMSBXXEDTK-UHFFFAOYSA-N 0 2 372.334 1.213 20 5 FDBDLN Cc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592972487 552050792 /nfs/dbraw/zinc/05/07/92/552050792.db2.gz KVBLIHZHCZGLKL-UHFFFAOYSA-N 0 2 369.443 1.856 20 5 FDBDLN COC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000594731433 552366304 /nfs/dbraw/zinc/36/63/04/552366304.db2.gz UAOLKORFVJJIJF-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN C[C@@H]1C[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)CO1 ZINC000597992152 552853641 /nfs/dbraw/zinc/85/36/41/552853641.db2.gz BIWJXKVUVHQGSB-NXEZZACHSA-N 0 2 357.794 1.793 20 5 FDBDLN C[C@@H]1C[N@@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)CO1 ZINC000597992152 552853642 /nfs/dbraw/zinc/85/36/42/552853642.db2.gz BIWJXKVUVHQGSB-NXEZZACHSA-N 0 2 357.794 1.793 20 5 FDBDLN CCOC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(F)(F)F ZINC000598045295 552860173 /nfs/dbraw/zinc/86/01/73/552860173.db2.gz ANPLQLPUWNPSNI-JTQLQIEISA-N 0 2 350.249 1.914 20 5 FDBDLN COCc1nccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598736537 552929487 /nfs/dbraw/zinc/92/94/87/552929487.db2.gz XSWSESQAWBBOPY-UHFFFAOYSA-N 0 2 352.372 1.949 20 5 FDBDLN CC1(c2nc(=NC(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)s[nH]2)CC1 ZINC000600227022 553232485 /nfs/dbraw/zinc/23/24/85/553232485.db2.gz HYZNAFPYSMFVSM-UHFFFAOYSA-N 0 2 362.367 1.943 20 5 FDBDLN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000609147057 554343415 /nfs/dbraw/zinc/34/34/15/554343415.db2.gz YLKLLPCMGYHOMF-UHFFFAOYSA-N 0 2 356.294 1.956 20 5 FDBDLN CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH+]c(C)n3C)c([N+](=O)[O-])n1 ZINC000611028820 554597493 /nfs/dbraw/zinc/59/74/93/554597493.db2.gz KDNNHGBCNXRYOL-UHFFFAOYSA-N 0 2 364.387 1.807 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ccc(-n3cncn3)cn2)ccc1[N+](=O)[O-] ZINC000616346150 555293921 /nfs/dbraw/zinc/29/39/21/555293921.db2.gz BYRZFIVQZGWTIP-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(C(N)=O)c1 ZINC000619466541 555781806 /nfs/dbraw/zinc/78/18/06/555781806.db2.gz WPJPAUJFXLSVIF-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN C[C@H](Nc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000736672470 599778732 /nfs/dbraw/zinc/77/87/32/599778732.db2.gz PUTCVQQRQCYHIK-UWVGGRQHSA-N 0 2 368.346 1.722 20 5 FDBDLN O=C(C[NH2+][C@@H](C(=O)[O-])c1ccccc1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000739306753 599785134 /nfs/dbraw/zinc/78/51/34/599785134.db2.gz IUBNQRRFDHMXNR-MRXNPFEDSA-N 0 2 373.321 1.678 20 5 FDBDLN Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000832954661 601258348 /nfs/dbraw/zinc/25/83/48/601258348.db2.gz NADGFIOPANLQJU-GFCCVEGCSA-N 0 2 371.415 1.073 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C[C@@H](C)N1C(=O)[O-] ZINC000739172918 602753955 /nfs/dbraw/zinc/75/39/55/602753955.db2.gz WZNJXVITQBCSHL-VXGBXAGGSA-N 0 2 373.369 1.993 20 5 FDBDLN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000834095021 605945829 /nfs/dbraw/zinc/94/58/29/605945829.db2.gz JPQZYEXOQIRROH-PWSUYJOCSA-N 0 2 362.342 1.677 20 5 FDBDLN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000834095021 605945830 /nfs/dbraw/zinc/94/58/30/605945830.db2.gz JPQZYEXOQIRROH-PWSUYJOCSA-N 0 2 362.342 1.677 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1-c1nn[nH]n1 ZINC000826500365 608095350 /nfs/dbraw/zinc/09/53/50/608095350.db2.gz VUQIPUYOSYSEAT-UHFFFAOYSA-N 0 2 362.327 1.281 20 5 FDBDLN CC(C)[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000273767970 674570248 /nfs/dbraw/zinc/57/02/48/674570248.db2.gz XEMWLPJOZMTYAE-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)ccc1[N+](=O)[O-] ZINC000278126543 675096751 /nfs/dbraw/zinc/09/67/51/675096751.db2.gz BQUHFFPORBUTDU-JTQLQIEISA-N 0 2 370.343 1.639 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1S(N)(=O)=O ZINC000324399409 676569529 /nfs/dbraw/zinc/56/95/29/676569529.db2.gz APEUNKIIHMYCGP-UHFFFAOYSA-N 0 2 371.396 1.351 20 5 FDBDLN O=C(NC[C@@]1(N2CCOCC2)CCSC1)c1ccc([N+](=O)[O-])cc1O ZINC000370437420 677578194 /nfs/dbraw/zinc/57/81/94/677578194.db2.gz WHAUVCQLTJRLIN-INIZCTEOSA-N 0 2 367.427 1.238 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2cnccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000377539879 678557684 /nfs/dbraw/zinc/55/76/84/678557684.db2.gz GTKZVNFJWSKWGU-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)c([N+](=O)[O-])n1 ZINC000444059160 682376222 /nfs/dbraw/zinc/37/62/22/682376222.db2.gz SFJXYKABWHIFKO-UHFFFAOYSA-N 0 2 354.304 1.255 20 5 FDBDLN COC(=O)c1cc(NS(=O)(=O)c2ccnn2C)c(C)c([N+](=O)[O-])c1 ZINC000486010093 686819354 /nfs/dbraw/zinc/81/93/54/686819354.db2.gz YXLKAYYYDRAUIY-UHFFFAOYSA-N 0 2 354.344 1.224 20 5 FDBDLN NC(=O)c1cc([N+](=O)[O-])cnc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000472657907 791001582 /nfs/dbraw/zinc/00/15/82/791001582.db2.gz CLPGKZHUYBVZLH-UHFFFAOYSA-N 0 2 369.341 1.398 20 5 FDBDLN O=C(c1ccoc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000364381480 795854249 /nfs/dbraw/zinc/85/42/49/795854249.db2.gz GSWVZFLHSDXSIX-UHFFFAOYSA-N 0 2 359.338 1.882 20 5 FDBDLN O=C(N[C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436918869 816793565 /nfs/dbraw/zinc/79/35/65/816793565.db2.gz KVNHFOOWWLJQQA-HNNXBMFYSA-N 0 2 370.365 1.616 20 5 FDBDLN CN(C)C(=O)COc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436972230 816822130 /nfs/dbraw/zinc/82/21/30/816822130.db2.gz NTYUCIJQFKMGNZ-UHFFFAOYSA-N 0 2 373.365 1.697 20 5 FDBDLN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)nc1 ZINC000457016308 867229144 /nfs/dbraw/zinc/22/91/44/867229144.db2.gz JLAMNBIRAKOSAT-UHFFFAOYSA-N 0 2 358.354 1.666 20 5 FDBDLN Cc1ccc2nnc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])n2c1 ZINC001212223192 882987158 /nfs/dbraw/zinc/98/71/58/882987158.db2.gz OCFSDEIGLRFECV-UHFFFAOYSA-N 0 2 365.346 1.564 20 5 FDBDLN Cn1nccc1[C@H]1[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC(=O)N1C ZINC000499070909 886275379 /nfs/dbraw/zinc/27/53/79/886275379.db2.gz LKQZTTYQOHHHDF-ZUZCIYMTSA-N 0 2 359.342 1.192 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC001138012982 941869054 /nfs/dbraw/zinc/86/90/54/941869054.db2.gz AJCIPXPCVNYBSI-SFYZADRCSA-N 0 2 368.289 1.462 20 5 FDBDLN O=C([O-])Cc1ccc(N2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000844206401 947875673 /nfs/dbraw/zinc/87/56/73/947875673.db2.gz AKFPIZJNVVYSGJ-UHFFFAOYSA-N 0 2 356.382 1.939 20 5 FDBDLN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000773314269 961080969 /nfs/dbraw/zinc/08/09/69/961080969.db2.gz IYOQORZBQZWNNT-MRVPVSSYSA-N 0 2 363.286 1.611 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000775077121 964948129 /nfs/dbraw/zinc/94/81/29/964948129.db2.gz VKAAZCALITXVIF-UHFFFAOYSA-N 0 2 370.774 1.824 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(F)c1 ZINC000794576815 973342776 /nfs/dbraw/zinc/34/27/76/973342776.db2.gz NRCNZQQNDDAHGP-UHFFFAOYSA-N 0 2 369.330 1.904 20 5 FDBDLN O=C(NCCn1cc(COc2ccccc2[N+](=O)[O-])nn1)C(F)(F)F ZINC000849140706 977336390 /nfs/dbraw/zinc/33/63/90/977336390.db2.gz BJCOMKOKAMUQIF-UHFFFAOYSA-N 0 2 359.264 1.444 20 5 FDBDLN C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594554967 986279818 /nfs/dbraw/zinc/27/98/18/986279818.db2.gz RTQSGZFVJRRWCK-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC001594554967 986279828 /nfs/dbraw/zinc/27/98/28/986279828.db2.gz RTQSGZFVJRRWCK-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000778801371 1006833252 /nfs/dbraw/zinc/83/32/52/1006833252.db2.gz OYBDEUXIJBPPCO-SNVBAGLBSA-N 0 2 357.326 1.592 20 5 FDBDLN CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)c2cccc3n[nH]cc32)CC1 ZINC000956369345 1008051617 /nfs/dbraw/zinc/05/16/17/1008051617.db2.gz SDRFASYYVIAVTO-IUODEOHRSA-N 0 2 371.397 1.339 20 5 FDBDLN O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)NCC(F)(F)F)C2)cc1 ZINC000195467998 178264560 /nfs/dbraw/zinc/26/45/60/178264560.db2.gz NUNMYAJRBRYOLF-UHFFFAOYSA-N 0 2 355.294 1.055 20 5 FDBDLN COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000509827576 538951910 /nfs/dbraw/zinc/95/19/10/538951910.db2.gz VNXLBQHSTPYZTC-UHFFFAOYSA-N 0 2 373.321 1.456 20 5 FDBDLN CN1C(=S)N=NC1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274727045 181154840 /nfs/dbraw/zinc/15/48/40/181154840.db2.gz GCWHAPTZKBGLCB-UHFFFAOYSA-N 0 2 363.399 1.737 20 5 FDBDLN O=C(CNS(=O)(=O)c1cccs1)Nc1cc([N+](=O)[O-])ccc1O ZINC000535517469 540479151 /nfs/dbraw/zinc/47/91/51/540479151.db2.gz YVVLYBFQRLNCPU-UHFFFAOYSA-N 0 2 357.369 1.279 20 5 FDBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(S(N)(=O)=O)c1C ZINC000535516912 540479610 /nfs/dbraw/zinc/47/96/10/540479610.db2.gz QPQDPFILRKCTAB-UHFFFAOYSA-N 0 2 365.367 1.817 20 5 FDBDLN CCOC(=O)c1csc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000539425793 540958630 /nfs/dbraw/zinc/95/86/30/540958630.db2.gz YSGKNBRXJKDIHG-UHFFFAOYSA-N 0 2 351.340 1.864 20 5 FDBDLN CS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000539970652 541014543 /nfs/dbraw/zinc/01/45/43/541014543.db2.gz HZJDOFMQZNBADP-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN C[C@]1(c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000542610561 541433439 /nfs/dbraw/zinc/43/34/39/541433439.db2.gz FDDUONWBNYDHQM-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000543504458 541601187 /nfs/dbraw/zinc/60/11/87/541601187.db2.gz NICZTSWMFCBZHR-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN Cn1cc2c(n1)CCC[C@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000282607373 182030761 /nfs/dbraw/zinc/03/07/61/182030761.db2.gz KMRXUCLKAYLPNA-GFCCVEGCSA-N 0 2 354.363 1.823 20 5 FDBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1 ZINC000181331858 174217748 /nfs/dbraw/zinc/21/77/48/174217748.db2.gz CQBRTHGGVWVABA-UHFFFAOYSA-N 0 2 352.372 1.944 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(CN2CCOCC2)cn1 ZINC000553367791 543620649 /nfs/dbraw/zinc/62/06/49/543620649.db2.gz AIXYVFVCPKVJSL-UHFFFAOYSA-N 0 2 358.354 1.780 20 5 FDBDLN O=C(NCCc1nnnn1-c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000557067366 544240610 /nfs/dbraw/zinc/24/06/10/544240610.db2.gz JGIDRRHWVOFVBU-UHFFFAOYSA-N 0 2 354.326 1.249 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000559176362 544602084 /nfs/dbraw/zinc/60/20/84/544602084.db2.gz NEQZGPJAFLEJIR-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367532490 260056923 /nfs/dbraw/zinc/05/69/23/260056923.db2.gz BATHURPFMVZRIO-IAQYHMDHSA-N 0 2 360.370 1.620 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000367585865 260065603 /nfs/dbraw/zinc/06/56/03/260065603.db2.gz FNBFUKWQARPEDA-XHDPSFHLSA-N 0 2 359.382 1.916 20 5 FDBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)N[C@H]1CCOc2ccccc21 ZINC000374430546 261131131 /nfs/dbraw/zinc/13/11/31/261131131.db2.gz SAFAVJOBGWWJEF-AWEZNQCLSA-N 0 2 371.349 1.670 20 5 FDBDLN COc1cccc(-n2cc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])nn2)c1 ZINC000377158023 261732207 /nfs/dbraw/zinc/73/22/07/261732207.db2.gz NRVLACWTALJDNH-UHFFFAOYSA-N 0 2 369.337 1.820 20 5 FDBDLN CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000378420479 262021777 /nfs/dbraw/zinc/02/17/77/262021777.db2.gz JMTSMSFQMQBVBB-CYBMUJFWSA-N 0 2 351.359 1.512 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000509742047 490459456 /nfs/dbraw/zinc/45/94/56/490459456.db2.gz HGHBCJCPLJOCKX-UHFFFAOYSA-N 0 2 357.373 1.379 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000032143911 519485032 /nfs/dbraw/zinc/48/50/32/519485032.db2.gz RZTNDLHTGOXKLT-UHFFFAOYSA-N 0 2 365.323 1.839 20 5 FDBDLN NS(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000043585233 521874120 /nfs/dbraw/zinc/87/41/20/521874120.db2.gz AUSDOGAQCJDWSE-UHFFFAOYSA-N 0 2 371.396 1.184 20 5 FDBDLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000135252795 524124509 /nfs/dbraw/zinc/12/45/09/524124509.db2.gz HEWJPKATYXMXPE-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721158 524708918 /nfs/dbraw/zinc/70/89/18/524708918.db2.gz KVUVHBLTPXFEQO-OAHLLOKOSA-N 0 2 363.462 1.491 20 5 FDBDLN NC(=O)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000123687563 524809496 /nfs/dbraw/zinc/80/94/96/524809496.db2.gz YDNBOEBSXZINGD-GFCCVEGCSA-N 0 2 353.331 1.239 20 5 FDBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000175022558 524837386 /nfs/dbraw/zinc/83/73/86/524837386.db2.gz XHMWPUMLUHHXBH-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CNC(=O)c1ccc(N(C)Cc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])c1 ZINC000160592651 524922512 /nfs/dbraw/zinc/92/25/12/524922512.db2.gz RMVOIWNFNXQMHP-UHFFFAOYSA-N 0 2 373.394 1.889 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1[N+](=O)[O-] ZINC000093930491 525007873 /nfs/dbraw/zinc/00/78/73/525007873.db2.gz ZLEHQOMDTPCNPX-LBPRGKRZSA-N 0 2 352.372 1.862 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000152812825 525014728 /nfs/dbraw/zinc/01/47/28/525014728.db2.gz GCTFISOYKQCPGX-UHFFFAOYSA-N 0 2 363.149 1.850 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000116710642 525196360 /nfs/dbraw/zinc/19/63/60/525196360.db2.gz KZIQAYNYWGBAKJ-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN Cc1ccc(-n2cnnn2)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000181089972 525804285 /nfs/dbraw/zinc/80/42/85/525804285.db2.gz UKPGVYONXRYGBD-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000171156235 525874035 /nfs/dbraw/zinc/87/40/35/525874035.db2.gz MYXLKUFUDVFERR-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000171156620 525874528 /nfs/dbraw/zinc/87/45/28/525874528.db2.gz ASTQGKZQKFRHCD-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1C[C@H]1CCOC1 ZINC000171155964 525875461 /nfs/dbraw/zinc/87/54/61/525875461.db2.gz KOPUFWFRYGPKAI-GFCCVEGCSA-N 0 2 366.399 1.937 20 5 FDBDLN O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182089053 526049521 /nfs/dbraw/zinc/04/95/21/526049521.db2.gz FRWIORPQIAMUAX-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000109438953 526126870 /nfs/dbraw/zinc/12/68/70/526126870.db2.gz ZZEUQHJCJKCZQB-UHFFFAOYSA-N 0 2 370.408 1.940 20 5 FDBDLN CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1[O-])[NH+]1CCOCC1 ZINC000184621523 536169862 /nfs/dbraw/zinc/16/98/62/536169862.db2.gz FNAKNGCZUPMHRJ-CQSZACIVSA-N 0 2 351.403 1.777 20 5 FDBDLN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000185850484 536219187 /nfs/dbraw/zinc/21/91/87/536219187.db2.gz ITQMKLAXHPBBRO-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000189259839 537018384 /nfs/dbraw/zinc/01/83/84/537018384.db2.gz ORBILBQBGWXCDQ-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(c3ncc(Br)cc3[N+](=O)[O-])C2)o1 ZINC000285783163 537278875 /nfs/dbraw/zinc/27/88/75/537278875.db2.gz WZXLBEIDZPTIEX-SSDOTTSWSA-N 0 2 370.163 1.813 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)ccc1[N+](=O)[O-] ZINC000278440486 537328551 /nfs/dbraw/zinc/32/85/51/537328551.db2.gz VUGHZVLLQPEOAS-LLVKDONJSA-N 0 2 354.344 1.939 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000278118220 537629434 /nfs/dbraw/zinc/62/94/34/537629434.db2.gz ASITUCGDTHILNK-JTQLQIEISA-N 0 2 354.344 1.939 20 5 FDBDLN Cc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)nc(N2CCCC2)n1 ZINC000294261718 537678574 /nfs/dbraw/zinc/67/85/74/537678574.db2.gz XIVOIXAWJNXOAN-UHFFFAOYSA-N 0 2 357.370 1.929 20 5 FDBDLN Cc1nc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n[nH]1 ZINC000285396858 537700794 /nfs/dbraw/zinc/70/07/94/537700794.db2.gz OMRSCLWRDSFFCN-RXMQYKEDSA-N 0 2 363.758 1.853 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414437188 537807862 /nfs/dbraw/zinc/80/78/62/537807862.db2.gz BJYZTDSEKJXDQQ-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN COc1cc(S(=O)(=O)Nc2nc(CN(C)C)cs2)ccc1[N+](=O)[O-] ZINC000414452902 537809385 /nfs/dbraw/zinc/80/93/85/537809385.db2.gz BGDORLPNEARAHD-UHFFFAOYSA-N 0 2 372.428 1.922 20 5 FDBDLN O=C([O-])c1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]1 ZINC000416462686 537849818 /nfs/dbraw/zinc/84/98/18/537849818.db2.gz RVZRQAUGSLLERB-UHFFFAOYSA-N 0 2 362.367 1.712 20 5 FDBDLN COC(=O)CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000442116372 538355237 /nfs/dbraw/zinc/35/52/37/538355237.db2.gz VHOSOTTZQSXBOK-UHFFFAOYSA-N 0 2 372.384 1.353 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(C)nn2c1 ZINC000430363568 538383566 /nfs/dbraw/zinc/38/35/66/538383566.db2.gz WDFYPVFPSOYBOJ-UHFFFAOYSA-N 0 2 363.355 1.755 20 5 FDBDLN NC(=O)C[N@@H+]1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000447670848 538392584 /nfs/dbraw/zinc/39/25/84/538392584.db2.gz OBQGELPLNCHMMT-UHFFFAOYSA-N 0 2 370.365 1.396 20 5 FDBDLN NC(=O)C[N@H+]1CCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])cc2C1 ZINC000447670848 538392589 /nfs/dbraw/zinc/39/25/89/538392589.db2.gz OBQGELPLNCHMMT-UHFFFAOYSA-N 0 2 370.365 1.396 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC000467769192 538686041 /nfs/dbraw/zinc/68/60/41/538686041.db2.gz KSLGGDSXRBUAMI-UHFFFAOYSA-N 0 2 358.353 1.949 20 5 FDBDLN O=C(COCCNC(=O)c1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483441977 538701429 /nfs/dbraw/zinc/70/14/29/538701429.db2.gz QXLMZNBCEVHJBI-UHFFFAOYSA-N 0 2 359.338 1.686 20 5 FDBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000565507538 547377264 /nfs/dbraw/zinc/37/72/64/547377264.db2.gz ZGQYSRNIUFYGFD-UHFFFAOYSA-N 0 2 361.358 1.837 20 5 FDBDLN CCOC(=O)c1cnccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000569895026 549083854 /nfs/dbraw/zinc/08/38/54/549083854.db2.gz IFRNGWFFMXOWDJ-UHFFFAOYSA-N 0 2 365.367 1.698 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[C@@H](OC)C1 ZINC000573929998 550233977 /nfs/dbraw/zinc/23/39/77/550233977.db2.gz UWNDFUYVIALABS-JVLSTEMRSA-N 0 2 366.370 1.777 20 5 FDBDLN CCc1ccc(S(=O)(=O)Nc2ccn(CCC(N)=O)n2)cc1[N+](=O)[O-] ZINC000583381564 551343341 /nfs/dbraw/zinc/34/33/41/551343341.db2.gz QBQOQWAKGNFKED-UHFFFAOYSA-N 0 2 367.387 1.030 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1NC(C)=O ZINC000589657432 551740843 /nfs/dbraw/zinc/74/08/43/551740843.db2.gz CUHGEYOCPDWTTN-UHFFFAOYSA-N 0 2 366.355 1.180 20 5 FDBDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000592901080 552041005 /nfs/dbraw/zinc/04/10/05/552041005.db2.gz IMQCTCNXDFKSKX-ZDUSSCGKSA-N 0 2 361.276 1.441 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc(OC(C)C)n1 ZINC000594582474 552337349 /nfs/dbraw/zinc/33/73/49/552337349.db2.gz USPDRFPMPOUXNF-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FDBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)c1 ZINC000594696046 552356681 /nfs/dbraw/zinc/35/66/81/552356681.db2.gz CYCWUHSWFQBGRS-UHFFFAOYSA-N 0 2 352.372 1.944 20 5 FDBDLN CO[C@@H](CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000594719766 552363513 /nfs/dbraw/zinc/36/35/13/552363513.db2.gz GBYMDNIWTVCOGN-ZANVPECISA-N 0 2 370.387 1.264 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000594721821 552363932 /nfs/dbraw/zinc/36/39/32/552363932.db2.gz WVRCSJFBKZPFEW-NHYWBVRUSA-N 0 2 374.415 1.534 20 5 FDBDLN COCc1nccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000594728020 552365448 /nfs/dbraw/zinc/36/54/48/552365448.db2.gz CAWFTCUNQDOVGF-UHFFFAOYSA-N 0 2 352.372 1.949 20 5 FDBDLN O=C([O-])[C@H]1C[C@@H](Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])[C@@H](O)C1 ZINC000595977273 552640645 /nfs/dbraw/zinc/64/06/45/552640645.db2.gz FUCVYGUIVVKQLT-BJJXKVORSA-N 0 2 365.386 1.063 20 5 FDBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597709016 552824811 /nfs/dbraw/zinc/82/48/11/552824811.db2.gz FUHKMJFUJKDJCJ-GFCCVEGCSA-N 0 2 369.805 1.891 20 5 FDBDLN O=C(N[C@@H](C1CCOCC1)C1(CO)CCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000597851854 552840785 /nfs/dbraw/zinc/84/07/85/552840785.db2.gz VUDPLPQOJCHFJH-INIZCTEOSA-N 0 2 364.398 1.988 20 5 FDBDLN CCOC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(F)(F)F ZINC000598046782 552860480 /nfs/dbraw/zinc/86/04/80/552860480.db2.gz HMDZFXDWCINXDA-SNVBAGLBSA-N 0 2 350.249 1.914 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)cn1 ZINC000598714796 552927690 /nfs/dbraw/zinc/92/76/90/552927690.db2.gz SPTVCIMTPYUQOQ-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN CO[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@](C)(C(=O)[O-])C1 ZINC000600871984 553323025 /nfs/dbraw/zinc/32/30/25/553323025.db2.gz GQCMTSGWXYLJJA-YVEFUNNKSA-N 0 2 374.353 1.485 20 5 FDBDLN Cn1cnnc1Sc1ccc(C(=O)N=c2cccn[nH]2)cc1[N+](=O)[O-] ZINC000609861192 554430830 /nfs/dbraw/zinc/43/08/30/554430830.db2.gz RJDVPRLKNZZFJM-UHFFFAOYSA-N 0 2 357.355 1.917 20 5 FDBDLN COCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436663643 568249503 /nfs/dbraw/zinc/24/95/03/568249503.db2.gz HXBLGXADIIAPLP-UHFFFAOYSA-N 0 2 365.386 1.305 20 5 FDBDLN COc1ccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436670477 568265674 /nfs/dbraw/zinc/26/56/74/568265674.db2.gz GDXJLVUIASRFHQ-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1O ZINC000436674788 568286317 /nfs/dbraw/zinc/28/63/17/568286317.db2.gz SPBIRUYEZIIDMG-UHFFFAOYSA-N 0 2 367.339 1.591 20 5 FDBDLN O=C(NC[C@@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436675138 568288706 /nfs/dbraw/zinc/28/87/06/568288706.db2.gz YKTYWYOOWWFITJ-GFCCVEGCSA-N 0 2 363.292 1.293 20 5 FDBDLN NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436713557 568394679 /nfs/dbraw/zinc/39/46/79/568394679.db2.gz QYEIRZHNZNLKSI-ZDUSSCGKSA-N 0 2 363.757 1.780 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000738248939 602534463 /nfs/dbraw/zinc/53/44/63/602534463.db2.gz FRHBFVQYUMXPPQ-UHFFFAOYSA-N 0 2 350.375 1.916 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740174620 602539687 /nfs/dbraw/zinc/53/96/87/602539687.db2.gz KFQZVXBWMQUVAN-GFCCVEGCSA-N 0 2 350.375 1.773 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](CN(C)C(=O)[O-])C1 ZINC000740174620 602539688 /nfs/dbraw/zinc/53/96/88/602539688.db2.gz KFQZVXBWMQUVAN-GFCCVEGCSA-N 0 2 350.375 1.773 20 5 FDBDLN CN(C(=O)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O)C1CC1 ZINC000273221614 674517673 /nfs/dbraw/zinc/51/76/73/674517673.db2.gz NDMGIUVCJOIAEL-GFCCVEGCSA-N 0 2 351.384 1.436 20 5 FDBDLN C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828513887 603508277 /nfs/dbraw/zinc/50/82/77/603508277.db2.gz RKUXFISHZOOYLQ-JTQLQIEISA-N 0 2 356.766 1.272 20 5 FDBDLN C[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](CNC(=O)[O-])C1 ZINC000828513887 603508280 /nfs/dbraw/zinc/50/82/80/603508280.db2.gz RKUXFISHZOOYLQ-JTQLQIEISA-N 0 2 356.766 1.272 20 5 FDBDLN O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000833771235 604766418 /nfs/dbraw/zinc/76/64/18/604766418.db2.gz YKTWYGGBGRYRCB-ZDUSSCGKSA-N 0 2 360.313 1.854 20 5 FDBDLN CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000276442588 674729299 /nfs/dbraw/zinc/72/92/99/674729299.db2.gz JKXQLOSQNPMYFN-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000277053076 674845536 /nfs/dbraw/zinc/84/55/36/674845536.db2.gz NTDZUTARVOKYJW-UHFFFAOYSA-N 0 2 361.229 1.682 20 5 FDBDLN CN(C)C(=O)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2ccc(Cl)cc21 ZINC000365540242 677362451 /nfs/dbraw/zinc/36/24/51/677362451.db2.gz ZVYUFOBZBBBURY-GAJTVXKRSA-N 0 2 351.790 1.914 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c(C)cc1[N+](=O)[O-] ZINC000414372789 679343061 /nfs/dbraw/zinc/34/30/61/679343061.db2.gz LAHADVYBVQDSOB-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN NS(=O)(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436954783 681747070 /nfs/dbraw/zinc/74/70/70/681747070.db2.gz BCTAQOHTSPDXFT-UHFFFAOYSA-N 0 2 352.328 1.168 20 5 FDBDLN CS(=O)(=O)c1cccc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1[N+](=O)[O-] ZINC000439127648 681908170 /nfs/dbraw/zinc/90/81/70/681908170.db2.gz BZNRHYVWNKTQLA-UHFFFAOYSA-N 0 2 367.387 1.206 20 5 FDBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC)nc1 ZINC000442626981 682166768 /nfs/dbraw/zinc/16/67/68/682166768.db2.gz XDYSXJLVQSCNSH-UHFFFAOYSA-N 0 2 353.356 1.946 20 5 FDBDLN CO[C@@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F ZINC000468867615 684934537 /nfs/dbraw/zinc/93/45/37/684934537.db2.gz HAXQLWQIBWIGPF-VIFPVBQESA-N 0 2 360.285 1.980 20 5 FDBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCCn1cc([N+](=O)[O-])cn1 ZINC000489561723 687104400 /nfs/dbraw/zinc/10/44/00/687104400.db2.gz KMCUEELRPKVWOX-UHFFFAOYSA-N 0 2 359.371 1.553 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c([N+](=O)[O-])c1 ZINC000509635741 689292609 /nfs/dbraw/zinc/29/26/09/689292609.db2.gz OIAFEQCZVWHMSA-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=c1[nH]nc(C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH]1 ZINC000515140058 689819533 /nfs/dbraw/zinc/81/95/33/689819533.db2.gz AFBNHMMZFWIACN-UHFFFAOYSA-N 0 2 359.389 1.048 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000521183625 690391266 /nfs/dbraw/zinc/39/12/66/690391266.db2.gz QIBZUNZZCYIJLC-JTQLQIEISA-N 0 2 370.343 1.639 20 5 FDBDLN O=C(Nc1cc(-c2cccnc2)nn1CCO)c1ccc([N+](=O)[O-])cc1O ZINC000377290335 791469914 /nfs/dbraw/zinc/46/99/14/791469914.db2.gz YMVAWAUFKXDTKB-UHFFFAOYSA-N 0 2 369.337 1.804 20 5 FDBDLN CCOc1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC000478815826 844195934 /nfs/dbraw/zinc/19/59/34/844195934.db2.gz VSZDGFSIQYYDOV-UHFFFAOYSA-N 0 2 365.346 1.188 20 5 FDBDLN Cn1nccc1[C@@H]1[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC(=O)N1C ZINC000490601942 861603293 /nfs/dbraw/zinc/60/32/93/861603293.db2.gz ACZSUMQGXVALTA-BMIGLBTASA-N 0 2 359.342 1.192 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)s1 ZINC000921863486 892191859 /nfs/dbraw/zinc/19/18/59/892191859.db2.gz WBVLGUWXDXYLJY-RCOVLWMOSA-N 0 2 360.335 1.902 20 5 FDBDLN NC(=O)c1cnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000727247546 910663872 /nfs/dbraw/zinc/66/38/72/910663872.db2.gz BYWPLQWOMHWFML-UHFFFAOYSA-N 0 2 362.776 1.604 20 5 FDBDLN CC1(S(=O)(=O)[N-]C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000806026837 938874595 /nfs/dbraw/zinc/87/45/95/938874595.db2.gz NTRCBBPUAUOYIV-UHFFFAOYSA-N 0 2 350.356 1.393 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000812281801 941191092 /nfs/dbraw/zinc/19/10/92/941191092.db2.gz NKTXXOWTDZVOJS-UHFFFAOYSA-N 0 2 351.359 1.992 20 5 FDBDLN COc1ccc(S(=O)(=O)[N-]C(=O)C[C@@H](C)n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000845437203 949205654 /nfs/dbraw/zinc/20/56/54/949205654.db2.gz TYUIQGOWPRUFOQ-SNVBAGLBSA-N 0 2 368.371 1.256 20 5 FDBDLN CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773391660 962920587 /nfs/dbraw/zinc/92/05/87/962920587.db2.gz ZJJBJQFQJWDVDH-NSHDSACASA-N 0 2 357.388 1.172 20 5 FDBDLN COc1cc(C(=O)OCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000774898977 963991504 /nfs/dbraw/zinc/99/15/04/963991504.db2.gz ZOBXQZGINGZNAH-UHFFFAOYSA-N 0 2 360.229 1.386 20 5 FDBDLN CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000776200243 975109185 /nfs/dbraw/zinc/10/91/85/975109185.db2.gz RUSCBMQIGKCBCU-UHFFFAOYSA-N 0 2 351.340 1.924 20 5 FDBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)[O-] ZINC001595213025 980003330 /nfs/dbraw/zinc/00/33/30/980003330.db2.gz RYZKAYKGACUQFQ-DZGCQCFKSA-N 0 2 360.370 1.630 20 5 FDBDLN C[C@H](C(=O)N[C@H](Cn1cc[nH+]c1)C(=O)[O-])c1ccc([N+](=O)[O-])cc1F ZINC001589386702 986488436 /nfs/dbraw/zinc/48/84/36/986488436.db2.gz BDTQEIBKRDTAJV-TVQRCGJNSA-N 0 2 350.306 1.304 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443993 986794352 /nfs/dbraw/zinc/79/43/52/986794352.db2.gz HKJZHPLMYZVSJA-WDEREUQCSA-N 0 2 374.357 1.159 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589443993 986794361 /nfs/dbraw/zinc/79/43/61/986794361.db2.gz HKJZHPLMYZVSJA-WDEREUQCSA-N 0 2 374.357 1.159 20 5 FDBDLN Cc1cc(NC(=O)C2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)no1 ZINC000366949913 988867689 /nfs/dbraw/zinc/86/76/89/988867689.db2.gz BEMPZERLOBMKHE-UHFFFAOYSA-N 0 2 374.353 2.088 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C[C@H]1CC(=O)[O-] ZINC001599863810 989210351 /nfs/dbraw/zinc/21/03/51/989210351.db2.gz YAWIYKCLNFHIKM-DGCLKSJQSA-N 0 2 358.354 1.963 20 5 FDBDLN C[C@@H]1NC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)=NN(c2ccccc2)C1=O ZINC000363950616 989465939 /nfs/dbraw/zinc/46/59/39/989465939.db2.gz IGSBVTYRWOPWFW-JTQLQIEISA-N 0 2 369.337 1.577 20 5 FDBDLN CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])c([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001590765937 990569261 /nfs/dbraw/zinc/56/92/61/990569261.db2.gz IDUBQFCXBGGXAN-UHFFFAOYSA-N 0 2 368.371 1.203 20 5 FDBDLN Cc1noc(Cn2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2=O)n1 ZINC000468998265 993737553 /nfs/dbraw/zinc/73/75/53/993737553.db2.gz PLNSMXASXHZOPC-UHFFFAOYSA-N 0 2 371.309 1.454 20 5 FDBDLN C[C@](O)(C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)[O-] ZINC001593396574 995142280 /nfs/dbraw/zinc/14/22/80/995142280.db2.gz QNFOILRZUZSVNH-ZDUSSCGKSA-N 0 2 359.176 1.551 20 5 FDBDLN C[C@](O)(C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C(=O)[O-] ZINC001593396574 995142285 /nfs/dbraw/zinc/14/22/85/995142285.db2.gz QNFOILRZUZSVNH-ZDUSSCGKSA-N 0 2 359.176 1.551 20 5 FDBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000879764584 995265598 /nfs/dbraw/zinc/26/55/98/995265598.db2.gz XBPLNZOFNZQCNK-GXTWGEPZSA-N 0 2 361.320 1.771 20 5 FDBDLN COc1ccc(CNC(=O)c2c[nH]c3c(cnn3C)c2=O)cc1[N+](=O)[O-] ZINC000511897831 538965535 /nfs/dbraw/zinc/96/55/35/538965535.db2.gz VZQINQKIMXFHAZ-UHFFFAOYSA-N 0 2 357.326 1.521 20 5 FDBDLN O=C(Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000264020394 179015649 /nfs/dbraw/zinc/01/56/49/179015649.db2.gz JHSPAQZUGMWEMJ-UHFFFAOYSA-N 0 2 361.358 1.081 20 5 FDBDLN CC1(C)C[NH+]=C(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)S1 ZINC000269203205 180242684 /nfs/dbraw/zinc/24/26/84/180242684.db2.gz IIJPCZDDYZCKON-UHFFFAOYSA-N 0 2 364.427 1.940 20 5 FDBDLN CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271244146 180590548 /nfs/dbraw/zinc/59/05/48/180590548.db2.gz FTHYQXDTZCDAFH-JOYOIKCWSA-N 0 2 353.400 1.730 20 5 FDBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1CCCCS1(=O)=O ZINC000275001966 181215601 /nfs/dbraw/zinc/21/56/01/181215601.db2.gz ZBDQHUNUQWMXLX-NSHDSACASA-N 0 2 365.371 1.286 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000534056147 540319635 /nfs/dbraw/zinc/31/96/35/540319635.db2.gz LVFBRQPGGKXCPS-LBPRGKRZSA-N 0 2 369.333 1.758 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000538755003 540888450 /nfs/dbraw/zinc/88/84/50/540888450.db2.gz SUJCSLZWMXNDRD-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN O=C(c1ccccc1)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000538834479 540897930 /nfs/dbraw/zinc/89/79/30/540897930.db2.gz XSHIJVDITXTNRD-UHFFFAOYSA-N 0 2 355.350 1.899 20 5 FDBDLN O=C(Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000539921629 541007370 /nfs/dbraw/zinc/00/73/70/541007370.db2.gz DBWMPSCIECLVJU-GFCCVEGCSA-N 0 2 370.321 1.303 20 5 FDBDLN COc1cc(OC)nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000541781928 541264651 /nfs/dbraw/zinc/26/46/51/541264651.db2.gz DSGXJZMQQOQKPP-UHFFFAOYSA-N 0 2 368.371 1.820 20 5 FDBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1O ZINC000542235643 541360217 /nfs/dbraw/zinc/36/02/17/541360217.db2.gz IWRDRWKRDNSWGI-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000277251337 181744984 /nfs/dbraw/zinc/74/49/84/181744984.db2.gz ZLBQANZABDKVOS-UHFFFAOYSA-N 0 2 362.342 1.503 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000287156323 183224553 /nfs/dbraw/zinc/22/45/53/183224553.db2.gz FJPLSGZDMMIGFL-CMPLNLGQSA-N 0 2 371.415 1.138 20 5 FDBDLN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000287156335 183224560 /nfs/dbraw/zinc/22/45/60/183224560.db2.gz FJPLSGZDMMIGFL-ZYHUDNBSSA-N 0 2 371.415 1.138 20 5 FDBDLN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000548116744 542559905 /nfs/dbraw/zinc/55/99/05/542559905.db2.gz JNULAYIUSQHALE-UHFFFAOYSA-N 0 2 370.321 1.605 20 5 FDBDLN CS(=O)(=O)NCc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000548190385 542578768 /nfs/dbraw/zinc/57/87/68/542578768.db2.gz NIVMODIRCXBYRZ-UHFFFAOYSA-N 0 2 355.328 1.195 20 5 FDBDLN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000551315656 543270213 /nfs/dbraw/zinc/27/02/13/543270213.db2.gz HZUOZGAMSQRWIB-UHFFFAOYSA-N 0 2 370.321 1.745 20 5 FDBDLN CNc1nccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1[N+](=O)[O-] ZINC000553021397 543552891 /nfs/dbraw/zinc/55/28/91/543552891.db2.gz MZANQFOBOXNANY-UHFFFAOYSA-N 0 2 356.367 2.224 20 5 FDBDLN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000134319677 173322452 /nfs/dbraw/zinc/32/24/52/173322452.db2.gz FVHSOYOBWHMWAE-DOMZBBRYSA-N 0 2 360.370 1.620 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000554736505 543861308 /nfs/dbraw/zinc/86/13/08/543861308.db2.gz GDPGQOIHDMXPMD-UHFFFAOYSA-N 0 2 360.374 1.545 20 5 FDBDLN CS(=O)(=O)c1ccnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000556304673 544130094 /nfs/dbraw/zinc/13/00/94/544130094.db2.gz QLWZTTNOGDHMIY-UHFFFAOYSA-N 0 2 371.396 1.335 20 5 FDBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(c2cnccn2)CC1 ZINC000366082410 259904787 /nfs/dbraw/zinc/90/47/87/259904787.db2.gz AYMLKATXEKTQDX-UHFFFAOYSA-N 0 2 357.370 1.831 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(-c2ccccn2)n1 ZINC000367525933 260055499 /nfs/dbraw/zinc/05/54/99/260055499.db2.gz YOICWGPWCYZNDM-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cc1cc(S(=O)(=O)Nc2ncn(-c3cccnc3)n2)ccc1[N+](=O)[O-] ZINC000373375249 261005429 /nfs/dbraw/zinc/00/54/29/261005429.db2.gz DCPQXKNMCJMJDX-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000016725675 518767613 /nfs/dbraw/zinc/76/76/13/518767613.db2.gz WYYBEDHJNJZJNW-UHFFFAOYSA-N 0 2 351.340 1.503 20 5 FDBDLN COCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000030119617 519346678 /nfs/dbraw/zinc/34/66/78/519346678.db2.gz JGXKCJVLMFWFMD-UHFFFAOYSA-N 0 2 359.338 1.815 20 5 FDBDLN Cc1nnnn1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000041616223 519660801 /nfs/dbraw/zinc/66/08/01/519660801.db2.gz ADRXETNADPKCNN-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN CS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000058496410 522267389 /nfs/dbraw/zinc/26/73/89/522267389.db2.gz BTVSKNIGIWKOHZ-UHFFFAOYSA-N 0 2 370.408 1.940 20 5 FDBDLN O=C(c1ccsc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000080411283 523877591 /nfs/dbraw/zinc/87/75/91/523877591.db2.gz OMSINULAIHRUNQ-UHFFFAOYSA-N 0 2 361.379 1.960 20 5 FDBDLN C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408820 525256509 /nfs/dbraw/zinc/25/65/09/525256509.db2.gz IAEWAKUMPXBWOZ-INIZCTEOSA-N 0 2 362.430 1.212 20 5 FDBDLN O=C(CNC(=O)c1ccc(F)cc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000126616267 525332700 /nfs/dbraw/zinc/33/27/00/525332700.db2.gz HTGMHSUARVVCIM-UHFFFAOYSA-N 0 2 351.265 1.947 20 5 FDBDLN O=C(NCc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000185173002 536201419 /nfs/dbraw/zinc/20/14/19/536201419.db2.gz ZPBOPLYUABFHSY-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nnnn1-c1ccccc1 ZINC000186553044 536237212 /nfs/dbraw/zinc/23/72/12/536237212.db2.gz CFCHMCQZMJBNEH-SNVBAGLBSA-N 0 2 354.326 1.767 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000186934898 536249555 /nfs/dbraw/zinc/24/95/55/536249555.db2.gz ICHQOZFEDCEIBW-UHFFFAOYSA-N 0 2 357.248 1.567 20 5 FDBDLN COCCOCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000269986017 537268800 /nfs/dbraw/zinc/26/88/00/537268800.db2.gz SGWNSZVPOAJLCX-UHFFFAOYSA-N 0 2 370.330 1.601 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000273532074 537459994 /nfs/dbraw/zinc/45/99/94/537459994.db2.gz DCKMLIQGAINGED-UHFFFAOYSA-N 0 2 355.288 1.564 20 5 FDBDLN COC(=O)Cc1csc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000325025997 537624568 /nfs/dbraw/zinc/62/45/68/537624568.db2.gz HPMCYSQDVPUDQM-UHFFFAOYSA-N 0 2 371.396 1.876 20 5 FDBDLN CC(C)(C)n1cnc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)n1 ZINC000291716273 537666322 /nfs/dbraw/zinc/66/63/22/537666322.db2.gz PHAZGHWXQBJBJN-UHFFFAOYSA-N 0 2 356.346 1.979 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000481833547 538581931 /nfs/dbraw/zinc/58/19/31/538581931.db2.gz UGTOMOFAVLZNFG-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ccccc2)CC1 ZINC000462580394 538641392 /nfs/dbraw/zinc/64/13/92/538641392.db2.gz MXWDFIJGGQBPII-UHFFFAOYSA-N 0 2 370.365 1.588 20 5 FDBDLN Cc1noc2ncc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC000467770287 538685821 /nfs/dbraw/zinc/68/58/21/538685821.db2.gz LVVLADOGSXTYLU-UHFFFAOYSA-N 0 2 350.312 1.946 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000562577975 546184278 /nfs/dbraw/zinc/18/42/78/546184278.db2.gz WXKQGJJVHXLOOH-UHFFFAOYSA-N 0 2 364.383 1.788 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000563551176 546585454 /nfs/dbraw/zinc/58/54/54/546585454.db2.gz GIAOVOYOZWRNCA-UHFFFAOYSA-N 0 2 368.371 1.960 20 5 FDBDLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000566229445 547672018 /nfs/dbraw/zinc/67/20/18/547672018.db2.gz SAEURFRJVSNDMS-CYBMUJFWSA-N 0 2 352.372 1.981 20 5 FDBDLN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000566296777 547700046 /nfs/dbraw/zinc/70/00/46/547700046.db2.gz GMPRABCVUXWPFH-UHFFFAOYSA-N 0 2 360.374 1.539 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC[N@H+]1C ZINC000568517818 548571099 /nfs/dbraw/zinc/57/10/99/548571099.db2.gz CAJZEGBSKVITPL-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@@H]1[C@H](C)N(S(=O)(=O)c2cccc(C(=O)[O-])c2[N+](=O)[O-])CC[N@@H+]1C ZINC000568517818 548571100 /nfs/dbraw/zinc/57/11/00/548571100.db2.gz CAJZEGBSKVITPL-ZJUUUORDSA-N 0 2 357.388 1.006 20 5 FDBDLN O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000569489275 548937392 /nfs/dbraw/zinc/93/73/92/548937392.db2.gz RVBDSWUKMHCAFE-UONOGXRCSA-N 0 2 357.370 1.928 20 5 FDBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572074941 549836528 /nfs/dbraw/zinc/83/65/28/549836528.db2.gz CQQHQGZIZLHGAA-NSHDSACASA-N 0 2 360.374 1.545 20 5 FDBDLN O=[N+]([O-])c1cc(Cn2cn[n-]c2=[NH+]c2cccnc2)c2c(c1)COCO2 ZINC000573138527 550073204 /nfs/dbraw/zinc/07/32/04/550073204.db2.gz SMMWWXIVBFSFPI-UHFFFAOYSA-N 0 2 354.326 2.240 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCC[C@H](OC)C1 ZINC000573929996 550233966 /nfs/dbraw/zinc/23/39/66/550233966.db2.gz UWNDFUYVIALABS-ITDIGPHOSA-N 0 2 366.370 1.777 20 5 FDBDLN COCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000586774496 551618058 /nfs/dbraw/zinc/61/80/58/551618058.db2.gz LGVQUBIOIXDMSS-UHFFFAOYSA-N 0 2 354.359 1.731 20 5 FDBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1N1C(=O)CNC1=O ZINC000586817460 551622195 /nfs/dbraw/zinc/62/21/95/551622195.db2.gz IDIJJCCACWHDCG-UHFFFAOYSA-N 0 2 370.321 1.917 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cn1 ZINC000590598377 551796562 /nfs/dbraw/zinc/79/65/62/551796562.db2.gz XNYNQCVIGRALQR-UHFFFAOYSA-N 0 2 358.351 1.686 20 5 FDBDLN CC(C)(C)OC(=O)Cn1cnc(=NC(=O)c2ccc([N+](=O)[O-])s2)[nH]1 ZINC000592657844 552017242 /nfs/dbraw/zinc/01/72/42/552017242.db2.gz YFQNIFQQXMEBLM-UHFFFAOYSA-N 0 2 353.360 1.842 20 5 FDBDLN O=C(NCc1nc(C[NH+]2CCCCC2)no1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000597620840 552813085 /nfs/dbraw/zinc/81/30/85/552813085.db2.gz DCXCCSCOLFOEBS-UHFFFAOYSA-N 0 2 361.358 1.599 20 5 FDBDLN CC[C@H](C)n1nc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])cc1C ZINC000598614129 552916025 /nfs/dbraw/zinc/91/60/25/552916025.db2.gz OMQZOSMXVVCWBO-NSHDSACASA-N 0 2 361.406 2.441 20 5 FDBDLN CC(C)COC[C@H](NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccco1 ZINC000599228768 552994328 /nfs/dbraw/zinc/99/43/28/552994328.db2.gz FNEDAXRNKAUVBT-NSHDSACASA-N 0 2 372.403 1.614 20 5 FDBDLN Cc1ccccc1C(F)(F)CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599349139 553034031 /nfs/dbraw/zinc/03/40/31/553034031.db2.gz DZSUPTDXBQCUKI-UHFFFAOYSA-N 0 2 360.342 1.707 20 5 FDBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](CCc2ccccc2)C(F)F)n1 ZINC000599417464 553052589 /nfs/dbraw/zinc/05/25/89/553052589.db2.gz MNNFABPTVMHGAE-LLVKDONJSA-N 0 2 374.369 1.873 20 5 FDBDLN COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000600424314 553265051 /nfs/dbraw/zinc/26/50/51/553265051.db2.gz BKCZXRFKGHIVFQ-ZYHUDNBSSA-N 0 2 352.343 1.389 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc2n[nH]c(C)c2c1 ZINC000619507327 555792603 /nfs/dbraw/zinc/79/26/03/555792603.db2.gz DUJOLRCGSXHPCB-UHFFFAOYSA-N 0 2 363.355 1.984 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC(C)C)o1 ZINC000619507700 555792625 /nfs/dbraw/zinc/79/26/25/555792625.db2.gz CYOJVEZMPLEYQY-UHFFFAOYSA-N 0 2 356.360 1.986 20 5 FDBDLN CCOC(=O)c1cnn2c1nccc2C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000436619502 568059856 /nfs/dbraw/zinc/05/98/56/568059856.db2.gz PKWYYTMRHSUINB-UHFFFAOYSA-N 0 2 371.309 1.772 20 5 FDBDLN O=C(NC[C@H](N1CCOCC1)C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436675424 568289486 /nfs/dbraw/zinc/28/94/86/568289486.db2.gz YKTYWYOOWWFITJ-LBPRGKRZSA-N 0 2 363.292 1.293 20 5 FDBDLN COC(=O)C[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccn1 ZINC000436706638 568446128 /nfs/dbraw/zinc/44/61/28/568446128.db2.gz VPPDBKBPRXWPLG-QGZVFWFLSA-N 0 2 359.338 1.904 20 5 FDBDLN CCc1nn(Cc2csc([N+](=O)[O-])c2)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736707002 598642524 /nfs/dbraw/zinc/64/25/24/598642524.db2.gz OGEZPCFBKXNTQC-UHFFFAOYSA-N 0 2 361.387 1.566 20 5 FDBDLN C[C@@H]1C[N@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@@H]1C(=O)[O-] ZINC000828463843 601817603 /nfs/dbraw/zinc/81/76/03/601817603.db2.gz RMYPEZOEDMTVMK-RISCZKNCSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@@H]1C[N@@H+](Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)C[C@@H]1C(=O)[O-] ZINC000828463843 601817605 /nfs/dbraw/zinc/81/76/05/601817605.db2.gz RMYPEZOEDMTVMK-RISCZKNCSA-N 0 2 358.354 1.429 20 5 FDBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641108 601981488 /nfs/dbraw/zinc/98/14/88/601981488.db2.gz XJMCQTSAVLWHAA-SMDDNHRTSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641108 601981490 /nfs/dbraw/zinc/98/14/90/601981490.db2.gz XJMCQTSAVLWHAA-SMDDNHRTSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCN1C(=O)[O-] ZINC000739169810 602933212 /nfs/dbraw/zinc/93/32/12/602933212.db2.gz SIXWLYZHYOKQTK-NSHDSACASA-N 0 2 359.342 1.605 20 5 FDBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827932123 603676742 /nfs/dbraw/zinc/67/67/42/603676742.db2.gz LAFUELPJDOOZAT-LBPRGKRZSA-N 0 2 359.342 1.605 20 5 FDBDLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000278425908 675136437 /nfs/dbraw/zinc/13/64/37/675136437.db2.gz SJBOXPTYSAVQIX-UHFFFAOYSA-N 0 2 371.331 1.885 20 5 FDBDLN Cn1c(=O)oc2cc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000120241717 671686731 /nfs/dbraw/zinc/68/67/31/671686731.db2.gz AEJCZXNBLIQDQC-UHFFFAOYSA-N 0 2 355.353 1.902 20 5 FDBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cncnc2-n2cccn2)cs1 ZINC000127209427 671766927 /nfs/dbraw/zinc/76/69/27/671766927.db2.gz DIXVOCHEOMQHBB-UHFFFAOYSA-N 0 2 352.357 1.433 20 5 FDBDLN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000436899186 681742336 /nfs/dbraw/zinc/74/23/36/681742336.db2.gz IZHDANXRPDJWIZ-AWEZNQCLSA-N 0 2 352.343 1.389 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncccn2)c(Br)c1 ZINC000494437660 687544619 /nfs/dbraw/zinc/54/46/19/687544619.db2.gz CTQVJNCKQAVNEO-UHFFFAOYSA-N 0 2 359.161 1.948 20 5 FDBDLN CC(C)CN1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3O)CCN2C1=O ZINC000436816348 809688424 /nfs/dbraw/zinc/68/84/24/809688424.db2.gz RUFQLKDRLRZCBF-CYBMUJFWSA-N 0 2 362.386 1.518 20 5 FDBDLN CN(CCN1C(=O)c2ccccc2C1=O)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436899572 810060288 /nfs/dbraw/zinc/06/02/88/810060288.db2.gz KQDHBVPMFLBAJC-UHFFFAOYSA-N 0 2 369.333 1.669 20 5 FDBDLN C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)NC(=O)NC1=O ZINC000436869098 816767106 /nfs/dbraw/zinc/76/71/06/816767106.db2.gz LFPKXHGHZGZTCV-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436868477 816768155 /nfs/dbraw/zinc/76/81/55/816768155.db2.gz HLRQCOQYJIFPDF-UHFFFAOYSA-N 0 2 373.321 1.456 20 5 FDBDLN Cc1nc(Cn2nnc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C)no1 ZINC000427469020 818852537 /nfs/dbraw/zinc/85/25/37/818852537.db2.gz JOBAQWHVBXSRCV-UHFFFAOYSA-N 0 2 359.302 1.192 20 5 FDBDLN CC1CCN(c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)cc2[N+](=O)[O-])CC1 ZINC000480499135 845357903 /nfs/dbraw/zinc/35/79/03/845357903.db2.gz JBXYTEZSTAHDBT-UHFFFAOYSA-N 0 2 360.374 1.585 20 5 FDBDLN N=C1NC(=O)[C@@H](CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)S1 ZINC000765841560 896748487 /nfs/dbraw/zinc/74/84/87/896748487.db2.gz QGKWDBHYLFLNHS-ZWNOBZJWSA-N 0 2 366.424 1.725 20 5 FDBDLN CC(C)(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997778273 909686374 /nfs/dbraw/zinc/68/63/74/909686374.db2.gz WZDLMIFMYLKUDP-CHWSQXEVSA-N 0 2 365.434 1.361 20 5 FDBDLN CC(C)(C)c1nnc(CNCC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997778273 909686398 /nfs/dbraw/zinc/68/63/98/909686398.db2.gz WZDLMIFMYLKUDP-CHWSQXEVSA-N 0 2 365.434 1.361 20 5 FDBDLN CNS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000770858451 930286604 /nfs/dbraw/zinc/28/66/04/930286604.db2.gz TVRGHXMPVCCMHS-UHFFFAOYSA-N 0 2 369.330 1.600 20 5 FDBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000790011531 933315338 /nfs/dbraw/zinc/31/53/38/933315338.db2.gz VIWQQYQKJRCNJS-LBPRGKRZSA-N 0 2 374.319 1.578 20 5 FDBDLN Cc1nc([N+](=O)[O-])c(-c2noc(C(C)(C)NC(=O)C(F)(F)F)n2)n1C ZINC000809478276 940843485 /nfs/dbraw/zinc/84/34/85/940843485.db2.gz BCCUFDQXDYPLDR-UHFFFAOYSA-N 0 2 362.268 1.600 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000810125137 940957664 /nfs/dbraw/zinc/95/76/64/940957664.db2.gz PNQFHYMVNBNURA-VIFPVBQESA-N 0 2 369.296 1.841 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810125137 940957666 /nfs/dbraw/zinc/95/76/66/940957666.db2.gz PNQFHYMVNBNURA-VIFPVBQESA-N 0 2 369.296 1.841 20 5 FDBDLN Cn1nccc1[C@@H](O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000857368528 971740599 /nfs/dbraw/zinc/74/05/99/971740599.db2.gz HKJLBKHMQGMWMD-INIZCTEOSA-N 0 2 360.370 1.620 20 5 FDBDLN CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000774219528 961897494 /nfs/dbraw/zinc/89/74/94/961897494.db2.gz ZNUQIESPGPKMJT-UHFFFAOYSA-N 0 2 367.358 1.012 20 5 FDBDLN CS(=O)(=O)NCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001174978505 962984730 /nfs/dbraw/zinc/98/47/30/962984730.db2.gz WOCAFLZXCGZLCS-UHFFFAOYSA-N 0 2 365.367 1.602 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)cc1 ZINC000775101018 965088655 /nfs/dbraw/zinc/08/86/55/965088655.db2.gz RQHVRLJRQLTEFL-UHFFFAOYSA-N 0 2 352.250 1.883 20 5 FDBDLN O=C(NCCS(=O)(=O)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000855578045 970510476 /nfs/dbraw/zinc/51/04/76/970510476.db2.gz FSJOPPDSOXICLJ-UHFFFAOYSA-N 0 2 356.278 1.007 20 5 FDBDLN C[C@](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593009007 980233465 /nfs/dbraw/zinc/23/34/65/980233465.db2.gz MERZFDQVQWPWHQ-PIGZYNQJSA-N 0 2 358.354 1.470 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000796531307 1014734405 /nfs/dbraw/zinc/73/44/05/1014734405.db2.gz XWTFQGFKLPMOIS-SNVBAGLBSA-N 0 2 373.325 1.930 20 5 FDBDLN C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1)[NH+]1CCSCC1 ZINC001589378158 986439570 /nfs/dbraw/zinc/43/95/70/986439570.db2.gz CTFKLBKGBIKLAP-BZNIZROVSA-N 0 2 367.427 1.448 20 5 FDBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCN1CCOCC1)c1ccccc1Cl ZINC000875938718 992207800 /nfs/dbraw/zinc/20/78/00/992207800.db2.gz DAPGKDWUBCIRAU-IUODEOHRSA-N 0 2 353.806 1.670 20 5 FDBDLN CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n[nH]1 ZINC000954909684 1007126232 /nfs/dbraw/zinc/12/62/32/1007126232.db2.gz VRBSWNNKPWDOKA-IUODEOHRSA-N 0 2 363.418 1.261 20 5 FDBDLN CS(=O)(=O)Nc1nnc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000518288427 539405473 /nfs/dbraw/zinc/40/54/73/539405473.db2.gz KQTZJCXQNACZBT-UHFFFAOYSA-N 0 2 361.336 1.209 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000534236230 540337827 /nfs/dbraw/zinc/33/78/27/540337827.db2.gz WJJGHDLGOBLYFI-UHFFFAOYSA-N 0 2 352.324 1.888 20 5 FDBDLN CCn1c(=O)[nH]c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc2c1=O ZINC000534791928 540412927 /nfs/dbraw/zinc/41/29/27/540412927.db2.gz LQJZNFKVGVTQBS-UHFFFAOYSA-N 0 2 370.321 1.988 20 5 FDBDLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000536703431 540641855 /nfs/dbraw/zinc/64/18/55/540641855.db2.gz XTDCUEZWNNJXNU-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000537654977 540757479 /nfs/dbraw/zinc/75/74/79/540757479.db2.gz XPERJMLESZGTQS-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1C ZINC000539239403 540938653 /nfs/dbraw/zinc/93/86/53/540938653.db2.gz MEFLGNNUHHDBIY-UHFFFAOYSA-N 0 2 368.371 1.142 20 5 FDBDLN O=C(NC[C@@H](CO)Cc1ccncc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000539933580 541009647 /nfs/dbraw/zinc/00/96/47/541009647.db2.gz MKFLHTBKVFWXTC-JTQLQIEISA-N 0 2 365.773 1.930 20 5 FDBDLN NS(=O)(=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000539970833 541014497 /nfs/dbraw/zinc/01/44/97/541014497.db2.gz BYJDDOPMTHAPKE-UHFFFAOYSA-N 0 2 351.340 1.129 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000541082544 541147697 /nfs/dbraw/zinc/14/76/97/541147697.db2.gz BENJFWNJJURXOQ-UHFFFAOYSA-N 0 2 367.339 1.586 20 5 FDBDLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000542516330 541418209 /nfs/dbraw/zinc/41/82/09/541418209.db2.gz FIDGUCPBEXMUHC-UHFFFAOYSA-N 0 2 369.330 1.528 20 5 FDBDLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000543868883 541674678 /nfs/dbraw/zinc/67/46/78/541674678.db2.gz HNKJHGIYJPXYJD-UHFFFAOYSA-N 0 2 351.340 1.886 20 5 FDBDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000545184324 541895386 /nfs/dbraw/zinc/89/53/86/541895386.db2.gz RWFKWCWMBFYXSL-UHFFFAOYSA-N 0 2 358.307 1.435 20 5 FDBDLN COc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(OC)c1OC ZINC000298719135 184486364 /nfs/dbraw/zinc/48/63/64/184486364.db2.gz JSPLEYQZSIQWLY-UHFFFAOYSA-N 0 2 362.342 1.727 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000060443359 221132677 /nfs/dbraw/zinc/13/26/77/221132677.db2.gz WBILMEDOIRLUDK-UHFFFAOYSA-N 0 2 354.388 1.855 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cncnc2-n2cccn2)cc1C ZINC000127236183 173069525 /nfs/dbraw/zinc/06/95/25/173069525.db2.gz UNBCJCOYCMEKCM-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN CCc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)no1 ZINC000179487151 258351982 /nfs/dbraw/zinc/35/19/82/258351982.db2.gz LSGFUHVLJDQVKX-UHFFFAOYSA-N 0 2 361.358 1.204 20 5 FDBDLN CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000276563630 258465261 /nfs/dbraw/zinc/46/52/61/258465261.db2.gz QEAAMFVQRHWUQV-UHFFFAOYSA-N 0 2 368.371 1.614 20 5 FDBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000556350203 544134648 /nfs/dbraw/zinc/13/46/48/544134648.db2.gz VMYRANFXCPSHIZ-UHFFFAOYSA-N 0 2 350.278 1.996 20 5 FDBDLN Cc1cc(S(N)(=O)=O)ccc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000557045292 544238244 /nfs/dbraw/zinc/23/82/44/544238244.db2.gz NQRDTYPISZTJBO-UHFFFAOYSA-N 0 2 365.367 1.186 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000557749877 544341566 /nfs/dbraw/zinc/34/15/66/544341566.db2.gz DWOPNTUUHWTBDJ-UHFFFAOYSA-N 0 2 368.411 1.731 20 5 FDBDLN NC(=O)c1cc2c([nH]c1=O)CCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368360623 260172116 /nfs/dbraw/zinc/17/21/16/260172116.db2.gz JMOOXOBNTJSQFN-LBPRGKRZSA-N 0 2 372.337 1.307 20 5 FDBDLN COC(=O)c1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000484015865 490370667 /nfs/dbraw/zinc/37/06/67/490370667.db2.gz UKOAMXHIMGAIJY-UHFFFAOYSA-N 0 2 352.328 1.281 20 5 FDBDLN O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031025402 519405711 /nfs/dbraw/zinc/40/57/11/519405711.db2.gz JQQBPHPTBVKBKK-UHFFFAOYSA-N 0 2 359.338 1.928 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000032096894 519482949 /nfs/dbraw/zinc/48/29/49/519482949.db2.gz AMKZOMKEPWDKTH-UHFFFAOYSA-N 0 2 365.367 1.432 20 5 FDBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnn(CC(N)=O)c2)cc1[N+](=O)[O-] ZINC000047251713 522478045 /nfs/dbraw/zinc/47/80/45/522478045.db2.gz IERUEZCPYMLVSY-UHFFFAOYSA-N 0 2 373.778 1.039 20 5 FDBDLN C[C@@]1(c2ccccc2)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1 ZINC000156965817 524182564 /nfs/dbraw/zinc/18/25/64/524182564.db2.gz SNKQFBMCTXLIKP-SFHVURJKSA-N 0 2 357.366 1.531 20 5 FDBDLN Cc1sc(C(=O)NCc2c(C)nc3cc(=O)[nH]n3c2C)cc1[N+](=O)[O-] ZINC000114412869 524795508 /nfs/dbraw/zinc/79/55/08/524795508.db2.gz DODLAYOGCAROAB-UHFFFAOYSA-N 0 2 361.383 1.848 20 5 FDBDLN O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000153561848 525248243 /nfs/dbraw/zinc/24/82/43/525248243.db2.gz MUUFNLMUHZDKPI-GFCCVEGCSA-N 0 2 370.325 1.702 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(C)nn2)n1 ZINC000127288667 525406344 /nfs/dbraw/zinc/40/63/44/525406344.db2.gz SNCKQTUHDQCARN-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN O=C(NCc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000179402811 525577991 /nfs/dbraw/zinc/57/79/91/525577991.db2.gz HXLQDNIERAMEDM-UHFFFAOYSA-N 0 2 353.338 1.870 20 5 FDBDLN Cn1nccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000108941070 526045856 /nfs/dbraw/zinc/04/58/56/526045856.db2.gz DINXFIOWZWWSGS-UHFFFAOYSA-N 0 2 361.177 1.892 20 5 FDBDLN CN(C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000133966962 526112603 /nfs/dbraw/zinc/11/26/03/526112603.db2.gz HUUSXVLLCGICCW-UHFFFAOYSA-N 0 2 357.779 1.905 20 5 FDBDLN CCC1(CC)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000185222450 536202771 /nfs/dbraw/zinc/20/27/71/536202771.db2.gz RBPCSWRFOVXRPO-SXBQZSJRSA-N 0 2 370.471 1.958 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)s1 ZINC000194995468 537360082 /nfs/dbraw/zinc/36/00/82/537360082.db2.gz VYNNYZQXDRULGY-UHFFFAOYSA-N 0 2 357.295 1.611 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000414451863 537810602 /nfs/dbraw/zinc/81/06/02/537810602.db2.gz JMWGGIKYNANLSM-UHFFFAOYSA-N 0 2 356.360 1.932 20 5 FDBDLN Cn1cc(-c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])nn2)cn1 ZINC000432951808 538185330 /nfs/dbraw/zinc/18/53/30/538185330.db2.gz WTHYTSSAQPRDHW-UHFFFAOYSA-N 0 2 374.382 1.727 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C2 ZINC000560488970 545520243 /nfs/dbraw/zinc/52/02/43/545520243.db2.gz GGIQZGNFAVVMCP-LLVKDONJSA-N 0 2 360.370 1.085 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)nc2)ccc1[N+](=O)[O-] ZINC000481815469 538575527 /nfs/dbraw/zinc/57/55/27/538575527.db2.gz NPLDKVNBQIZULB-UHFFFAOYSA-N 0 2 371.396 1.503 20 5 FDBDLN CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000561221612 545754475 /nfs/dbraw/zinc/75/44/75/545754475.db2.gz YETNPDNFBWIVKS-GWCFXTLKSA-N 0 2 371.415 1.138 20 5 FDBDLN O=C(NCCCN1C(=O)c2ccccc2C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000561295225 545791079 /nfs/dbraw/zinc/79/10/79/545791079.db2.gz MJQPZEWKZWAIGH-UHFFFAOYSA-N 0 2 369.333 1.717 20 5 FDBDLN C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565605081 547416443 /nfs/dbraw/zinc/41/64/43/547416443.db2.gz ZPFQPFCLXKGKBE-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000565605081 547416446 /nfs/dbraw/zinc/41/64/46/547416446.db2.gz ZPFQPFCLXKGKBE-UWVGGRQHSA-N 0 2 357.388 1.006 20 5 FDBDLN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CCOC)c1 ZINC000566229014 547670764 /nfs/dbraw/zinc/67/07/64/547670764.db2.gz FKVFRJWTSTZFEJ-UHFFFAOYSA-N 0 2 355.376 1.280 20 5 FDBDLN CN=c1[nH]nc(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)s1 ZINC000567157433 548015148 /nfs/dbraw/zinc/01/51/48/548015148.db2.gz OSRSAAKTDZWZCJ-UHFFFAOYSA-N 0 2 360.399 1.871 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCC[C@H](OC)C1 ZINC000573929995 550233831 /nfs/dbraw/zinc/23/38/31/550233831.db2.gz UWNDFUYVIALABS-IFUGULHKSA-N 0 2 366.370 1.777 20 5 FDBDLN COc1ccc(S(=O)(=O)Nc2cc(C)nc3ncnn32)cc1[N+](=O)[O-] ZINC000575960149 550495128 /nfs/dbraw/zinc/49/51/28/550495128.db2.gz BPMLLCIJVWULNO-UHFFFAOYSA-N 0 2 364.343 1.150 20 5 FDBDLN COC(=O)[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC000577186707 550629926 /nfs/dbraw/zinc/62/99/26/550629926.db2.gz HBINPHZOESXJAW-MISXGVKJSA-N 0 2 366.370 1.777 20 5 FDBDLN O=C([O-])C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000582549010 551240220 /nfs/dbraw/zinc/24/02/20/551240220.db2.gz HEETUPXOVNEOLR-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN O=C([O-])C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000582549010 551240222 /nfs/dbraw/zinc/24/02/22/551240222.db2.gz HEETUPXOVNEOLR-UHFFFAOYSA-N 0 2 371.777 1.752 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583030512 551294166 /nfs/dbraw/zinc/29/41/66/551294166.db2.gz OSJZQMRDEXDCHQ-LBPRGKRZSA-N 0 2 374.440 1.261 20 5 FDBDLN O=C([O-])C[C@H]1CSCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583030512 551294168 /nfs/dbraw/zinc/29/41/68/551294168.db2.gz OSJZQMRDEXDCHQ-LBPRGKRZSA-N 0 2 374.440 1.261 20 5 FDBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(S(C)(=O)=O)c1 ZINC000584342226 551483236 /nfs/dbraw/zinc/48/32/36/551483236.db2.gz BATCLYWCOWHSAF-UHFFFAOYSA-N 0 2 366.351 1.965 20 5 FDBDLN NS(=O)(=O)c1ccc(F)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000586782949 551619150 /nfs/dbraw/zinc/61/91/50/551619150.db2.gz WLNOXEVLWJHWPV-UHFFFAOYSA-N 0 2 369.330 1.017 20 5 FDBDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000592901227 552040891 /nfs/dbraw/zinc/04/08/91/552040891.db2.gz KCSDMIIFXUYKBG-CYBMUJFWSA-N 0 2 361.276 1.441 20 5 FDBDLN Cc1ccc([C@H](C)NC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000593566663 552136399 /nfs/dbraw/zinc/13/63/99/552136399.db2.gz MVZVBMMCGGFGCP-NSHDSACASA-N 0 2 360.374 1.892 20 5 FDBDLN CCC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000593738260 552187663 /nfs/dbraw/zinc/18/76/63/552187663.db2.gz YSQXDVJOVKUQSR-ZDUSSCGKSA-N 0 2 356.400 1.692 20 5 FDBDLN CCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000593738260 552187664 /nfs/dbraw/zinc/18/76/64/552187664.db2.gz YSQXDVJOVKUQSR-ZDUSSCGKSA-N 0 2 356.400 1.692 20 5 FDBDLN C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597992159 552853473 /nfs/dbraw/zinc/85/34/73/552853473.db2.gz BIWJXKVUVHQGSB-ZJUUUORDSA-N 0 2 357.794 1.793 20 5 FDBDLN C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000597992159 552853475 /nfs/dbraw/zinc/85/34/75/552853475.db2.gz BIWJXKVUVHQGSB-ZJUUUORDSA-N 0 2 357.794 1.793 20 5 FDBDLN CC(C)(C)OC(=O)Cn1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000598544806 552907986 /nfs/dbraw/zinc/90/79/86/552907986.db2.gz BOTDTKXUISXDMC-UHFFFAOYSA-N 0 2 362.342 2.091 20 5 FDBDLN COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000600452066 553270410 /nfs/dbraw/zinc/27/04/10/553270410.db2.gz VOAMFHSIQUMMQA-CMPLNLGQSA-N 0 2 352.343 1.389 20 5 FDBDLN Cc1nc(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])nc2c1CCCC2 ZINC000600666725 553296534 /nfs/dbraw/zinc/29/65/34/553296534.db2.gz CMFNYGQDAZYINU-UHFFFAOYSA-N 0 2 352.376 1.106 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000608852430 554324728 /nfs/dbraw/zinc/32/47/28/554324728.db2.gz DYZNSXBSYMKGGG-UHFFFAOYSA-N 0 2 369.330 1.642 20 5 FDBDLN COC(=O)c1cc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)on1 ZINC000611592339 554651034 /nfs/dbraw/zinc/65/10/34/554651034.db2.gz VHRWVMSABMXJSX-UHFFFAOYSA-N 0 2 358.270 1.407 20 5 FDBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(-n2cncn2)cn1 ZINC000616346236 555294095 /nfs/dbraw/zinc/29/40/95/555294095.db2.gz QRLAIRVZRBQWIC-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COC(=O)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CCOCC1 ZINC000436709133 568397647 /nfs/dbraw/zinc/39/76/47/568397647.db2.gz VAMPXXRGHUEWPN-UHFFFAOYSA-N 0 2 352.343 1.390 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739869748 601962544 /nfs/dbraw/zinc/96/25/44/601962544.db2.gz BQYFDSWLKKIILG-SNVBAGLBSA-N 0 2 352.347 1.131 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000739869748 601962547 /nfs/dbraw/zinc/96/25/47/601962547.db2.gz BQYFDSWLKKIILG-SNVBAGLBSA-N 0 2 352.347 1.131 20 5 FDBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N(C)C(=O)[O-])CC1 ZINC000737565093 602533159 /nfs/dbraw/zinc/53/31/59/602533159.db2.gz CATJZCYFEPHECY-NSHDSACASA-N 0 2 350.375 1.996 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918211 602761297 /nfs/dbraw/zinc/76/12/97/602761297.db2.gz CVURCARBHQIIOT-JQWIXIFHSA-N 0 2 366.374 1.520 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000739918211 602761299 /nfs/dbraw/zinc/76/12/99/602761299.db2.gz CVURCARBHQIIOT-JQWIXIFHSA-N 0 2 366.374 1.520 20 5 FDBDLN CC(C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738791981 603418645 /nfs/dbraw/zinc/41/86/45/603418645.db2.gz VMONNSMBYDGFIH-GFCCVEGCSA-N 0 2 361.358 1.803 20 5 FDBDLN CN(C[C@H]1CCC[N@@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(=O)[O-] ZINC000828230348 603613415 /nfs/dbraw/zinc/61/34/15/603613415.db2.gz PDAHZRMBLLQNLY-CYBMUJFWSA-N 0 2 360.374 1.885 20 5 FDBDLN CN(C[C@H]1CCC[N@H+]1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C(=O)[O-] ZINC000828230348 603613417 /nfs/dbraw/zinc/61/34/17/603613417.db2.gz PDAHZRMBLLQNLY-CYBMUJFWSA-N 0 2 360.374 1.885 20 5 FDBDLN COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441754 603847141 /nfs/dbraw/zinc/84/71/41/603847141.db2.gz IFYISGSJYAAPLS-WDEREUQCSA-N 0 2 366.374 1.615 20 5 FDBDLN COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829441754 603847146 /nfs/dbraw/zinc/84/71/46/603847146.db2.gz IFYISGSJYAAPLS-WDEREUQCSA-N 0 2 366.374 1.615 20 5 FDBDLN Cc1n[nH]cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000277202008 674883620 /nfs/dbraw/zinc/88/36/20/674883620.db2.gz FQTFQGGLWWUMKS-UHFFFAOYSA-N 0 2 355.332 1.952 20 5 FDBDLN CCOCc1nnc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000278452359 675139282 /nfs/dbraw/zinc/13/92/82/675139282.db2.gz YBPIZENFGBQWKE-UHFFFAOYSA-N 0 2 358.332 1.324 20 5 FDBDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000028779112 670796331 /nfs/dbraw/zinc/79/63/31/670796331.db2.gz LVUZRNLPOPIJBP-UHFFFAOYSA-N 0 2 357.369 1.826 20 5 FDBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000327876574 676596064 /nfs/dbraw/zinc/59/60/64/676596064.db2.gz YLLMLXPUFYLUJB-VIFPVBQESA-N 0 2 365.346 1.816 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1-n1ccnn1 ZINC000377545464 678559222 /nfs/dbraw/zinc/55/92/22/678559222.db2.gz YDNOWVOFOMDKIF-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN COC(=O)c1cnccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000430061251 681061539 /nfs/dbraw/zinc/06/15/39/681061539.db2.gz PKVZJZIOWDIKKV-UHFFFAOYSA-N 0 2 351.340 1.308 20 5 FDBDLN CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000456876807 683688080 /nfs/dbraw/zinc/68/80/80/683688080.db2.gz GWLFKPBIIOZHTB-UHFFFAOYSA-N 0 2 350.419 1.446 20 5 FDBDLN Cn1ccnc1[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000511240298 689493708 /nfs/dbraw/zinc/49/37/08/689493708.db2.gz KGKGCWPERRJXKD-GFCCVEGCSA-N 0 2 354.363 1.897 20 5 FDBDLN Cn1cc[nH+]c1[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000511240298 689493709 /nfs/dbraw/zinc/49/37/09/689493709.db2.gz KGKGCWPERRJXKD-GFCCVEGCSA-N 0 2 354.363 1.897 20 5 FDBDLN Cc1ccc2[nH]nc(C(=O)NC[C@H]3C[C@@H](NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)c2c1 ZINC000979007868 805976858 /nfs/dbraw/zinc/97/68/58/805976858.db2.gz MKHUKHBPBQBSQI-NDPMZMCLSA-N 0 2 371.397 1.161 20 5 FDBDLN O=[N+]([O-])c1cccc2c(NCCCCN3CC[NH+](CCO)CC3)ccnc21 ZINC000432318335 806971615 /nfs/dbraw/zinc/97/16/15/806971615.db2.gz AZDNQGPWTVDVHS-UHFFFAOYSA-N 0 2 373.457 1.945 20 5 FDBDLN NC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccccc1 ZINC000436852523 816763006 /nfs/dbraw/zinc/76/30/06/816763006.db2.gz OXCJDNOHHMNZTL-UHFFFAOYSA-N 0 2 367.321 1.837 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000436917842 816792487 /nfs/dbraw/zinc/79/24/87/816792487.db2.gz FVDAYSJDFNSZAQ-HNNXBMFYSA-N 0 2 355.350 1.484 20 5 FDBDLN Cc1cc(C(=O)N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])[C@H](C)C2)n[nH]1 ZINC000453605251 830964812 /nfs/dbraw/zinc/96/48/12/830964812.db2.gz CQRITXWJEKOYLV-GFCCVEGCSA-N 0 2 359.386 1.678 20 5 FDBDLN CC(C)n1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC001029964732 831938676 /nfs/dbraw/zinc/93/86/76/831938676.db2.gz WSKJULBZDCNXDC-HZPDHXFCSA-N 0 2 364.450 1.195 20 5 FDBDLN Cn1nccc1COCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496127694 877918219 /nfs/dbraw/zinc/91/82/19/877918219.db2.gz HBSKFJLXOAMISX-UHFFFAOYSA-N 0 2 357.330 1.269 20 5 FDBDLN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273178141 911177443 /nfs/dbraw/zinc/17/74/43/911177443.db2.gz GDDIWSDUBJIRPC-NEPJUHHUSA-N 0 2 365.386 1.304 20 5 FDBDLN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273178145 911179193 /nfs/dbraw/zinc/17/91/93/911179193.db2.gz GDDIWSDUBJIRPC-VXGBXAGGSA-N 0 2 365.386 1.304 20 5 FDBDLN CC(C)N(C)S(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000729912128 915785706 /nfs/dbraw/zinc/78/57/06/915785706.db2.gz PLNXDZHQBSDFKV-UHFFFAOYSA-N 0 2 367.387 1.095 20 5 FDBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC001133463098 941275384 /nfs/dbraw/zinc/27/53/84/941275384.db2.gz KZZUSDVPLFSCRP-VXGBXAGGSA-N 0 2 350.375 1.734 20 5 FDBDLN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000814047807 941536616 /nfs/dbraw/zinc/53/66/16/941536616.db2.gz OWQKDGOOBACQRE-VIFPVBQESA-N 0 2 371.396 1.766 20 5 FDBDLN Cc1nc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n[nH]1 ZINC000815044644 941758737 /nfs/dbraw/zinc/75/87/37/941758737.db2.gz GXIALPVCWVBBFQ-RXMQYKEDSA-N 0 2 363.758 1.853 20 5 FDBDLN O=c1[nH]nc([C@H]2CCCN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C2)[nH]1 ZINC000815046577 941759174 /nfs/dbraw/zinc/75/91/74/941759174.db2.gz YVWJYRZFSYAJHM-ZETCQYMHSA-N 0 2 359.389 1.048 20 5 FDBDLN Nc1ccc([N+](=O)[O-])c(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1 ZINC000844213821 947883594 /nfs/dbraw/zinc/88/35/94/947883594.db2.gz JKYNLWOWIKHPEF-UHFFFAOYSA-N 0 2 357.370 1.987 20 5 FDBDLN O=C([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000844301222 947962689 /nfs/dbraw/zinc/96/26/89/947962689.db2.gz QOKNIHUNPONJOC-UHFFFAOYSA-N 0 2 369.399 1.009 20 5 FDBDLN Cc1cc(S(=O)(=O)[N-]C(=O)C[C@H](C)n2cc[nH+]c2)cc([N+](=O)[O-])c1C ZINC000845435065 949202767 /nfs/dbraw/zinc/20/27/67/949202767.db2.gz JXXZBJGGLRAYHJ-NSHDSACASA-N 0 2 366.399 1.864 20 5 FDBDLN Cc1cc2c(N3CC(NC(=O)c4ccc([N+](=O)[O-])cc4O)C3)nccn2n1 ZINC001181193883 960649057 /nfs/dbraw/zinc/64/90/57/960649057.db2.gz SIQRZXIVWOTEAW-UHFFFAOYSA-N 0 2 368.353 1.270 20 5 FDBDLN CC1(C)CN=C(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)S1 ZINC000796579144 1015337184 /nfs/dbraw/zinc/33/71/84/1015337184.db2.gz QOTCUWZBCYNBOL-UHFFFAOYSA-N 0 2 364.427 1.940 20 5 FDBDLN CCN1C(=O)N=NC1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372320366 991013281 /nfs/dbraw/zinc/01/32/81/991013281.db2.gz MCVYPRIJJVQACT-UHFFFAOYSA-N 0 2 361.358 1.637 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001599590448 993673894 /nfs/dbraw/zinc/67/38/94/993673894.db2.gz BLKZGZQADTVCAC-JTQLQIEISA-N 0 2 351.359 1.870 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CCC2)c([N+](=O)[O-])c1 ZINC001599590448 993673898 /nfs/dbraw/zinc/67/38/98/993673898.db2.gz BLKZGZQADTVCAC-JTQLQIEISA-N 0 2 351.359 1.870 20 5 FDBDLN COC[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001599193585 997174644 /nfs/dbraw/zinc/17/46/44/997174644.db2.gz STPSVXOIIBHYQS-KRWDZBQOSA-N 0 2 363.370 1.050 20 5 FDBDLN COC[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001599193585 997174651 /nfs/dbraw/zinc/17/46/51/997174651.db2.gz STPSVXOIIBHYQS-KRWDZBQOSA-N 0 2 363.370 1.050 20 5 FDBDLN CN(C(=O)c1cc(-c2ccccc2)[nH]n1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000954757767 1006999833 /nfs/dbraw/zinc/99/98/33/1006999833.db2.gz SBSBJIOKSCZVSQ-CZUORRHYSA-N 0 2 369.381 1.025 20 5 FDBDLN CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCN(C(=O)c2cccc3[nH]cnc32)CC1 ZINC000956366432 1008048170 /nfs/dbraw/zinc/04/81/70/1008048170.db2.gz GDLIJFKGJONKKC-TZMCWYRMSA-N 0 2 371.397 1.339 20 5 FDBDLN O=C(NCCc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000513864798 539007861 /nfs/dbraw/zinc/00/78/61/539007861.db2.gz YHMRPBUQTREFRA-UHFFFAOYSA-N 0 2 354.326 1.249 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)c(C)nn2C)c([N+](=O)[O-])c1 ZINC000264403250 179098248 /nfs/dbraw/zinc/09/82/48/179098248.db2.gz DGQBSBVEOBLRQK-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN COCCC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000269007204 180196686 /nfs/dbraw/zinc/19/66/86/180196686.db2.gz YDDAWTFNBWXXKT-UHFFFAOYSA-N 0 2 351.359 1.058 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000269167602 180231871 /nfs/dbraw/zinc/23/18/71/180231871.db2.gz QLINBTLQEJFVEG-WFASDCNBSA-N 0 2 362.338 1.858 20 5 FDBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@H]3CCCO3)[nH]n2)c1 ZINC000531497869 540101295 /nfs/dbraw/zinc/10/12/95/540101295.db2.gz BNSVGUXSQLVTEC-GFCCVEGCSA-N 0 2 352.372 1.906 20 5 FDBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@H]3CCCO3)n[nH]2)c1 ZINC000531497869 540101299 /nfs/dbraw/zinc/10/12/99/540101299.db2.gz BNSVGUXSQLVTEC-GFCCVEGCSA-N 0 2 352.372 1.906 20 5 FDBDLN CCCCN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000538308955 540839835 /nfs/dbraw/zinc/83/98/35/540839835.db2.gz KQRRCMUEVUIIED-LLVKDONJSA-N 0 2 356.400 1.730 20 5 FDBDLN NS(=O)(=O)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000539972794 541014732 /nfs/dbraw/zinc/01/47/32/541014732.db2.gz RPBFCDCKVOKYCZ-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN NS(=O)(=O)Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000540166839 541030797 /nfs/dbraw/zinc/03/07/97/541030797.db2.gz RTJDMBYAMAPJIF-UHFFFAOYSA-N 0 2 351.340 1.341 20 5 FDBDLN COc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cccc1C(N)=O ZINC000541124192 541154556 /nfs/dbraw/zinc/15/45/56/541154556.db2.gz FFZXANOHGAGVPG-UHFFFAOYSA-N 0 2 365.367 1.812 20 5 FDBDLN CN1CC(=O)N(c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)C1=O ZINC000541693603 541247546 /nfs/dbraw/zinc/24/75/46/541247546.db2.gz VLZMKOJOKXHBDV-UHFFFAOYSA-N 0 2 370.321 1.951 20 5 FDBDLN O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000544504829 541778279 /nfs/dbraw/zinc/77/82/79/541778279.db2.gz JFDJUQRMKSUMAP-UHFFFAOYSA-N 0 2 356.294 1.609 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000283651335 182241691 /nfs/dbraw/zinc/24/16/91/182241691.db2.gz OGUIVANJXBMKAF-SWLSCSKDSA-N 0 2 350.371 1.598 20 5 FDBDLN C[C@@H](CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)c1nn[nH]n1 ZINC000296160814 184136300 /nfs/dbraw/zinc/13/63/00/184136300.db2.gz YQQOOEHQJDFIFL-VIFPVBQESA-N 0 2 356.346 1.374 20 5 FDBDLN COCCn1nc(C)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1C ZINC000175974069 174040668 /nfs/dbraw/zinc/04/06/68/174040668.db2.gz YLEWCVBIIDQHGQ-UHFFFAOYSA-N 0 2 372.378 1.994 20 5 FDBDLN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299596197 259009386 /nfs/dbraw/zinc/00/93/86/259009386.db2.gz XBDAGPOMGOBYAW-UHFFFAOYSA-N 0 2 357.370 1.454 20 5 FDBDLN O=C(NCC1CCN(c2ncccn2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000365506683 259851119 /nfs/dbraw/zinc/85/11/19/259851119.db2.gz VSLITIQAMPFKOJ-UHFFFAOYSA-N 0 2 357.370 1.737 20 5 FDBDLN Cn1cc(C(=O)NC2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000367505135 260052226 /nfs/dbraw/zinc/05/22/26/260052226.db2.gz LCAPYWQKGYZPIV-UHFFFAOYSA-N 0 2 373.369 1.069 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccccn3)n2)cc1[N+](=O)[O-] ZINC000367525107 260055932 /nfs/dbraw/zinc/05/59/32/260055932.db2.gz RBBVMZRXTKVPTP-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000367585863 260065573 /nfs/dbraw/zinc/06/55/73/260065573.db2.gz FNBFUKWQARPEDA-IAQYHMDHSA-N 0 2 359.382 1.916 20 5 FDBDLN O=C(NC[C@@H]1CCCN(c2ncccn2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367696363 260079020 /nfs/dbraw/zinc/07/90/20/260079020.db2.gz HCMQTUCTJDPXFA-LBPRGKRZSA-N 0 2 357.370 1.737 20 5 FDBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000373468720 261013281 /nfs/dbraw/zinc/01/32/81/261013281.db2.gz ZERHLPIXASJPJY-CYBMUJFWSA-N 0 2 362.363 1.901 20 5 FDBDLN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000373475542 261013822 /nfs/dbraw/zinc/01/38/22/261013822.db2.gz LYBYTOCPKUVQDU-CQSZACIVSA-N 0 2 360.370 1.864 20 5 FDBDLN O=C(c1ccccn1)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375611071 261381801 /nfs/dbraw/zinc/38/18/01/261381801.db2.gz IZJBTINLWYTBOZ-UHFFFAOYSA-N 0 2 370.365 1.684 20 5 FDBDLN O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000378609249 262053080 /nfs/dbraw/zinc/05/30/80/262053080.db2.gz PCDWUDVGWPCCBE-GFCCVEGCSA-N 0 2 357.370 1.737 20 5 FDBDLN COc1cccc(C(=O)NCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000026376481 519119893 /nfs/dbraw/zinc/11/98/93/519119893.db2.gz KFADLXTUHDCYDM-UHFFFAOYSA-N 0 2 359.338 1.469 20 5 FDBDLN Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000028943883 519260223 /nfs/dbraw/zinc/26/02/23/519260223.db2.gz SZZVBANUOUZDGG-UHFFFAOYSA-N 0 2 360.355 1.586 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000071091516 522097791 /nfs/dbraw/zinc/09/77/91/522097791.db2.gz QELLNLSTSQEIRJ-UHFFFAOYSA-N 0 2 363.351 1.899 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 ZINC000055586168 523828508 /nfs/dbraw/zinc/82/85/08/523828508.db2.gz RAIPNAXJFRTIBN-UHFFFAOYSA-N 0 2 365.367 1.432 20 5 FDBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-n3cnnn3)c2)cc1C ZINC000135820218 524171777 /nfs/dbraw/zinc/17/17/77/524171777.db2.gz SRBXCNSLBBKPSY-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n(-c2ncccn2)n1 ZINC000176466206 525122686 /nfs/dbraw/zinc/12/26/86/525122686.db2.gz QXKWKNVXIWRKEI-UHFFFAOYSA-N 0 2 374.382 1.988 20 5 FDBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ncccn2)c1 ZINC000154520406 525559603 /nfs/dbraw/zinc/55/96/03/525559603.db2.gz HSKGKBRMTOYQQB-UHFFFAOYSA-N 0 2 360.355 1.680 20 5 FDBDLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000129382228 525649718 /nfs/dbraw/zinc/64/97/18/525649718.db2.gz AGVRAKCWFOWNMD-UHFFFAOYSA-N 0 2 360.355 1.586 20 5 FDBDLN O=C(NCCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000182001953 526015681 /nfs/dbraw/zinc/01/56/81/526015681.db2.gz CQVXFXWNBGIRKG-UHFFFAOYSA-N 0 2 361.329 1.989 20 5 FDBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1C ZINC000134042427 526118625 /nfs/dbraw/zinc/11/86/25/526118625.db2.gz KEABNHICBWKGAK-UHFFFAOYSA-N 0 2 351.388 1.868 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(C(=O)N2CCOCC2)CC1 ZINC000280822365 537468943 /nfs/dbraw/zinc/46/89/43/537468943.db2.gz RTBIDOSUMMGZSW-UHFFFAOYSA-N 0 2 363.370 1.011 20 5 FDBDLN C[C@@H]1CN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3[O-])c[nH+]2)CCO1 ZINC000299351588 537555198 /nfs/dbraw/zinc/55/51/98/537555198.db2.gz NFWSLSATLYNAQL-GFCCVEGCSA-N 0 2 372.381 1.851 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2cc(C(=O)OC)sc2C)c([N+](=O)[O-])n1 ZINC000414463474 537816122 /nfs/dbraw/zinc/81/61/22/537816122.db2.gz RVJFIDMKAGBRKC-UHFFFAOYSA-N 0 2 374.400 1.769 20 5 FDBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000409617305 537867132 /nfs/dbraw/zinc/86/71/32/537867132.db2.gz SNXCCSGFZQADPX-LBPRGKRZSA-N 0 2 366.399 1.937 20 5 FDBDLN Cc1c([C@H]2[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC(=O)N2C)cnn1C ZINC000372889213 538056998 /nfs/dbraw/zinc/05/69/98/538056998.db2.gz GNMZWMATEXQOCE-MEDUHNTESA-N 0 2 373.369 1.500 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000372980420 538074815 /nfs/dbraw/zinc/07/48/15/538074815.db2.gz NRZCLXIVKYBGLG-UHFFFAOYSA-N 0 2 362.346 1.839 20 5 FDBDLN Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C2 ZINC000560489192 545521313 /nfs/dbraw/zinc/52/13/13/545521313.db2.gz KQWBNFNZXRDHLS-NSHDSACASA-N 0 2 360.370 1.085 20 5 FDBDLN COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273121 538269218 /nfs/dbraw/zinc/26/92/18/538269218.db2.gz VYPXMLJWXMXHII-ZUZCIYMTSA-N 0 2 351.359 1.727 20 5 FDBDLN COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424273121 538269226 /nfs/dbraw/zinc/26/92/26/538269226.db2.gz VYPXMLJWXMXHII-ZUZCIYMTSA-N 0 2 351.359 1.727 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000436703142 538412832 /nfs/dbraw/zinc/41/28/32/538412832.db2.gz CUGNSWDQOWPKOE-UHFFFAOYSA-N 0 2 368.411 1.731 20 5 FDBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000560578258 545548158 /nfs/dbraw/zinc/54/81/58/545548158.db2.gz JOGPBTJBZKTFQP-UONOGXRCSA-N 0 2 354.384 1.482 20 5 FDBDLN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469664936 538811587 /nfs/dbraw/zinc/81/15/87/538811587.db2.gz KNAKXDGOVSSNJM-UHFFFAOYSA-N 0 2 371.353 1.835 20 5 FDBDLN COc1ccc(Cn2ccc(Nc3nccc(C(N)=O)c3[N+](=O)[O-])n2)cc1 ZINC000570768565 549403145 /nfs/dbraw/zinc/40/31/45/549403145.db2.gz YBKUWRVWJASCBC-UHFFFAOYSA-N 0 2 368.353 2.086 20 5 FDBDLN C[C@H](c1cccnc1)[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000575871550 550485464 /nfs/dbraw/zinc/48/54/64/550485464.db2.gz HFVVXYHORJGOKP-GFCCVEGCSA-N 0 2 357.370 1.966 20 5 FDBDLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000580881337 551028096 /nfs/dbraw/zinc/02/80/96/551028096.db2.gz YSQLXEURBNWGMI-LLVKDONJSA-N 0 2 367.387 1.128 20 5 FDBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000581432440 551088094 /nfs/dbraw/zinc/08/80/94/551088094.db2.gz XEVKXQQIAFFWRD-UHFFFAOYSA-N 0 2 373.369 1.840 20 5 FDBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCc1cn[nH]c1C ZINC000590757307 551812961 /nfs/dbraw/zinc/81/29/61/551812961.db2.gz FRVKTEXFRPFUDH-UHFFFAOYSA-N 0 2 354.388 1.546 20 5 FDBDLN COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000591652643 551891753 /nfs/dbraw/zinc/89/17/53/551891753.db2.gz MZTUXZITUFPAAR-KRWDZBQOSA-N 0 2 374.353 1.486 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)C[C@@H](OC)C1CCOCC1 ZINC000592350237 551983410 /nfs/dbraw/zinc/98/34/10/551983410.db2.gz BBESEIDIFWGNDW-OAHLLOKOSA-N 0 2 374.415 1.787 20 5 FDBDLN CCN1C(=O)N=NC1C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000592814203 552031826 /nfs/dbraw/zinc/03/18/26/552031826.db2.gz JBBMVCHEMBTCHR-UHFFFAOYSA-N 0 2 361.358 1.637 20 5 FDBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000594731525 552366678 /nfs/dbraw/zinc/36/66/78/552366678.db2.gz WZHPSAOGDZGFCI-UHFFFAOYSA-N 0 2 368.371 1.707 20 5 FDBDLN O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000597609050 552811423 /nfs/dbraw/zinc/81/14/23/552811423.db2.gz CWHLHZKECBTMFG-QMMMGPOBSA-N 0 2 362.298 1.432 20 5 FDBDLN CCOC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(F)(F)F ZINC000598045637 552860162 /nfs/dbraw/zinc/86/01/62/552860162.db2.gz UNIKLSWMXRQSOK-SNVBAGLBSA-N 0 2 350.249 1.914 20 5 FDBDLN CCOC(=O)C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000598053925 552861517 /nfs/dbraw/zinc/86/15/17/552861517.db2.gz KWXKPSOEAPEBGZ-SNVBAGLBSA-N 0 2 350.249 1.914 20 5 FDBDLN Cn1ncc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])c1C(F)F ZINC000598609299 552915103 /nfs/dbraw/zinc/91/51/03/552915103.db2.gz WXGHYDOZUOAARM-UHFFFAOYSA-N 0 2 355.305 1.636 20 5 FDBDLN C[C@@H]1CN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C[C@@H](C(=O)[O-])O1 ZINC000600678956 553298746 /nfs/dbraw/zinc/29/87/46/553298746.db2.gz QVVJNLZUZVYGRR-WBMJQRKESA-N 0 2 365.386 1.105 20 5 FDBDLN NS(=O)(=O)c1ccc(-n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)cc1 ZINC000603807614 553816284 /nfs/dbraw/zinc/81/62/84/553816284.db2.gz BLJKLRSDSAZJNC-UHFFFAOYSA-N 0 2 360.351 1.383 20 5 FDBDLN O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609203659 554349407 /nfs/dbraw/zinc/34/94/07/554349407.db2.gz MNLJXDAEJCRXQS-SNVBAGLBSA-N 0 2 368.292 1.748 20 5 FDBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OCCO)cc1 ZINC000609512026 554385977 /nfs/dbraw/zinc/38/59/77/554385977.db2.gz WWTPIPGAOROVGW-UHFFFAOYSA-N 0 2 368.367 1.775 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000609848802 554428763 /nfs/dbraw/zinc/42/87/63/554428763.db2.gz GAQXBGHSUDJTGM-UHFFFAOYSA-N 0 2 372.428 1.975 20 5 FDBDLN CS(=O)(=O)NC1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CCCCC1 ZINC000611534571 554642917 /nfs/dbraw/zinc/64/29/17/554642917.db2.gz XMBNZRUEYKPIDQ-UHFFFAOYSA-N 0 2 371.415 1.282 20 5 FDBDLN COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])nn3C)s[nH]2)c1 ZINC000481868278 568138582 /nfs/dbraw/zinc/13/85/82/568138582.db2.gz UWKJPXNAMBIMLM-UHFFFAOYSA-N 0 2 360.355 1.530 20 5 FDBDLN CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1S(N)(=O)=O ZINC000436633679 568194628 /nfs/dbraw/zinc/19/46/28/568194628.db2.gz LRKTVDMWFYHQIV-UHFFFAOYSA-N 0 2 365.367 1.763 20 5 FDBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(S(C)(=O)=O)c1 ZINC000436684601 568279861 /nfs/dbraw/zinc/27/98/61/568279861.db2.gz CSOCFUSJNPGBTM-UHFFFAOYSA-N 0 2 366.351 1.965 20 5 FDBDLN C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000736653167 599775362 /nfs/dbraw/zinc/77/53/62/599775362.db2.gz TZVQNAPVPZLCBV-MNOVXSKESA-N 0 2 351.359 1.132 20 5 FDBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737974749 599858637 /nfs/dbraw/zinc/85/86/37/599858637.db2.gz WHNZCEDZGXRPHU-MRXNPFEDSA-N 0 2 359.338 1.957 20 5 FDBDLN O=C([O-])c1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000833296224 600901003 /nfs/dbraw/zinc/90/10/03/600901003.db2.gz YJPODMXOXNXAIT-AWEZNQCLSA-N 0 2 363.370 1.230 20 5 FDBDLN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273296087 674525596 /nfs/dbraw/zinc/52/55/96/674525596.db2.gz YVWHZYIBMFHCKF-SKDRFNHKSA-N 0 2 353.400 1.730 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000827439290 603533765 /nfs/dbraw/zinc/53/37/65/603533765.db2.gz IYOGCEHZHSGBSF-LLVKDONJSA-N 0 2 366.374 1.616 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000827439290 603533768 /nfs/dbraw/zinc/53/37/68/603533768.db2.gz IYOGCEHZHSGBSF-LLVKDONJSA-N 0 2 366.374 1.616 20 5 FDBDLN Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877975 603844745 /nfs/dbraw/zinc/84/47/45/603844745.db2.gz XKUYSUOEAGPHPH-NEPJUHHUSA-N 0 2 350.375 1.914 20 5 FDBDLN Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000829877975 603844746 /nfs/dbraw/zinc/84/47/46/603844746.db2.gz XKUYSUOEAGPHPH-NEPJUHHUSA-N 0 2 350.375 1.914 20 5 FDBDLN CCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827577534 604409502 /nfs/dbraw/zinc/40/95/02/604409502.db2.gz OZPFQWMPNJFEJV-CYBMUJFWSA-N 0 2 350.375 1.181 20 5 FDBDLN CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])cc1[N+](=O)[O-] ZINC000827577534 604409504 /nfs/dbraw/zinc/40/95/04/604409504.db2.gz OZPFQWMPNJFEJV-CYBMUJFWSA-N 0 2 350.375 1.181 20 5 FDBDLN Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000822327220 607154157 /nfs/dbraw/zinc/15/41/57/607154157.db2.gz DERHNLSNDMRBFB-UHFFFAOYSA-N 0 2 360.355 1.884 20 5 FDBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1ncccn1 ZINC000185642073 672262375 /nfs/dbraw/zinc/26/23/75/672262375.db2.gz ICZCPYCOKOANRR-UHFFFAOYSA-N 0 2 359.161 1.948 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCc1cn[nH]c1C ZINC000288843863 676061766 /nfs/dbraw/zinc/06/17/66/676061766.db2.gz DMKGHZSTAFFAJT-UHFFFAOYSA-N 0 2 354.388 1.546 20 5 FDBDLN CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436925693 681744870 /nfs/dbraw/zinc/74/48/70/681744870.db2.gz KMERQSAVWBKCET-UHFFFAOYSA-N 0 2 350.375 1.566 20 5 FDBDLN Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000463373207 684686400 /nfs/dbraw/zinc/68/64/00/684686400.db2.gz DYWHIAYYHQYSOP-UHFFFAOYSA-N 0 2 363.149 1.850 20 5 FDBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1S(N)(=O)=O ZINC000468756883 684925687 /nfs/dbraw/zinc/92/56/87/684925687.db2.gz AMCKHEAVMUVIMS-UHFFFAOYSA-N 0 2 351.340 1.509 20 5 FDBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000475828958 685651642 /nfs/dbraw/zinc/65/16/42/685651642.db2.gz HAIVNWFQYPOISR-UHFFFAOYSA-N 0 2 355.303 1.716 20 5 FDBDLN Cn1cc(-c2[nH]ncc2C(=O)NCCNc2ccccc2[N+](=O)[O-])cn1 ZINC000435831983 816196131 /nfs/dbraw/zinc/19/61/31/816196131.db2.gz XPNSZCANUNNKHS-UHFFFAOYSA-N 0 2 355.358 1.560 20 5 FDBDLN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436738120 816686650 /nfs/dbraw/zinc/68/66/50/816686650.db2.gz KMHJHERLTQUPEG-CJNGLKHVSA-N 0 2 373.369 1.267 20 5 FDBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c2ncccc12 ZINC000451109917 830253768 /nfs/dbraw/zinc/25/37/68/830253768.db2.gz WZJSNUUVQJTQIV-UHFFFAOYSA-N 0 2 374.382 1.872 20 5 FDBDLN C[N@@H+](Cc1nc(C2CC2)no1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964561 831933254 /nfs/dbraw/zinc/93/32/54/831933254.db2.gz ORPBUTZQKPUAFC-ZIAGYGMSSA-N 0 2 363.418 1.283 20 5 FDBDLN O=C(NCCN1C(=O)c2ccccc2C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508695495 838352865 /nfs/dbraw/zinc/35/28/65/838352865.db2.gz QAKSQEUFFMFOCV-UHFFFAOYSA-N 0 2 355.306 1.326 20 5 FDBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)n1 ZINC000490156607 860897931 /nfs/dbraw/zinc/89/79/31/860897931.db2.gz VWIRCBYDQLPFEM-UHFFFAOYSA-N 0 2 356.298 1.741 20 5 FDBDLN O=C(N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)c1n[nH]c2ccccc21 ZINC000943698837 899192323 /nfs/dbraw/zinc/19/23/23/899192323.db2.gz HQQSCBLNXLGDKE-NLRBGTRBSA-N 0 2 371.397 1.385 20 5 FDBDLN O=C(NCCc1n[nH]c(=S)o1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000787902073 932481244 /nfs/dbraw/zinc/48/12/44/932481244.db2.gz LMRWRCWNQNARJJ-LLVKDONJSA-N 0 2 363.355 1.118 20 5 FDBDLN C[C@H](COC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[N+](=O)[O-] ZINC000813106900 941333729 /nfs/dbraw/zinc/33/37/29/941333729.db2.gz HNXVRBMZBNYECW-SECBINFHSA-N 0 2 371.396 1.766 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000773060420 954896680 /nfs/dbraw/zinc/89/66/80/954896680.db2.gz YNPLIRAJHDWAEX-SNVBAGLBSA-N 0 2 373.325 1.930 20 5 FDBDLN CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[N@@H+]1C ZINC001591910530 976319726 /nfs/dbraw/zinc/31/97/26/976319726.db2.gz HQEMWKKFCQIGGB-CYBMUJFWSA-N 0 2 371.415 1.254 20 5 FDBDLN CC(C)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])CC[N@H+]1C ZINC001591910530 976319740 /nfs/dbraw/zinc/31/97/40/976319740.db2.gz HQEMWKKFCQIGGB-CYBMUJFWSA-N 0 2 371.415 1.254 20 5 FDBDLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848375952 976703089 /nfs/dbraw/zinc/70/30/89/976703089.db2.gz JGZPWSHDRHUSLG-BFYDXBDKSA-N 0 2 372.425 1.891 20 5 FDBDLN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000848375952 976703099 /nfs/dbraw/zinc/70/30/99/976703099.db2.gz JGZPWSHDRHUSLG-BFYDXBDKSA-N 0 2 372.425 1.891 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001597111438 986765501 /nfs/dbraw/zinc/76/55/01/986765501.db2.gz HNDFSJMOWTZDHW-INIZCTEOSA-N 0 2 367.358 1.108 20 5 FDBDLN CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](OC)(C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC001597111438 986765508 /nfs/dbraw/zinc/76/55/08/986765508.db2.gz HNDFSJMOWTZDHW-INIZCTEOSA-N 0 2 367.358 1.108 20 5 FDBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000298783048 990280586 /nfs/dbraw/zinc/28/05/86/990280586.db2.gz AAERZWZFMRCZAN-YUSALJHKSA-N 0 2 361.354 1.803 20 5 FDBDLN CC(C)([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1nocc1C(=O)[O-] ZINC001590866497 990759043 /nfs/dbraw/zinc/75/90/43/990759043.db2.gz DPCXTBKINNDMCL-UHFFFAOYSA-N 0 2 374.353 1.695 20 5 FDBDLN CC(C)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC001591366228 992375682 /nfs/dbraw/zinc/37/56/82/992375682.db2.gz OWCBCKRLODLTBW-UHFFFAOYSA-N 0 2 371.415 1.255 20 5 FDBDLN C[C@](NC(=O)c1cccc2[nH+]ccn21)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593176336 994055458 /nfs/dbraw/zinc/05/54/58/994055458.db2.gz TVVURTIPWHWBCH-QGZVFWFLSA-N 0 2 354.322 1.972 20 5 FDBDLN CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC001599073756 996821830 /nfs/dbraw/zinc/82/18/30/996821830.db2.gz PRMDWXCJWNMFOD-INIZCTEOSA-N 0 2 360.326 1.096 20 5 FDBDLN Cc1cccc(C(=O)OCCOCCNC(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC000779457065 1009584376 /nfs/dbraw/zinc/58/43/76/1009584376.db2.gz VUDAUSZCVNWKOF-UHFFFAOYSA-N 0 2 364.276 1.755 20 5 FDBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000506676198 538903077 /nfs/dbraw/zinc/90/30/77/538903077.db2.gz DECXUIHWOVMYRO-UHFFFAOYSA-N 0 2 374.401 1.581 20 5 FDBDLN CN(C)c1noc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)n1 ZINC000194501685 178214100 /nfs/dbraw/zinc/21/41/00/178214100.db2.gz PPMMKIQOYOJGLN-JTQLQIEISA-N 0 2 361.358 1.769 20 5 FDBDLN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268386231 180068806 /nfs/dbraw/zinc/06/88/06/180068806.db2.gz BPVUZJRCJZGMON-LBPRGKRZSA-N 0 2 371.415 1.234 20 5 FDBDLN O=C(Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1O ZINC000273266565 180895874 /nfs/dbraw/zinc/89/58/74/180895874.db2.gz UOZPCTHBVCUYCO-SNVBAGLBSA-N 0 2 366.355 1.109 20 5 FDBDLN CN1CC(=O)N(c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)C1=O ZINC000530834049 540052974 /nfs/dbraw/zinc/05/29/74/540052974.db2.gz CJPIUFHRMVFAIV-UHFFFAOYSA-N 0 2 370.321 1.951 20 5 FDBDLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533726383 540281636 /nfs/dbraw/zinc/28/16/36/540281636.db2.gz UTRWSTFOJALSEC-UHFFFAOYSA-N 0 2 371.334 1.911 20 5 FDBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000534056146 540319618 /nfs/dbraw/zinc/31/96/18/540319618.db2.gz LVFBRQPGGKXCPS-GFCCVEGCSA-N 0 2 369.333 1.758 20 5 FDBDLN COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000534903646 540426162 /nfs/dbraw/zinc/42/61/62/540426162.db2.gz XCPKRGQBXAVVKG-ZETCQYMHSA-N 0 2 356.278 1.209 20 5 FDBDLN CC1(C)NC(=O)N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000535515985 540479500 /nfs/dbraw/zinc/47/95/00/540479500.db2.gz HWCUPCSNWSSHKM-UHFFFAOYSA-N 0 2 350.331 1.350 20 5 FDBDLN CS(=O)(=O)C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000539489953 540966543 /nfs/dbraw/zinc/96/65/43/540966543.db2.gz NUYWMDRBUFUXEI-ZDUSSCGKSA-N 0 2 364.379 1.816 20 5 FDBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ncn(C)n2)c(C)c1[N+](=O)[O-] ZINC000295170508 184041169 /nfs/dbraw/zinc/04/11/69/184041169.db2.gz GGTYTTJUVSYOEU-UHFFFAOYSA-N 0 2 356.320 1.049 20 5 FDBDLN Cn1nnc2c1nccc2C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000548941986 542811592 /nfs/dbraw/zinc/81/15/92/542811592.db2.gz RYEJOGTWDWDERD-UHFFFAOYSA-N 0 2 365.313 1.309 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000550118730 543012108 /nfs/dbraw/zinc/01/21/08/543012108.db2.gz SOBDRJUQJYNEHT-UHFFFAOYSA-N 0 2 357.330 1.538 20 5 FDBDLN C[C@]1(c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2)NC(=O)NC1=O ZINC000552016701 543405773 /nfs/dbraw/zinc/40/57/73/543405773.db2.gz URNYLDSJKJFGAF-QGZVFWFLSA-N 0 2 370.321 1.607 20 5 FDBDLN Cn1cc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2(CO)CCC2)cn1 ZINC000552180401 543432960 /nfs/dbraw/zinc/43/29/60/543432960.db2.gz RNFOJHGCTYQTDK-HNNXBMFYSA-N 0 2 360.370 1.668 20 5 FDBDLN CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552202333 543436649 /nfs/dbraw/zinc/43/66/49/543436649.db2.gz RVBGWKSGXRTTQQ-AWEZNQCLSA-N 0 2 359.338 1.600 20 5 FDBDLN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1nc(=O)c2sccc2[nH]1 ZINC000131849827 173215097 /nfs/dbraw/zinc/21/50/97/173215097.db2.gz ZHDQGNMLADSZFZ-UHFFFAOYSA-N 0 2 361.383 1.187 20 5 FDBDLN Cc1c(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cccc1[N+](=O)[O-] ZINC000135673193 173350801 /nfs/dbraw/zinc/35/08/01/173350801.db2.gz WTQWOKZHDYXDCE-NSHDSACASA-N 0 2 352.372 1.862 20 5 FDBDLN O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179508627 258352387 /nfs/dbraw/zinc/35/23/87/258352387.db2.gz CBNIDASSZCJKHT-ZDUSSCGKSA-N 0 2 358.402 1.632 20 5 FDBDLN CS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000557013314 544234789 /nfs/dbraw/zinc/23/47/89/544234789.db2.gz ZZMRMTNMQVZOEC-UHFFFAOYSA-N 0 2 356.381 1.695 20 5 FDBDLN CC(C)CN1C[C@H]2CN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CCN2C1=O ZINC000557043186 544237819 /nfs/dbraw/zinc/23/78/19/544237819.db2.gz BFSOZAKUPSUCMW-GFCCVEGCSA-N 0 2 362.386 1.518 20 5 FDBDLN CN(CC(N)=O)C(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000557202126 544262388 /nfs/dbraw/zinc/26/23/88/544262388.db2.gz ZGCBTKFIOQUVMW-UHFFFAOYSA-N 0 2 372.337 1.110 20 5 FDBDLN COCCOc1ncccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000560135070 544894319 /nfs/dbraw/zinc/89/43/19/544894319.db2.gz LRWRNDRQLOPDMG-UHFFFAOYSA-N 0 2 353.356 1.816 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2c(Br)cnc2C1 ZINC000368459661 260186714 /nfs/dbraw/zinc/18/67/14/260186714.db2.gz UTNVKNNCCQGMOQ-UHFFFAOYSA-N 0 2 367.159 1.915 20 5 FDBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000013891887 518669797 /nfs/dbraw/zinc/66/97/97/518669797.db2.gz HKNZKIIYJMJDRP-UHFFFAOYSA-N 0 2 357.369 1.947 20 5 FDBDLN O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025384936 519060490 /nfs/dbraw/zinc/06/04/90/519060490.db2.gz DDKDXXYNHKSKAL-MRXNPFEDSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025384936 519060497 /nfs/dbraw/zinc/06/04/97/519060497.db2.gz DDKDXXYNHKSKAL-MRXNPFEDSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025384940 519060948 /nfs/dbraw/zinc/06/09/48/519060948.db2.gz DDKDXXYNHKSKAL-INIZCTEOSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000025384940 519060956 /nfs/dbraw/zinc/06/09/56/519060956.db2.gz DDKDXXYNHKSKAL-INIZCTEOSA-N 0 2 371.393 1.931 20 5 FDBDLN NC(=O)COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000028256212 519229812 /nfs/dbraw/zinc/22/98/12/519229812.db2.gz KCEHKLZXGCYGOH-UHFFFAOYSA-N 0 2 351.340 1.260 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC000071091506 522098817 /nfs/dbraw/zinc/09/88/17/522098817.db2.gz PZVPASVCLOTJOI-UHFFFAOYSA-N 0 2 363.351 1.899 20 5 FDBDLN CCS(=O)(=O)N(C)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000066931724 523272044 /nfs/dbraw/zinc/27/20/44/523272044.db2.gz SCBSZGHBBCBTLE-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN COC(=O)Cn1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000054040655 523559145 /nfs/dbraw/zinc/55/91/45/523559145.db2.gz XZHUAVKEPBNUQU-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN COC(=O)Cn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000067890925 523623958 /nfs/dbraw/zinc/62/39/58/523623958.db2.gz ISTWONFOOHGOGU-UHFFFAOYSA-N 0 2 354.344 1.074 20 5 FDBDLN O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164039846 525472054 /nfs/dbraw/zinc/47/20/54/525472054.db2.gz QHNPOSONVDESST-INIZCTEOSA-N 0 2 371.393 1.931 20 5 FDBDLN O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164039846 525472060 /nfs/dbraw/zinc/47/20/60/525472060.db2.gz QHNPOSONVDESST-INIZCTEOSA-N 0 2 371.393 1.931 20 5 FDBDLN Cc1c(C(=O)Nc2nnc(NS(C)(=O)=O)s2)cccc1[N+](=O)[O-] ZINC000108678069 526011996 /nfs/dbraw/zinc/01/19/96/526011996.db2.gz KSRHETKYSNIUHD-UHFFFAOYSA-N 0 2 357.373 1.379 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000185530211 536211291 /nfs/dbraw/zinc/21/12/91/536211291.db2.gz DBCDZAVLMZCRLV-LLVKDONJSA-N 0 2 357.370 1.858 20 5 FDBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2ccnn2CCO)CC1 ZINC000186012321 536223417 /nfs/dbraw/zinc/22/34/17/536223417.db2.gz OIBBEONPLUXTEP-UHFFFAOYSA-N 0 2 360.370 1.509 20 5 FDBDLN CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000263203314 536991745 /nfs/dbraw/zinc/99/17/45/536991745.db2.gz YUAVEDFHIIQZSE-OLZOCXBDSA-N 0 2 374.353 1.485 20 5 FDBDLN Cc1ccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000194744131 537325128 /nfs/dbraw/zinc/32/51/28/537325128.db2.gz BOHPABYPMGVTCI-UHFFFAOYSA-N 0 2 361.329 1.908 20 5 FDBDLN CCN(C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)S(C)(=O)=O ZINC000273193680 537410784 /nfs/dbraw/zinc/41/07/84/537410784.db2.gz INXGMZZPWACQKQ-UHFFFAOYSA-N 0 2 371.415 1.187 20 5 FDBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000276575992 537585915 /nfs/dbraw/zinc/58/59/15/537585915.db2.gz NUUNFKQRJIXFOY-UHFFFAOYSA-N 0 2 362.314 1.866 20 5 FDBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1C ZINC000467074345 538603166 /nfs/dbraw/zinc/60/31/66/538603166.db2.gz KNPHGVQRPXGXIQ-UHFFFAOYSA-N 0 2 369.355 1.529 20 5 FDBDLN O=C(N[C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000462758952 538656437 /nfs/dbraw/zinc/65/64/37/538656437.db2.gz BRKPUJAPBLXLIB-NSHDSACASA-N 0 2 359.313 1.975 20 5 FDBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000560761031 545596781 /nfs/dbraw/zinc/59/67/81/545596781.db2.gz PLBOOAAXZGFFGQ-UHFFFAOYSA-N 0 2 357.326 1.847 20 5 FDBDLN CC(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000566317234 547710034 /nfs/dbraw/zinc/71/00/34/547710034.db2.gz YQRDULKXBYJCNV-UHFFFAOYSA-N 0 2 357.388 1.008 20 5 FDBDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000566776823 547882080 /nfs/dbraw/zinc/88/20/80/547882080.db2.gz CPQMWSRIXBEDGO-UHFFFAOYSA-N 0 2 350.356 1.479 20 5 FDBDLN C[C@@H](c1cccnc1)[NH+]1CCN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000575871551 550485336 /nfs/dbraw/zinc/48/53/36/550485336.db2.gz HFVVXYHORJGOKP-LBPRGKRZSA-N 0 2 357.370 1.966 20 5 FDBDLN C[C@H](C(=O)Nc1nnc(NS(C)(=O)=O)s1)c1cccc([N+](=O)[O-])c1 ZINC000576535089 550559843 /nfs/dbraw/zinc/55/98/43/550559843.db2.gz KRZFOXGNORHFPK-ZETCQYMHSA-N 0 2 371.400 1.560 20 5 FDBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000585817984 551610932 /nfs/dbraw/zinc/61/09/32/551610932.db2.gz YQVVDMRUXVMLAG-BNOWGMLFSA-N 0 2 350.371 1.693 20 5 FDBDLN COC(=O)c1c(C)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000594730498 552366089 /nfs/dbraw/zinc/36/60/89/552366089.db2.gz LBPVUKUJUKNXIL-UHFFFAOYSA-N 0 2 368.371 1.533 20 5 FDBDLN COC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000596023322 552645514 /nfs/dbraw/zinc/64/55/14/552645514.db2.gz WWRDCPKRPPAGSU-UHFFFAOYSA-N 0 2 368.371 1.500 20 5 FDBDLN O=C(N[C@H](C1CCOCC1)C1(CO)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000597848013 552840262 /nfs/dbraw/zinc/84/02/62/552840262.db2.gz CZFNNBAJNOSHAJ-MRXNPFEDSA-N 0 2 364.398 1.988 20 5 FDBDLN Cc1cc(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000598610596 552915443 /nfs/dbraw/zinc/91/54/43/552915443.db2.gz IFFZGFDBCJPNNS-LBPRGKRZSA-N 0 2 373.417 2.441 20 5 FDBDLN CCO[C@H](CS(=O)(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1)C1CC1 ZINC000600652410 553291830 /nfs/dbraw/zinc/29/18/30/553291830.db2.gz RYPHBQSBKJODFR-CQSZACIVSA-N 0 2 372.399 1.938 20 5 FDBDLN O=C([O-])[C@@]1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCOC1 ZINC000600878219 553323916 /nfs/dbraw/zinc/32/39/16/553323916.db2.gz OUPKSHVUPHLXHP-QGZVFWFLSA-N 0 2 374.353 1.392 20 5 FDBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000609146919 554342872 /nfs/dbraw/zinc/34/28/72/554342872.db2.gz GQWJCFGZFCANJQ-UHFFFAOYSA-N 0 2 358.314 1.472 20 5 FDBDLN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)[nH]nc1C ZINC000609644519 554407782 /nfs/dbraw/zinc/40/77/82/554407782.db2.gz CRLGTMHSAMZYQQ-UHFFFAOYSA-N 0 2 350.356 1.657 20 5 FDBDLN O=C(N[C@H]1CCCN(C(=O)N2CCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436568616 567885348 /nfs/dbraw/zinc/88/53/48/567885348.db2.gz UWWNLLWAHSHNQI-LBPRGKRZSA-N 0 2 362.386 1.710 20 5 FDBDLN C[C@@]1(c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)NC(=O)NC1=O ZINC000436635211 568182186 /nfs/dbraw/zinc/18/21/86/568182186.db2.gz KTVIKUXLBWLLGU-KRWDZBQOSA-N 0 2 370.321 1.607 20 5 FDBDLN CCOC(=O)c1oc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])nc1C ZINC000481947442 568195284 /nfs/dbraw/zinc/19/52/84/568195284.db2.gz YNIKLABJVMZFJU-UHFFFAOYSA-N 0 2 373.347 1.085 20 5 FDBDLN C[C@H]1CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000736815328 601109309 /nfs/dbraw/zinc/10/93/09/601109309.db2.gz ZMPLVDDNMOZEGQ-XHDPSFHLSA-N 0 2 363.370 1.086 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641240 601980000 /nfs/dbraw/zinc/98/00/00/601980000.db2.gz ZJQPNBGMJORXBK-NWDGAFQWSA-N 0 2 350.375 1.996 20 5 FDBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738641240 601980002 /nfs/dbraw/zinc/98/00/02/601980002.db2.gz ZJQPNBGMJORXBK-NWDGAFQWSA-N 0 2 350.375 1.996 20 5 FDBDLN O=C([O-])N1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740417905 602585662 /nfs/dbraw/zinc/58/56/62/602585662.db2.gz SBQXUPWCZRUNBR-GFCCVEGCSA-N 0 2 359.342 1.653 20 5 FDBDLN O=C(NCC1CC1)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273155097 674512383 /nfs/dbraw/zinc/51/23/83/674512383.db2.gz ALMFSEJVKRWCCD-LBPRGKRZSA-N 0 2 351.384 1.342 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000740635883 603048021 /nfs/dbraw/zinc/04/80/21/603048021.db2.gz VRNLTAAKHHSVLP-GFCCVEGCSA-N 0 2 360.374 1.790 20 5 FDBDLN O=C([O-])NC[C@H]1CCC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000740635883 603048026 /nfs/dbraw/zinc/04/80/26/603048026.db2.gz VRNLTAAKHHSVLP-GFCCVEGCSA-N 0 2 360.374 1.790 20 5 FDBDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000828312778 604207494 /nfs/dbraw/zinc/20/74/94/604207494.db2.gz RQTVVRJNMFGUBT-UHFFFAOYSA-N 0 2 364.402 1.281 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263363 604225417 /nfs/dbraw/zinc/22/54/17/604225417.db2.gz GHNNQALNBHJHMS-NWDGAFQWSA-N 0 2 350.375 1.901 20 5 FDBDLN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000825263363 604225418 /nfs/dbraw/zinc/22/54/18/604225418.db2.gz GHNNQALNBHJHMS-NWDGAFQWSA-N 0 2 350.375 1.901 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-] ZINC000830432521 605741677 /nfs/dbraw/zinc/74/16/77/605741677.db2.gz GOFIOUWHNCZOOA-GFCCVEGCSA-N 0 2 351.363 1.319 20 5 FDBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000830432521 605741679 /nfs/dbraw/zinc/74/16/79/605741679.db2.gz GOFIOUWHNCZOOA-GFCCVEGCSA-N 0 2 351.363 1.319 20 5 FDBDLN C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C)CN1C(=O)[O-] ZINC000833838643 605838340 /nfs/dbraw/zinc/83/83/40/605838340.db2.gz WRUMVGZFLLINKI-VXGBXAGGSA-N 0 2 373.369 1.993 20 5 FDBDLN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1n[nH]c(-c2ccccc2)n1 ZINC000823625434 606706292 /nfs/dbraw/zinc/70/62/92/606706292.db2.gz VCIFBYSNGLXQFS-UHFFFAOYSA-N 0 2 364.329 1.567 20 5 FDBDLN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCc1nc(-c2ccccc2)n[nH]1 ZINC000823625434 606706294 /nfs/dbraw/zinc/70/62/94/606706294.db2.gz VCIFBYSNGLXQFS-UHFFFAOYSA-N 0 2 364.329 1.567 20 5 FDBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cn1 ZINC000078237890 671439091 /nfs/dbraw/zinc/43/90/91/671439091.db2.gz GAAUVEGSYATYKV-UHFFFAOYSA-N 0 2 358.351 1.686 20 5 FDBDLN Cc1csc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000280298932 675403090 /nfs/dbraw/zinc/40/30/90/675403090.db2.gz NIYNRYFLGFPKRP-UHFFFAOYSA-N 0 2 357.369 1.932 20 5 FDBDLN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 ZINC000371750683 677773021 /nfs/dbraw/zinc/77/30/21/677773021.db2.gz KDOCLTVOUZTFFM-HIFRSBDPSA-N 0 2 365.411 1.025 20 5 FDBDLN O=C(NC[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375877170 678189537 /nfs/dbraw/zinc/18/95/37/678189537.db2.gz VXOLLCAPJLJVGW-NHYWBVRUSA-N 0 2 350.371 1.598 20 5 FDBDLN COc1cncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000410366720 678891070 /nfs/dbraw/zinc/89/10/70/678891070.db2.gz QYUJDHSVGXRJLE-UHFFFAOYSA-N 0 2 368.371 1.203 20 5 FDBDLN CN(C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)S(C)(=O)=O ZINC000436815080 681732418 /nfs/dbraw/zinc/73/24/18/681732418.db2.gz MTZSICAHNSMRGI-NSHDSACASA-N 0 2 371.415 1.044 20 5 FDBDLN COC(=O)Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000475834983 685652699 /nfs/dbraw/zinc/65/26/99/685652699.db2.gz QUALHJAZFMMRDQ-UHFFFAOYSA-N 0 2 368.371 1.382 20 5 FDBDLN CCn1cc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c([N+](=O)[O-])n1 ZINC000479146297 685999103 /nfs/dbraw/zinc/99/91/03/685999103.db2.gz DTQJICITQHWKOM-UHFFFAOYSA-N 0 2 364.343 1.662 20 5 FDBDLN Nc1c(NS(=O)(=O)c2cnc3n2CCC3)cc(Cl)cc1[N+](=O)[O-] ZINC000596021625 694914481 /nfs/dbraw/zinc/91/44/81/694914481.db2.gz QTHOUEIJMRSFTC-UHFFFAOYSA-N 0 2 357.779 1.774 20 5 FDBDLN