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([O-])C1CC[NH+](Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000901481381 956321471 /nfs/dbraw/zinc/32/14/71/956321471.db2.gz UXVJCLCQPREQKN-UHFFFAOYSA-N 0 2 349.206 2.715 20 5 EFBDLN O=C([O-])/C=C\c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000844208485 979359099 /nfs/dbraw/zinc/35/90/99/979359099.db2.gz VMYMVJSMXFPZTK-XQRVVYSFSA-N 0 2 330.344 2.781 20 5 EFBDLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903608467 980989845 /nfs/dbraw/zinc/98/98/45/980989845.db2.gz ISQMNSBFAQSSLI-GJZGRUSLSA-N 0 2 327.340 2.780 20 5 EFBDLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903608467 980989851 /nfs/dbraw/zinc/98/98/51/980989851.db2.gz ISQMNSBFAQSSLI-GJZGRUSLSA-N 0 2 327.340 2.780 20 5 EFBDLN COc1ccsc1C[NH2+][C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599722353 991560735 /nfs/dbraw/zinc/56/07/35/991560735.db2.gz GNHBPOWINKOQAQ-OAHLLOKOSA-N 0 2 336.369 2.755 20 5 EFBDLN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001599501145 997122845 /nfs/dbraw/zinc/12/28/45/997122845.db2.gz IGTOCIZBLRVPOB-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001599501145 997122858 /nfs/dbraw/zinc/12/28/58/997122858.db2.gz IGTOCIZBLRVPOB-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC001602404104 1096223950 /nfs/dbraw/zinc/22/39/50/1096223950.db2.gz QNHOCLUXHPMIFZ-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC001602404104 1096223954 /nfs/dbraw/zinc/22/39/54/1096223954.db2.gz QNHOCLUXHPMIFZ-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192121 1096469680 /nfs/dbraw/zinc/46/96/80/1096469680.db2.gz YXZGVYUKKQBJQK-MEDUHNTESA-N 0 2 330.340 2.852 20 5 EFBDLN CCNc1cc(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC001605501189 1097139638 /nfs/dbraw/zinc/13/96/38/1097139638.db2.gz KILWAGOJEQKEEW-UHFFFAOYSA-N 0 2 330.344 2.661 20 5 EFBDLN O=C([O-])C1([NH2+]Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CCCCC1 ZINC001608576873 1097960054 /nfs/dbraw/zinc/96/00/54/1097960054.db2.gz MAKFBGQDXMQTEY-UHFFFAOYSA-N 0 2 346.343 2.522 20 5 EFBDLN O=C([O-])/C=C\c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC001608659661 1097979949 /nfs/dbraw/zinc/97/99/49/1097979949.db2.gz GHYMHMQFVOPWCD-SREVYHEPSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])/C=C\c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC001608659661 1097979954 /nfs/dbraw/zinc/97/99/54/1097979954.db2.gz GHYMHMQFVOPWCD-SREVYHEPSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC001608914530 1098069573 /nfs/dbraw/zinc/06/95/73/1098069573.db2.gz VTFDWKYOASXGPQ-HNNXBMFYSA-N 0 2 334.372 2.684 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC001608914530 1098069580 /nfs/dbraw/zinc/06/95/80/1098069580.db2.gz VTFDWKYOASXGPQ-HNNXBMFYSA-N 0 2 334.372 2.684 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001608914202 1098069607 /nfs/dbraw/zinc/06/96/07/1098069607.db2.gz FDKUXRZDIBCYHX-UHFFFAOYSA-N 0 2 328.324 2.557 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001608914202 1098069612 /nfs/dbraw/zinc/06/96/12/1098069612.db2.gz FDKUXRZDIBCYHX-UHFFFAOYSA-N 0 2 328.324 2.557 20 5 EFBDLN C[N@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001610122097 1098553389 /nfs/dbraw/zinc/55/33/89/1098553389.db2.gz LRBKRTQEMBFAKD-UHFFFAOYSA-N 0 2 348.330 2.829 20 5 EFBDLN C[N@@H+](Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)Cc1ccccc1F ZINC001610122097 1098553395 /nfs/dbraw/zinc/55/33/95/1098553395.db2.gz LRBKRTQEMBFAKD-UHFFFAOYSA-N 0 2 348.330 2.829 20 5 EFBDLN Cc1cc(C)c(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC001610454319 1098686605 /nfs/dbraw/zinc/68/66/05/1098686605.db2.gz RLZHXESWOFEMKD-UHFFFAOYSA-N 0 2 346.299 2.825 20 5 EFBDLN O=C(Nc1cccc(-c2n[nH]c3c2CCCC3)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840267901 1100960819 /nfs/dbraw/zinc/96/08/19/1100960819.db2.gz FNDADFASWUJGRR-UKRRQHHQSA-N 0 2 326.356 2.559 20 5 EFBDLN O=C(N[C@H]1COc2c1cccc2Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000366058127 303987966 /nfs/dbraw/zinc/98/79/66/303987966.db2.gz DOGJZAHHQMBUDL-NSHDSACASA-N 0 2 334.715 2.817 20 5 EFBDLN O=C(Nc1cccc2c1OCCC2=O)c1ccc([N+](=O)[O-])cc1O ZINC000372225856 304007434 /nfs/dbraw/zinc/00/74/34/304007434.db2.gz BZBFOKQBJMOMDW-UHFFFAOYSA-N 0 2 328.280 2.518 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(F)cc3)o2)[nH]1 ZINC000033471637 202263318 /nfs/dbraw/zinc/26/33/18/202263318.db2.gz NHOBTJZBVMSXED-ALCCZGGFSA-N 0 2 343.270 2.953 20 5 EFBDLN O=C(CCOCC(F)(F)C(F)F)Nc1cc([N+](=O)[O-])ccc1O ZINC000189795569 237258242 /nfs/dbraw/zinc/25/82/42/237258242.db2.gz IMXGTMSMORWCBT-UHFFFAOYSA-N 0 2 340.229 2.546 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055584041 201133905 /nfs/dbraw/zinc/13/39/05/201133905.db2.gz AXFIQCYABDWBAX-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000071826142 201171184 /nfs/dbraw/zinc/17/11/84/201171184.db2.gz AMUHRVBTPNOAMR-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000071826182 201171408 /nfs/dbraw/zinc/17/14/08/201171408.db2.gz VLRDGYWDJHBYMA-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159274361 239023488 /nfs/dbraw/zinc/02/34/88/239023488.db2.gz ALIBPGFNSRVVBQ-UHFFFAOYSA-N 0 2 331.115 2.593 20 5 EFBDLN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000159906006 239037173 /nfs/dbraw/zinc/03/71/73/239037173.db2.gz CORZKJOIMXYABC-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000191811316 239313979 /nfs/dbraw/zinc/31/39/79/239313979.db2.gz CDWMDEIGASVHJO-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000191901798 239371681 /nfs/dbraw/zinc/37/16/81/239371681.db2.gz VESKBXRSNJDKCL-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=C(NC[C@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000181995593 239527932 /nfs/dbraw/zinc/52/79/32/239527932.db2.gz CSMDTOAHHYEKNW-LLVKDONJSA-N 0 2 328.324 2.597 20 5 EFBDLN CCOc1ccc(NS(=O)(=O)c2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000192710475 240060944 /nfs/dbraw/zinc/06/09/44/240060944.db2.gz DYWRLCQKHGHREJ-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN Cc1csc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)n1 ZINC000075316870 203311881 /nfs/dbraw/zinc/31/18/81/203311881.db2.gz JORQPJSDHPUBGQ-CYBMUJFWSA-N 0 2 333.369 2.946 20 5 EFBDLN O=C(NCc1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076086842 203336835 /nfs/dbraw/zinc/33/68/35/203336835.db2.gz KIEAECARGOFONO-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000428669131 247519133 /nfs/dbraw/zinc/51/91/33/247519133.db2.gz JDOZHFQKYPXRML-LLVKDONJSA-N 0 2 349.293 2.709 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000266594354 248375820 /nfs/dbraw/zinc/37/58/20/248375820.db2.gz OOITUFWMRWEZNC-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436891600 249625146 /nfs/dbraw/zinc/62/51/46/249625146.db2.gz XUPVNVOOTLVVHY-HOTGVXAUSA-N 0 2 342.351 2.985 20 5 EFBDLN C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(F)(F)F ZINC000439192768 249802323 /nfs/dbraw/zinc/80/23/23/249802323.db2.gz YIJOJRKAFWAPEB-LURJTMIESA-N 0 2 329.238 2.517 20 5 EFBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000442238175 250074433 /nfs/dbraw/zinc/07/44/33/250074433.db2.gz IEFNVWUNJNEVLZ-JTQLQIEISA-N 0 2 338.389 2.872 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2scnc2C2CC2)c1 ZINC000442246188 250075094 /nfs/dbraw/zinc/07/50/94/250075094.db2.gz ZKADZBVZBWTVMR-UHFFFAOYSA-N 0 2 325.371 2.730 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc(C(C)C)o2)c1 ZINC000444056460 250255124 /nfs/dbraw/zinc/25/51/24/250255124.db2.gz JHKRPYWLFJIUGU-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000354222581 146662496 /nfs/dbraw/zinc/66/24/96/146662496.db2.gz PHBRTWOWCIZGFB-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(N[C@H]1CCCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337589063 141618296 /nfs/dbraw/zinc/61/82/96/141618296.db2.gz BJVDVMSJIQJJEX-CABZTGNLSA-N 0 2 330.287 2.581 20 5 EFBDLN CC(C)Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(=O)[nH]1 ZINC000347734196 142264018 /nfs/dbraw/zinc/26/40/18/142264018.db2.gz LTVIUTKPAQGDDT-UHFFFAOYSA-N 0 2 331.328 2.852 20 5 EFBDLN C[C@@H](C(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000347847642 142281371 /nfs/dbraw/zinc/28/13/71/142281371.db2.gz OXEXNSWKUIRAKF-SECBINFHSA-N 0 2 330.319 2.565 20 5 EFBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000341204263 145012596 /nfs/dbraw/zinc/01/25/96/145012596.db2.gz JPKNASWCLYRYQX-JTQLQIEISA-N 0 2 344.396 2.803 20 5 EFBDLN CSc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000342639370 145164276 /nfs/dbraw/zinc/16/42/76/145164276.db2.gz OQCQTCRTKJLLAW-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000350685801 146080145 /nfs/dbraw/zinc/08/01/45/146080145.db2.gz SRIJXZGFTQLWPR-UHFFFAOYSA-N 0 2 338.389 2.626 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(F)cn2)c1 ZINC000351608933 146157856 /nfs/dbraw/zinc/15/78/56/146157856.db2.gz JJMJIKKQVQTYFG-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000351619061 146159540 /nfs/dbraw/zinc/15/95/40/146159540.db2.gz JIGLKLKDQISYSU-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccnn2C(C)C)c1 ZINC000351621894 146161266 /nfs/dbraw/zinc/16/12/66/146161266.db2.gz RDERYYTXDXBEDG-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCC(F)F)cc2)[nH]1 ZINC000352020822 146266906 /nfs/dbraw/zinc/26/69/06/146266906.db2.gz LDHUEBUNSLUTJJ-UTCJRWHESA-N 0 2 339.254 2.610 20 5 EFBDLN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000355661394 147027350 /nfs/dbraw/zinc/02/73/50/147027350.db2.gz XVAOVZAKDJIJMM-UHFFFAOYSA-N 0 2 345.142 2.751 20 5 EFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000355891020 147092670 /nfs/dbraw/zinc/09/26/70/147092670.db2.gz XFTBJJZRRRGPSS-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1 ZINC000355996990 147118809 /nfs/dbraw/zinc/11/88/09/147118809.db2.gz JBQHMMOUPOIVFI-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN COc1ccc2c(c1)C=C(C(=O)Nc1cc([N+](=O)[O-])ccc1O)CO2 ZINC000356274012 147196975 /nfs/dbraw/zinc/19/69/75/147196975.db2.gz CLFABTXHIKTBNQ-UHFFFAOYSA-N 0 2 342.307 2.724 20 5 EFBDLN CN(C)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000356299228 147203955 /nfs/dbraw/zinc/20/39/55/147203955.db2.gz TXDYLXJVVIXJAI-UHFFFAOYSA-N 0 2 344.327 2.646 20 5 EFBDLN Cc1nn(CC(F)(F)F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356299317 147204222 /nfs/dbraw/zinc/20/42/22/147204222.db2.gz UMHKIDWWPBCHOJ-UHFFFAOYSA-N 0 2 344.249 2.620 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1F ZINC000356808853 147341661 /nfs/dbraw/zinc/34/16/61/147341661.db2.gz LMNIQGNFBVPKQK-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)[C@@H]1OC ZINC000356973075 147387275 /nfs/dbraw/zinc/38/72/75/147387275.db2.gz HRLAJOLODKRMMG-KMUNFCNLSA-N 0 2 336.388 2.870 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000357339320 147497970 /nfs/dbraw/zinc/49/79/70/147497970.db2.gz GQECYGNZYPINRO-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000359150354 148008690 /nfs/dbraw/zinc/00/86/90/148008690.db2.gz PXHHEXIGFRNXMW-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc2c(cn1)CCCC2 ZINC000359471564 148094181 /nfs/dbraw/zinc/09/41/81/148094181.db2.gz MWZUQGYZYAEMLC-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000359638820 148147633 /nfs/dbraw/zinc/14/76/33/148147633.db2.gz MUPFTYXRYWLVFG-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1noc2ncc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])cc12 ZINC000360240482 148308504 /nfs/dbraw/zinc/30/85/04/148308504.db2.gz VHXLRWQYDNTNOG-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN CCC(=O)N1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000365111504 149318217 /nfs/dbraw/zinc/31/82/17/149318217.db2.gz CVQCWYZIDKFVHQ-UHFFFAOYSA-N 0 2 349.431 2.826 20 5 EFBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000370470321 150599860 /nfs/dbraw/zinc/59/98/60/150599860.db2.gz QYHFNDVFLNJEAP-ZWNOBZJWSA-N 0 2 328.324 2.595 20 5 EFBDLN O=C(NCc1ncoc1-c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000378098628 152008205 /nfs/dbraw/zinc/00/82/05/152008205.db2.gz ZDIWGLRSEGTKSB-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=C(NCc1cccc(N2CC=CC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000186905199 265080200 /nfs/dbraw/zinc/08/02/00/265080200.db2.gz FCWGJBSTFMCJDD-UHFFFAOYSA-N 0 2 339.351 2.607 20 5 EFBDLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000187717039 265114695 /nfs/dbraw/zinc/11/46/95/265114695.db2.gz LRNDDWBMHNSAFU-JTQLQIEISA-N 0 2 336.373 2.563 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc(C(C)C)o2)cc1[N+](=O)[O-] ZINC000191917679 265282051 /nfs/dbraw/zinc/28/20/51/265282051.db2.gz AERDUAUOURDOPS-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c([nH]c1=O)CCCCC2 ZINC000271650970 266031918 /nfs/dbraw/zinc/03/19/18/266031918.db2.gz ZPEHQTBRJVDLCU-UHFFFAOYSA-N 0 2 343.339 2.922 20 5 EFBDLN CC(C)(NC(=O)C(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000277659978 267225878 /nfs/dbraw/zinc/22/58/78/267225878.db2.gz TWSXWKHEPRJLHH-UHFFFAOYSA-N 0 2 344.249 2.558 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000279938730 273271949 /nfs/dbraw/zinc/27/19/49/273271949.db2.gz XGNXRJQHGPQMRB-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000281189538 273409473 /nfs/dbraw/zinc/40/94/73/273409473.db2.gz AJBWNTVVNXGFCT-UJDVCPFMSA-N 0 2 348.399 2.702 20 5 EFBDLN CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000281448483 273436278 /nfs/dbraw/zinc/43/62/78/273436278.db2.gz BHORUQFXKOXJEM-CYBMUJFWSA-N 0 2 344.371 2.884 20 5 EFBDLN O=C(NCCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000064054580 292679750 /nfs/dbraw/zinc/67/97/50/292679750.db2.gz PLQKKDSKVHKTNH-UHFFFAOYSA-N 0 2 334.303 2.638 20 5 EFBDLN CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000377216113 288728021 /nfs/dbraw/zinc/72/80/21/288728021.db2.gz RVRWVQKLQDJTPI-AWEZNQCLSA-N 0 2 344.371 2.884 20 5 EFBDLN CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccc(F)cc21 ZINC000180091552 290031138 /nfs/dbraw/zinc/03/11/38/290031138.db2.gz SDGNNRCKCGKOPK-UHFFFAOYSA-N 0 2 331.303 2.536 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000128680665 293111643 /nfs/dbraw/zinc/11/16/43/293111643.db2.gz VWYYTUUPDNQPGI-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccc([N+](=O)[O-])cc1F ZINC000131634397 293203149 /nfs/dbraw/zinc/20/31/49/293203149.db2.gz LLUCYAYYOYHPRS-UHFFFAOYSA-N 0 2 348.359 2.664 20 5 EFBDLN CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000132378882 293225864 /nfs/dbraw/zinc/22/58/64/293225864.db2.gz ADYZJKUVXLVTBS-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1cccnc1 ZINC000293667803 295023491 /nfs/dbraw/zinc/02/34/91/295023491.db2.gz GESJYHDHHZPHSY-OAHLLOKOSA-N 0 2 327.340 2.919 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccncc1 ZINC000293813690 295055261 /nfs/dbraw/zinc/05/52/61/295055261.db2.gz HBVIOFWHOCDMGL-OAHLLOKOSA-N 0 2 327.340 2.919 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccncc1 ZINC000294031940 295101202 /nfs/dbraw/zinc/10/12/02/295101202.db2.gz URJNFCRGKXSYCK-OAHLLOKOSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1OCCc2sccc21 ZINC000294276814 295139736 /nfs/dbraw/zinc/13/97/36/295139736.db2.gz QEEGOXHOCNQBCO-RFAUZJTJSA-N 0 2 348.380 2.794 20 5 EFBDLN O=C(Nc1ncc(C2CCOCC2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000296265015 295449944 /nfs/dbraw/zinc/44/99/44/295449944.db2.gz XNGGEFVNJRPKJZ-UHFFFAOYSA-N 0 2 349.368 2.903 20 5 EFBDLN C[C@@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000373484639 297168410 /nfs/dbraw/zinc/16/84/10/297168410.db2.gz YHBPVBNCJZXECW-LLVKDONJSA-N 0 2 328.324 2.724 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2ccncc2)CC1 ZINC000192278366 304532122 /nfs/dbraw/zinc/53/21/22/304532122.db2.gz ZCVSIHSMHFSJIG-UHFFFAOYSA-N 0 2 327.340 2.715 20 5 EFBDLN C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)OCCc2sccc21 ZINC000436800569 297898672 /nfs/dbraw/zinc/89/86/72/297898672.db2.gz WHDQGPOEBREMBU-INIZCTEOSA-N 0 2 348.380 2.580 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436744788 300646967 /nfs/dbraw/zinc/64/69/67/300646967.db2.gz PSHNOUJRRUSXSX-GLEZIHRCSA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2)n[nH]1 ZINC000101666150 302464315 /nfs/dbraw/zinc/46/43/15/302464315.db2.gz COPJAQIEGFWATG-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN O=C(N[C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000158231970 303821189 /nfs/dbraw/zinc/82/11/89/303821189.db2.gz WUIFVBDWQXSSBQ-HNNXBMFYSA-N 0 2 330.340 2.544 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc([C@@H]3COc4ccccc4O3)no2)cc1O ZINC000350861784 304801583 /nfs/dbraw/zinc/80/15/83/304801583.db2.gz GHEKMYFMOYVQAS-AWEZNQCLSA-N 0 2 341.279 2.863 20 5 EFBDLN Cc1cc([N+](=O)[O-])cnc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000302232014 311186580 /nfs/dbraw/zinc/18/65/80/311186580.db2.gz CJAURZGMELZPSQ-UHFFFAOYSA-N 0 2 340.343 2.607 20 5 EFBDLN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)ccc1O ZINC000350566595 311806880 /nfs/dbraw/zinc/80/68/80/311806880.db2.gz KNIFVUQMHFRWFO-UHFFFAOYSA-N 0 2 329.268 2.732 20 5 EFBDLN CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC12CCOCC2 ZINC000412759312 312009004 /nfs/dbraw/zinc/00/90/04/312009004.db2.gz SXYWLHHRFHWSRU-OAHLLOKOSA-N 0 2 334.372 2.578 20 5 EFBDLN COc1cccc([C@@H]2C[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000412877620 312028713 /nfs/dbraw/zinc/02/87/13/312028713.db2.gz ROSAUJVZPATDJG-ZFWWWQNUSA-N 0 2 342.351 2.843 20 5 EFBDLN Cc1[nH]nc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1[N+](=O)[O-] ZINC000436970396 312604220 /nfs/dbraw/zinc/60/42/20/312604220.db2.gz DJOOCDYRUZWZQP-UHFFFAOYSA-N 0 2 331.115 2.891 20 5 EFBDLN COc1ccc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000436983116 312606202 /nfs/dbraw/zinc/60/62/02/312606202.db2.gz CGOXNMDSRVUVRQ-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN COc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000437006225 312609219 /nfs/dbraw/zinc/60/92/19/312609219.db2.gz ZTSUFNWCCIEKSL-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000490713219 313669943 /nfs/dbraw/zinc/66/99/43/313669943.db2.gz JIAQZBKZHKRWBN-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN COc1ccc(/C=C/C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000492650496 314071521 /nfs/dbraw/zinc/07/15/21/314071521.db2.gz NOYBVWDKZQMFKX-XBXARRHUSA-N 0 2 344.323 2.970 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000493280308 314301653 /nfs/dbraw/zinc/30/16/53/314301653.db2.gz LSUMXHFBNFISFW-UHFFFAOYSA-N 0 2 338.389 2.606 20 5 EFBDLN CCc1[nH]nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000493280308 314301656 /nfs/dbraw/zinc/30/16/56/314301656.db2.gz LSUMXHFBNFISFW-UHFFFAOYSA-N 0 2 338.389 2.606 20 5 EFBDLN Cc1cccc(CCCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])[nH+]1 ZINC000519712074 315900867 /nfs/dbraw/zinc/90/08/67/315900867.db2.gz XRPJNSDASKVOAP-UHFFFAOYSA-N 0 2 329.356 2.970 20 5 EFBDLN Cn1ccc2c1cccc2NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000524018646 316144519 /nfs/dbraw/zinc/14/45/19/316144519.db2.gz KYBDXANZKRUCLU-UHFFFAOYSA-N 0 2 331.353 2.887 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2noc(C(C)C)n2)c1C ZINC000538695702 317702251 /nfs/dbraw/zinc/70/22/51/317702251.db2.gz NIHAZTVLPNIQOS-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN CCOC(=O)c1ccnc(Nc2cc(C)n([C@@H](C)CC)n2)c1[N+](=O)[O-] ZINC000540495362 317745645 /nfs/dbraw/zinc/74/56/45/317745645.db2.gz VONASHFKBMRQNG-JTQLQIEISA-N 0 2 347.375 2.808 20 5 EFBDLN O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000541719751 317786915 /nfs/dbraw/zinc/78/69/15/317786915.db2.gz JDTZMEBYLXSOHH-UHFFFAOYSA-N 0 2 336.687 2.935 20 5 EFBDLN CCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000547794051 318042783 /nfs/dbraw/zinc/04/27/83/318042783.db2.gz WEMWCRNVMFYPCA-UHFFFAOYSA-N 0 2 343.339 2.579 20 5 EFBDLN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000548120682 318075775 /nfs/dbraw/zinc/07/57/75/318075775.db2.gz CFJURLCXSKPWAC-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000566856275 319116614 /nfs/dbraw/zinc/11/66/14/319116614.db2.gz XPXDGUXVSULJGB-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000572367437 319663165 /nfs/dbraw/zinc/66/31/65/319663165.db2.gz ZZOLIAIDAUXJPF-CQSZACIVSA-N 0 2 343.339 2.654 20 5 EFBDLN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])o3)s2)cc1 ZINC000020462226 323211502 /nfs/dbraw/zinc/21/15/02/323211502.db2.gz ODWJVGLABBJMOO-UHFFFAOYSA-N 0 2 346.324 2.967 20 5 EFBDLN CN(Cc1cccc([N+](=O)[O-])c1)Cc1nc(=O)c2sccc2[nH]1 ZINC000026738388 323212790 /nfs/dbraw/zinc/21/27/90/323212790.db2.gz MLDFUHRGWFPFTN-UHFFFAOYSA-N 0 2 330.369 2.937 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000183142727 323319112 /nfs/dbraw/zinc/31/91/12/323319112.db2.gz BHKDWFZZNLBTLW-UHFFFAOYSA-N 0 2 326.330 2.614 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1coc(Br)c1 ZINC000183906055 323350708 /nfs/dbraw/zinc/35/07/08/323350708.db2.gz ADTKRIOGRPUJOE-UHFFFAOYSA-N 0 2 327.090 2.908 20 5 EFBDLN Cc1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)oc1C(=O)[O-] ZINC000580097805 324098704 /nfs/dbraw/zinc/09/87/04/324098704.db2.gz BMRFAGBSIPIWNP-UHFFFAOYSA-N 0 2 332.312 2.589 20 5 EFBDLN Cc1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)oc1C(=O)[O-] ZINC000580097805 324098707 /nfs/dbraw/zinc/09/87/07/324098707.db2.gz BMRFAGBSIPIWNP-UHFFFAOYSA-N 0 2 332.312 2.589 20 5 EFBDLN O=C([O-])[C@@H](c1ccsc1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580098008 324098720 /nfs/dbraw/zinc/09/87/20/324098720.db2.gz UQZQAHOKINLVFL-CQSZACIVSA-N 0 2 334.353 2.677 20 5 EFBDLN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580098008 324098722 /nfs/dbraw/zinc/09/87/22/324098722.db2.gz UQZQAHOKINLVFL-CQSZACIVSA-N 0 2 334.353 2.677 20 5 EFBDLN Cc1cc(NC(=O)c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)no1 ZINC000612936625 449947223 /nfs/dbraw/zinc/94/72/23/449947223.db2.gz OUIHKWRAESZXJS-UHFFFAOYSA-N 0 2 329.272 2.502 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000074174300 462565421 /nfs/dbraw/zinc/56/54/21/462565421.db2.gz XBKNDTJBZUJZPA-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN Cn1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2cc(F)ccc21 ZINC000075361221 462711349 /nfs/dbraw/zinc/71/13/49/462711349.db2.gz WHEGHENXAGDBBF-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000079224979 463199376 /nfs/dbraw/zinc/19/93/76/463199376.db2.gz NDBAYJVAUZFEOG-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185104975 473328918 /nfs/dbraw/zinc/32/89/18/473328918.db2.gz TVTBLJYSDNNYEO-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](c2ccsc2)O1 ZINC000150868452 473371500 /nfs/dbraw/zinc/37/15/00/473371500.db2.gz WIHOTYRXFLBTMZ-MEBBXXQBSA-N 0 2 348.380 2.964 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000083956019 473377679 /nfs/dbraw/zinc/37/76/79/473377679.db2.gz STPFNZLWBLTTRY-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN C[C@@H](CCCc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000457922433 477258496 /nfs/dbraw/zinc/25/84/96/477258496.db2.gz HAVMRQOKYHQOHF-LBPRGKRZSA-N 0 2 329.356 2.837 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000014256198 471867031 /nfs/dbraw/zinc/86/70/31/471867031.db2.gz PFBSTUSDBMBZHB-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000014256235 471867201 /nfs/dbraw/zinc/86/72/01/471867201.db2.gz GZBDJEOXEWNEMP-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022068176 472010059 /nfs/dbraw/zinc/01/00/59/472010059.db2.gz SNJVSJPCSSJAPV-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN CCCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000040945853 472042114 /nfs/dbraw/zinc/04/21/14/472042114.db2.gz IGHRQKWAMMKNPV-UHFFFAOYSA-N 0 2 342.402 2.590 20 5 EFBDLN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000025309116 472089922 /nfs/dbraw/zinc/08/99/22/472089922.db2.gz RILVWOQMULRXNR-MRXNPFEDSA-N 0 2 343.339 2.513 20 5 EFBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000084406857 472176910 /nfs/dbraw/zinc/17/69/10/472176910.db2.gz XDHJLUVGLLZMMG-OAHLLOKOSA-N 0 2 334.303 2.557 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000055546116 472201899 /nfs/dbraw/zinc/20/18/99/472201899.db2.gz RKQIKNNELSFHLK-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000055558300 472204343 /nfs/dbraw/zinc/20/43/43/472204343.db2.gz LXCRLVCHXAOXNN-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000055619157 472212944 /nfs/dbraw/zinc/21/29/44/472212944.db2.gz RSMLVWVDEYTGKQ-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000055632824 472214065 /nfs/dbraw/zinc/21/40/65/472214065.db2.gz WGONDFCBLWGLHO-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000029816843 472297779 /nfs/dbraw/zinc/29/77/79/472297779.db2.gz KRYYCAOJOLWRKO-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031136993 472364421 /nfs/dbraw/zinc/36/44/21/472364421.db2.gz AVABQRDZUJFIEN-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000057119578 472382899 /nfs/dbraw/zinc/38/28/99/472382899.db2.gz RIZZXWAESGIIAU-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CN(CCCOc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000032064666 472412785 /nfs/dbraw/zinc/41/27/85/472412785.db2.gz FHLZKGCHVIMCNC-UHFFFAOYSA-N 0 2 348.330 2.981 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000119109164 472527819 /nfs/dbraw/zinc/52/78/19/472527819.db2.gz LJTLSWCZDMRWQV-UHFFFAOYSA-N 0 2 330.391 2.543 20 5 EFBDLN Cc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000119683879 472574272 /nfs/dbraw/zinc/57/42/72/472574272.db2.gz IDGNBIGMFQXDRY-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000119796887 472583204 /nfs/dbraw/zinc/58/32/04/472583204.db2.gz PDONWEGNFZJSPL-UHFFFAOYSA-N 0 2 330.344 2.944 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1n[nH]c2ccccc21 ZINC000103202039 472617113 /nfs/dbraw/zinc/61/71/13/472617113.db2.gz FDNIMNQFXFTVDC-UHFFFAOYSA-N 0 2 349.310 2.509 20 5 EFBDLN Cc1nc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000103522651 472640408 /nfs/dbraw/zinc/64/04/08/472640408.db2.gz DWEOWLLGOJCXAV-UHFFFAOYSA-N 0 2 344.356 2.706 20 5 EFBDLN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)n[nH]1 ZINC000130966053 472641509 /nfs/dbraw/zinc/64/15/09/472641509.db2.gz OMDKXGWEXIONHX-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC000072292259 472652453 /nfs/dbraw/zinc/65/24/53/472652453.db2.gz OTFWJSVKUJDFBK-TZMCWYRMSA-N 0 2 334.303 2.626 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])s1 ZINC000060498726 472662890 /nfs/dbraw/zinc/66/28/90/472662890.db2.gz DDCXGJVEPZDYDY-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CC(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000047312916 472687818 /nfs/dbraw/zinc/68/78/18/472687818.db2.gz YPVMQLOPGRWYCG-UHFFFAOYSA-N 0 2 334.353 2.907 20 5 EFBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]c1C(F)(F)F ZINC000064039189 472832492 /nfs/dbraw/zinc/83/24/92/472832492.db2.gz PKFQTSFEZZDXFV-UHFFFAOYSA-N 0 2 330.222 2.603 20 5 EFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cnc2ccccc21 ZINC000092546240 472931814 /nfs/dbraw/zinc/93/18/14/472931814.db2.gz CWYBBQPKFAPTBZ-SNVBAGLBSA-N 0 2 326.312 2.850 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc([C@H]2CCCO2)n1 ZINC000092547525 472933320 /nfs/dbraw/zinc/93/33/20/472933320.db2.gz LHUYPEAQAGTMLQ-GFCCVEGCSA-N 0 2 335.341 2.861 20 5 EFBDLN C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NC(=O)C1CCCCC1 ZINC000092547359 472933975 /nfs/dbraw/zinc/93/39/75/472933975.db2.gz AEOBGFYOLFIUJD-LLVKDONJSA-N 0 2 349.387 2.714 20 5 EFBDLN CC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158544905 472945580 /nfs/dbraw/zinc/94/55/80/472945580.db2.gz VMTRZHMHSCZGFS-UHFFFAOYSA-N 0 2 334.353 2.907 20 5 EFBDLN COCc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158591754 472951005 /nfs/dbraw/zinc/95/10/05/472951005.db2.gz DVMFMUDGIQLQDF-UHFFFAOYSA-N 0 2 336.369 2.850 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000134759540 472963484 /nfs/dbraw/zinc/96/34/84/472963484.db2.gz BOBVYWYTHRIQRS-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000134777572 472965355 /nfs/dbraw/zinc/96/53/55/472965355.db2.gz OKHQKWGSXUUWEI-UHFFFAOYSA-N 0 2 334.353 2.907 20 5 EFBDLN O=C(C[C@H]1OCCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000135340542 473059355 /nfs/dbraw/zinc/05/93/55/473059355.db2.gz JIKMVLOHGWUQGO-MRXNPFEDSA-N 0 2 328.324 2.943 20 5 EFBDLN O=C(NC[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000108900606 473064108 /nfs/dbraw/zinc/06/41/08/473064108.db2.gz DDBNIMJJOBCCSS-LBPRGKRZSA-N 0 2 328.324 2.597 20 5 EFBDLN Cc1ccccc1O[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075161974 473143602 /nfs/dbraw/zinc/14/36/02/473143602.db2.gz KAMDPTCPOONLKZ-GFCCVEGCSA-N 0 2 330.340 2.806 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000093930674 473164079 /nfs/dbraw/zinc/16/40/79/473164079.db2.gz BYJUEYOKAHMTQE-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CN(CCN(C)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185615360 473468757 /nfs/dbraw/zinc/46/87/57/473468757.db2.gz BGMWPZLFBJVVRF-UHFFFAOYSA-N 0 2 329.356 2.509 20 5 EFBDLN Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000164280354 473484470 /nfs/dbraw/zinc/48/44/70/473484470.db2.gz AIYBPGRZDQWBDG-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000165152257 473507301 /nfs/dbraw/zinc/50/73/01/473507301.db2.gz XLDUHKUNWHNPJD-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000126446143 473517282 /nfs/dbraw/zinc/51/72/82/473517282.db2.gz NILVLAUZOOAWBD-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])cc1O ZINC000165901149 473518104 /nfs/dbraw/zinc/51/81/04/473518104.db2.gz VOOBECSITFVADF-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000191428971 473539310 /nfs/dbraw/zinc/53/93/10/473539310.db2.gz ACKXRKHESRPZRV-HNNXBMFYSA-N 0 2 344.367 2.630 20 5 EFBDLN CC(C)(C)OCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)no1 ZINC000186257994 473630398 /nfs/dbraw/zinc/63/03/98/473630398.db2.gz LJTJIRRGZMTGAY-UHFFFAOYSA-N 0 2 335.316 2.856 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2ccncc2)CC1 ZINC000192270900 473661553 /nfs/dbraw/zinc/66/15/53/473661553.db2.gz WFQBXPYIZAIRKW-UHFFFAOYSA-N 0 2 327.340 2.715 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186430012 473673402 /nfs/dbraw/zinc/67/34/02/473673402.db2.gz QTTZTSBTHUTQSF-SFHVURJKSA-N 0 2 340.335 2.572 20 5 EFBDLN O=C(NCc1cc(-c2ccccc2)on1)c1cc([N+](=O)[O-])ccc1O ZINC000179470704 473689376 /nfs/dbraw/zinc/68/93/76/473689376.db2.gz UIXOOGPYYHBECW-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2n1C ZINC000179508310 473691318 /nfs/dbraw/zinc/69/13/18/473691318.db2.gz DSWOZKODRDBRLH-SNVBAGLBSA-N 0 2 340.339 2.678 20 5 EFBDLN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179544209 473693279 /nfs/dbraw/zinc/69/32/79/473693279.db2.gz ZSFKSGBGPBUGCX-NSHDSACASA-N 0 2 328.324 2.692 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1ccccc1F ZINC000186631254 473707462 /nfs/dbraw/zinc/70/74/62/473707462.db2.gz OCBIYURQQCRJSZ-UHFFFAOYSA-N 0 2 340.332 2.684 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245517212 473714745 /nfs/dbraw/zinc/71/47/45/473714745.db2.gz GWEQRNSGQZEIMN-CVEARBPZSA-N 0 2 333.432 2.618 20 5 EFBDLN CCn1ccnc1[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000281479298 473734060 /nfs/dbraw/zinc/73/40/60/473734060.db2.gz CYRBJSYHORPLHT-AWEZNQCLSA-N 0 2 344.371 2.884 20 5 EFBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(F)c(O)c(F)c1 ZINC000186966342 473789550 /nfs/dbraw/zinc/78/95/50/473789550.db2.gz ODSVSUPEZLCGKC-UHFFFAOYSA-N 0 2 334.238 2.707 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccc(F)cc2O1 ZINC000187208948 473836972 /nfs/dbraw/zinc/83/69/72/473836972.db2.gz JAPKLAYVYWEJMD-SECBINFHSA-N 0 2 332.287 2.867 20 5 EFBDLN CCc1cccnc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000269682891 473860927 /nfs/dbraw/zinc/86/09/27/473860927.db2.gz FYYTVQWHVFXPCF-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187356431 473861959 /nfs/dbraw/zinc/86/19/59/473861959.db2.gz HDMLIURWQYDKMC-ABAIWWIYSA-N 0 2 327.340 2.919 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(c2ccccc2)CC1 ZINC000194411097 473893182 /nfs/dbraw/zinc/89/31/82/473893182.db2.gz FDVKNCVAIOLKJB-UHFFFAOYSA-N 0 2 341.367 2.653 20 5 EFBDLN CC1=C(Br)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000281947972 473893525 /nfs/dbraw/zinc/89/35/25/473893525.db2.gz WZMUCRFDKQJKOS-UHFFFAOYSA-N 0 2 341.161 2.815 20 5 EFBDLN Cc1nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])sc1C ZINC000180804920 473969348 /nfs/dbraw/zinc/96/93/48/473969348.db2.gz YTZXFGKLLUJOJZ-UHFFFAOYSA-N 0 2 327.387 2.610 20 5 EFBDLN CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274849776 473988199 /nfs/dbraw/zinc/98/81/99/473988199.db2.gz HHIGMGVJACFXHR-QGZVFWFLSA-N 0 2 342.351 2.686 20 5 EFBDLN O=C(NC[C@@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000181995579 474077095 /nfs/dbraw/zinc/07/70/95/474077095.db2.gz CSMDTOAHHYEKNW-NSHDSACASA-N 0 2 328.324 2.597 20 5 EFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](c2ccsc2)O1 ZINC000182107079 474100753 /nfs/dbraw/zinc/10/07/53/474100753.db2.gz ARNKDNOZAFPRCG-MEBBXXQBSA-N 0 2 348.380 2.964 20 5 EFBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C12CCC2 ZINC000182121329 474103237 /nfs/dbraw/zinc/10/32/37/474103237.db2.gz RKCYRBYEYMNGPT-LSDHHAIUSA-N 0 2 334.372 2.720 20 5 EFBDLN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182138530 474108646 /nfs/dbraw/zinc/10/86/46/474108646.db2.gz QOLUMZVUMVLJDK-OAHLLOKOSA-N 0 2 344.367 2.714 20 5 EFBDLN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182150627 474109346 /nfs/dbraw/zinc/10/93/46/474109346.db2.gz RUAAEZCOMJAOAB-TVQRCGJNSA-N 0 2 336.369 2.604 20 5 EFBDLN Cc1cc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000175262469 474175053 /nfs/dbraw/zinc/17/50/53/474175053.db2.gz ZOVSLAJJJSSHCT-UHFFFAOYSA-N 0 2 327.300 2.842 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc3n[nH]cc32)c1[N+](=O)[O-] ZINC000189264460 474341208 /nfs/dbraw/zinc/34/12/08/474341208.db2.gz OIXZNWMBBQHSEU-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183450183 474381133 /nfs/dbraw/zinc/38/11/33/474381133.db2.gz SVEKROSHSVRWEO-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(Nc1cccnc1OCC(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183609550 474399589 /nfs/dbraw/zinc/39/95/89/474399589.db2.gz WQLZTYWMDUWPAH-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN CCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000184228809 474487776 /nfs/dbraw/zinc/48/77/76/474487776.db2.gz MDTXUYNLMZTLFF-UHFFFAOYSA-N 0 2 326.312 2.922 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000271359617 474509652 /nfs/dbraw/zinc/50/96/52/474509652.db2.gz NDWRGSWLLCBXPG-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN COc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000189932749 474510594 /nfs/dbraw/zinc/51/05/94/474510594.db2.gz OQGATSGRTHFQCC-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184663882 474578299 /nfs/dbraw/zinc/57/82/99/474578299.db2.gz MEUULKFWKDVRCT-UHFFFAOYSA-N 0 2 343.339 2.611 20 5 EFBDLN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000184701965 474589372 /nfs/dbraw/zinc/58/93/72/474589372.db2.gz UDQPILCHZBGZKK-UHFFFAOYSA-N 0 2 340.339 2.539 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC2CCCC2)CC1 ZINC000184727182 474595142 /nfs/dbraw/zinc/59/51/42/474595142.db2.gz CGSWKVNLKBGMAM-UHFFFAOYSA-N 0 2 334.372 2.864 20 5 EFBDLN O=C(NCc1cc(-c2ccccc2)on1)c1ccc([N+](=O)[O-])cc1O ZINC000184733311 474597330 /nfs/dbraw/zinc/59/73/30/474597330.db2.gz ZRMVDWZYYKBTCM-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(Cc2cccnc2)CC1 ZINC000253430636 474756730 /nfs/dbraw/zinc/75/67/30/474756730.db2.gz XGCHQQBUTOETTO-UHFFFAOYSA-N 0 2 341.367 2.790 20 5 EFBDLN Cn1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2ccc(F)cc21 ZINC000344905434 474808991 /nfs/dbraw/zinc/80/89/91/474808991.db2.gz HMEGQFRJLWKEDV-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000609241016 480130987 /nfs/dbraw/zinc/13/09/87/480130987.db2.gz GXSBDCOQARSKAN-QGZVFWFLSA-N 0 2 342.351 2.904 20 5 EFBDLN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000339349113 475151746 /nfs/dbraw/zinc/15/17/46/475151746.db2.gz NYQQXWDOFZREHW-CYBMUJFWSA-N 0 2 328.324 2.813 20 5 EFBDLN CSc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000337747021 475292284 /nfs/dbraw/zinc/29/22/84/475292284.db2.gz DIJBKPZTCGVEJW-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN O=c1[nH]nc([C@@H]2CCCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000331852556 475432917 /nfs/dbraw/zinc/43/29/17/475432917.db2.gz DEMZBYAMLMCEPZ-NSHDSACASA-N 0 2 337.767 2.799 20 5 EFBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000358492123 475721170 /nfs/dbraw/zinc/72/11/70/475721170.db2.gz LWUYIOBZCCNWIC-JTQLQIEISA-N 0 2 336.373 2.699 20 5 EFBDLN Cc1c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2nn1C ZINC000355266666 475790087 /nfs/dbraw/zinc/79/00/87/475790087.db2.gz QZEBSQBLAKSIPA-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2cn[nH]c2cc1C ZINC000358797593 475946858 /nfs/dbraw/zinc/94/68/58/475946858.db2.gz IIRVAXFHZPZSBQ-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(C(C)C)n1 ZINC000358876624 476006245 /nfs/dbraw/zinc/00/62/45/476006245.db2.gz LOVHJJHOZCCXQE-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN COCCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000298341262 476062585 /nfs/dbraw/zinc/06/25/85/476062585.db2.gz DWKSHXJBMGRZAQ-UHFFFAOYSA-N 0 2 344.367 2.632 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000355834816 476063241 /nfs/dbraw/zinc/06/32/41/476063241.db2.gz CBNOGNFSCIMUFZ-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN Cc1cc(NCCCc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338679876 476107882 /nfs/dbraw/zinc/10/78/82/476107882.db2.gz ZTGRVKVNLOSMEM-UHFFFAOYSA-N 0 2 345.281 2.790 20 5 EFBDLN Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]c[nH+]c32)c([N+](=O)[O-])c1 ZINC000362321451 476169336 /nfs/dbraw/zinc/16/93/36/476169336.db2.gz SLUXGPXCYYMWIS-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CCc1ncc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000359111209 476197667 /nfs/dbraw/zinc/19/76/67/476197667.db2.gz ZZKXKEJYXOLINY-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCCO4)no2)cc1O ZINC000350600615 476262531 /nfs/dbraw/zinc/26/25/31/476262531.db2.gz VTWSSDNVWBENFV-UHFFFAOYSA-N 0 2 341.279 2.789 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4nccnc4c3)no2)cc1O ZINC000350648160 476280523 /nfs/dbraw/zinc/28/05/23/476280523.db2.gz VVKRQVVVCWLJJX-UHFFFAOYSA-N 0 2 335.279 2.961 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000353879468 476309939 /nfs/dbraw/zinc/30/99/39/476309939.db2.gz VJNYHQWQKZYIGS-UHFFFAOYSA-N 0 2 338.389 2.626 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000357329553 476333270 /nfs/dbraw/zinc/33/32/70/476333270.db2.gz CYSNEANNSRIDNL-UHFFFAOYSA-N 0 2 349.324 2.551 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000357339413 476337676 /nfs/dbraw/zinc/33/76/76/476337676.db2.gz GVQFUWOODVOQIA-UHFFFAOYSA-N 0 2 349.324 2.551 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000357521496 476428959 /nfs/dbraw/zinc/42/89/59/476428959.db2.gz LHXQFONIORLPHN-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000374058374 476451453 /nfs/dbraw/zinc/45/14/53/476451453.db2.gz RSVHUXQNRAFYMZ-CUBALJKWSA-N 0 2 348.399 2.702 20 5 EFBDLN COc1ccccc1O[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357651910 476514756 /nfs/dbraw/zinc/51/47/56/476514756.db2.gz INATZVKZAKNHER-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357667560 476527792 /nfs/dbraw/zinc/52/77/92/476527792.db2.gz DKSOIACXWFMDHU-GFCCVEGCSA-N 0 2 344.323 2.720 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccnn2CC(C)C)ccc1[N+](=O)[O-] ZINC000361003550 476537263 /nfs/dbraw/zinc/53/72/63/476537263.db2.gz UKYKMAVGTVMNFJ-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370063047 476653153 /nfs/dbraw/zinc/65/31/53/476653153.db2.gz OEOINPQUVZCSMT-CQSZACIVSA-N 0 2 330.388 2.587 20 5 EFBDLN COc1cccc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000354520724 476704319 /nfs/dbraw/zinc/70/43/19/476704319.db2.gz KCJRZJAARZZBIY-UHFFFAOYSA-N 0 2 328.324 2.979 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C3CC3)nn2)c1C ZINC000446948312 476935167 /nfs/dbraw/zinc/93/51/67/476935167.db2.gz ODXOJUDQYKNOHH-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN COc1ccc2c(c1)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)CC2 ZINC000431913759 477119156 /nfs/dbraw/zinc/11/91/56/477119156.db2.gz OGWRFZIBSBUHSO-ZDUSSCGKSA-N 0 2 328.324 2.978 20 5 EFBDLN COc1cc(NC(C)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000435972981 477401256 /nfs/dbraw/zinc/40/12/56/477401256.db2.gz DVSHLNSTXAQGNY-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000376580641 477414490 /nfs/dbraw/zinc/41/44/90/477414490.db2.gz LBQITQCLVHFTOQ-QWHCGFSZSA-N 0 2 334.372 2.579 20 5 EFBDLN COCCN(C[C@@H]1CC=CCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436598803 477529337 /nfs/dbraw/zinc/52/93/37/477529337.db2.gz AWHNBENVGDOWCN-CYBMUJFWSA-N 0 2 334.372 2.745 20 5 EFBDLN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436624744 477536376 /nfs/dbraw/zinc/53/63/76/477536376.db2.gz ACDLUBWQFKESQD-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436626811 477536430 /nfs/dbraw/zinc/53/64/30/477536430.db2.gz LHTGVCCUTSBPPU-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN CCC(=O)c1ccc(O)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000436651321 477546823 /nfs/dbraw/zinc/54/68/23/477546823.db2.gz DVDWHAXOWCVRTR-UHFFFAOYSA-N 0 2 330.296 2.851 20 5 EFBDLN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670679 477553113 /nfs/dbraw/zinc/55/31/13/477553113.db2.gz RXWLEUHCGQLNJB-NHYWBVRUSA-N 0 2 336.388 2.872 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc2n[nH]cc2c1 ZINC000436700588 477563702 /nfs/dbraw/zinc/56/37/02/477563702.db2.gz WSRDUBDKLVPRMA-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCSc2ccc(C(F)(F)F)cc21 ZINC000371955880 477573975 /nfs/dbraw/zinc/57/39/75/477573975.db2.gz BICLNZDRKPPFBG-RKDXNWHRSA-N 0 2 332.303 2.809 20 5 EFBDLN O=C(NCc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436748154 477579585 /nfs/dbraw/zinc/57/95/85/477579585.db2.gz QTHSSOAHJSIFRJ-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN CN(C)c1ccccc1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436779687 477586768 /nfs/dbraw/zinc/58/67/68/477586768.db2.gz MCFXGUHYUFCFSA-UHFFFAOYSA-N 0 2 329.356 2.639 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000436836251 477608042 /nfs/dbraw/zinc/60/80/42/477608042.db2.gz GTOPUNCBZWLUJP-UHFFFAOYSA-N 0 2 340.335 2.694 20 5 EFBDLN COc1ccc(C)cc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868905 477620476 /nfs/dbraw/zinc/62/04/76/477620476.db2.gz JBYRJXFGSIARPK-UHFFFAOYSA-N 0 2 330.340 2.590 20 5 EFBDLN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874325 477621783 /nfs/dbraw/zinc/62/17/83/477621783.db2.gz SUJBEVDWPSQBRQ-NHYWBVRUSA-N 0 2 336.388 2.872 20 5 EFBDLN CCOc1ccc(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436875150 477621849 /nfs/dbraw/zinc/62/18/49/477621849.db2.gz WVRBUKHUFMAEHB-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN COc1ccccc1O[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436875108 477622082 /nfs/dbraw/zinc/62/20/82/477622082.db2.gz WGOXNXQTMIKDEJ-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(NCCCOCCc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436887688 477625418 /nfs/dbraw/zinc/62/54/18/477625418.db2.gz YBZOZYQRXYOJNI-UHFFFAOYSA-N 0 2 344.367 2.680 20 5 EFBDLN O=C(NCc1cccc(-c2ncc[nH]2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436890514 477625493 /nfs/dbraw/zinc/62/54/93/477625493.db2.gz FMWCLQVUNSKHOC-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436891601 477628118 /nfs/dbraw/zinc/62/81/18/477628118.db2.gz XUPVNVOOTLVVHY-HZPDHXFCSA-N 0 2 342.351 2.985 20 5 EFBDLN O=C(NCC1(c2ccncc2)CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436891527 477628393 /nfs/dbraw/zinc/62/83/93/477628393.db2.gz JBZVOIJAAOBGGW-UHFFFAOYSA-N 0 2 341.367 2.937 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc([S@@](C)=O)cc1 ZINC000436900516 477629856 /nfs/dbraw/zinc/62/98/56/477629856.db2.gz NURADIXFBPAUBG-VKTRGTBVSA-N 0 2 348.380 2.529 20 5 EFBDLN O=C(NCC1(c2ccncc2)CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000436957541 477647175 /nfs/dbraw/zinc/64/71/75/477647175.db2.gz WGKAICKBSYSVPE-UHFFFAOYSA-N 0 2 341.367 2.937 20 5 EFBDLN CCOC(=O)Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436965098 477650524 /nfs/dbraw/zinc/65/05/24/477650524.db2.gz IAEQJMRUCCYWNE-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436965325 477650661 /nfs/dbraw/zinc/65/06/61/477650661.db2.gz JBKXNECQZDTVDD-SUMWQHHRSA-N 0 2 342.351 2.808 20 5 EFBDLN C[C@@H](COc1cccc(F)c1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436963635 477651545 /nfs/dbraw/zinc/65/15/45/477651545.db2.gz DTUHKIZIYFOZTO-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377117066 477652542 /nfs/dbraw/zinc/65/25/42/477652542.db2.gz ZXDYINVGHLYNNK-ANRSDYALSA-N 0 2 332.287 2.692 20 5 EFBDLN COc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436980484 477655899 /nfs/dbraw/zinc/65/58/99/477655899.db2.gz NVBJZEOPQPDERK-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN COc1c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)oc2ccccc21 ZINC000436983336 477656637 /nfs/dbraw/zinc/65/66/37/477656637.db2.gz WSKHRUAMBYJQOU-UHFFFAOYSA-N 0 2 342.307 2.985 20 5 EFBDLN O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436998673 477659482 /nfs/dbraw/zinc/65/94/82/477659482.db2.gz PPPPOHVOTGJUPX-CQSZACIVSA-N 0 2 328.324 2.813 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000372233420 477706310 /nfs/dbraw/zinc/70/63/10/477706310.db2.gz SJEUNCQNUHBWMH-CHWSQXEVSA-N 0 2 334.372 2.579 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC000451048697 477801481 /nfs/dbraw/zinc/80/14/81/477801481.db2.gz GNMZALFCZZQOER-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN CC(C)(NC(=O)c1cccc2[nH]nnc21)c1ccccc1[N+](=O)[O-] ZINC000557967350 477835496 /nfs/dbraw/zinc/83/54/96/477835496.db2.gz DIXDKHPVUVOEFY-UHFFFAOYSA-N 0 2 325.328 2.531 20 5 EFBDLN Cc1noc2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)cc12 ZINC000438776514 477883525 /nfs/dbraw/zinc/88/35/25/477883525.db2.gz SWYZKQMPTKDSSF-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN COc1ccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000440314138 478102896 /nfs/dbraw/zinc/10/28/96/478102896.db2.gz KGDKOFKLHJXGFC-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000495282270 478161860 /nfs/dbraw/zinc/16/18/60/478161860.db2.gz TZHGUIXQVLCBPT-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN COc1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1OC ZINC000537766223 478331127 /nfs/dbraw/zinc/33/11/27/478331127.db2.gz BNHHXLLJGCAUBM-UHFFFAOYSA-N 0 2 346.339 2.889 20 5 EFBDLN COC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000490692912 478371740 /nfs/dbraw/zinc/37/17/40/478371740.db2.gz WNPJTJYQYBLKQF-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000597605040 478429517 /nfs/dbraw/zinc/42/95/17/478429517.db2.gz TUNAHNQCQPJSTR-FVQBIDKESA-N 0 2 348.399 2.846 20 5 EFBDLN Cc1cc(NC[C@@H](C(=O)[O-])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594541735 478430698 /nfs/dbraw/zinc/43/06/98/478430698.db2.gz YMCGJNCRHAWASS-CQSZACIVSA-N 0 2 344.371 2.551 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000594729796 478517104 /nfs/dbraw/zinc/51/71/04/478517104.db2.gz CLHWCOPCJUKAMG-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN CCc1ccc(C)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000594728349 478517539 /nfs/dbraw/zinc/51/75/39/478517539.db2.gz CYAFNDTWZAWICE-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000582127466 478518160 /nfs/dbraw/zinc/51/81/60/478518160.db2.gz WCNBMVOFQKKLQG-UHFFFAOYSA-N 0 2 334.328 2.835 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000582127466 478518167 /nfs/dbraw/zinc/51/81/67/478518167.db2.gz WCNBMVOFQKKLQG-UHFFFAOYSA-N 0 2 334.328 2.835 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000594731429 478519030 /nfs/dbraw/zinc/51/90/30/478519030.db2.gz TXBGHCYGGXFIGM-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN COC(C)(C)c1nc(=NCc2ccc([N+](=O)[O-])cc2F)s[nH]1 ZINC000601070171 478641561 /nfs/dbraw/zinc/64/15/61/478641561.db2.gz ZJJAGHHSJFTKJX-UHFFFAOYSA-N 0 2 326.353 2.501 20 5 EFBDLN COc1ccc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000543553760 478752598 /nfs/dbraw/zinc/75/25/98/478752598.db2.gz WZTGSACLJUUNRZ-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN COc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000492312144 478924483 /nfs/dbraw/zinc/92/44/83/478924483.db2.gz KNNPMDXTYLYEAS-YWEYNIOJSA-N 0 2 344.323 2.970 20 5 EFBDLN Cc1cc(N2CC[C@H](C(=O)[O-])[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592982602 479116630 /nfs/dbraw/zinc/11/66/30/479116630.db2.gz JAGOYPPKWYLHCT-RISCZKNCSA-N 0 2 342.355 2.660 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2ccncc2)C1 ZINC000556858485 479228807 /nfs/dbraw/zinc/22/88/07/479228807.db2.gz QPTMOKFKXMNGPG-ZDUSSCGKSA-N 0 2 327.340 2.715 20 5 EFBDLN Cc1oc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C(=O)[O-] ZINC000574816695 479353625 /nfs/dbraw/zinc/35/36/25/479353625.db2.gz QPHGOIGDHHQXFR-UHFFFAOYSA-N 0 2 344.327 2.703 20 5 EFBDLN Cc1oc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C(=O)[O-] ZINC000574816695 479353629 /nfs/dbraw/zinc/35/36/29/479353629.db2.gz QPHGOIGDHHQXFR-UHFFFAOYSA-N 0 2 344.327 2.703 20 5 EFBDLN CC(C)(C)OC(=O)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611535742 479407834 /nfs/dbraw/zinc/40/78/34/479407834.db2.gz BVNDMNKVWKBVNS-UHFFFAOYSA-N 0 2 338.360 2.542 20 5 EFBDLN O=C(NCc1c(F)c(F)cc(F)c1F)c1cc([N+](=O)[O-])ccc1O ZINC000611535586 479408350 /nfs/dbraw/zinc/40/83/50/479408350.db2.gz APOILLFJFKALGB-UHFFFAOYSA-N 0 2 344.220 2.787 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000593735571 479438806 /nfs/dbraw/zinc/43/88/06/479438806.db2.gz QFZVOVZEDYNOSV-AWEZNQCLSA-N 0 2 348.380 2.928 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](c3cccs3)C2)c1 ZINC000593735571 479438810 /nfs/dbraw/zinc/43/88/10/479438810.db2.gz QFZVOVZEDYNOSV-AWEZNQCLSA-N 0 2 348.380 2.928 20 5 EFBDLN CC1(C)N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N(c2ccccc2)C1=O ZINC000602754009 479531217 /nfs/dbraw/zinc/53/12/17/479531217.db2.gz AFCIRWJTSJBWQA-HNNXBMFYSA-N 0 2 327.340 2.714 20 5 EFBDLN COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000612343416 479649504 /nfs/dbraw/zinc/64/95/04/479649504.db2.gz XZFPDXYCTOXPGX-AWEZNQCLSA-N 0 2 342.351 2.596 20 5 EFBDLN CC(C)(CO)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000619254991 479734366 /nfs/dbraw/zinc/73/43/66/479734366.db2.gz SDCUAXZSPVRIKM-MRXNPFEDSA-N 0 2 344.367 2.790 20 5 EFBDLN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613973551 480158790 /nfs/dbraw/zinc/15/87/90/480158790.db2.gz SVCDMJGTWNCPCG-CQSZACIVSA-N 0 2 344.323 2.563 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000613991360 480160784 /nfs/dbraw/zinc/16/07/84/480160784.db2.gz SICWDOQCXSFWPD-HNNXBMFYSA-N 0 2 328.324 2.983 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000609849060 480213177 /nfs/dbraw/zinc/21/31/77/480213177.db2.gz ZFLXYAFYXTWSOP-UHFFFAOYSA-N 0 2 338.389 2.725 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000614292167 480256876 /nfs/dbraw/zinc/25/68/76/480256876.db2.gz PIGLOIOBLXBRCJ-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN CN(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2o1 ZINC000150992339 522335193 /nfs/dbraw/zinc/33/51/93/522335193.db2.gz DVNNDQROMSLTEV-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN CCn1ncc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000195328506 523703108 /nfs/dbraw/zinc/70/31/08/523703108.db2.gz BFPQRQYDYYNEGJ-UHFFFAOYSA-N 0 2 346.368 2.765 20 5 EFBDLN COc1ccc(C)cc1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073067758 523808153 /nfs/dbraw/zinc/80/81/53/523808153.db2.gz BZRKFLIRVKWWNK-UHFFFAOYSA-N 0 2 330.340 2.590 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1cccc(F)c1 ZINC000075158776 524464901 /nfs/dbraw/zinc/46/49/01/524464901.db2.gz MPNFMMFWRABPJR-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN Cc1csc(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000159358537 534801426 /nfs/dbraw/zinc/80/14/26/534801426.db2.gz MWFSCDKIFCHSSG-UHFFFAOYSA-N 0 2 335.385 2.818 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F ZINC000181331803 524927178 /nfs/dbraw/zinc/92/71/78/524927178.db2.gz GWCYIEPRKIEZJR-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000075162267 525469334 /nfs/dbraw/zinc/46/93/34/525469334.db2.gz RDIASPZHPNBYKT-GFCCVEGCSA-N 0 2 330.340 2.806 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C)c1F ZINC000180463848 525469766 /nfs/dbraw/zinc/46/97/66/525469766.db2.gz PPSJYLXPMFRYFH-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000125111128 525572240 /nfs/dbraw/zinc/57/22/40/525572240.db2.gz XPATZJOLBIJPOM-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000152076151 526095669 /nfs/dbraw/zinc/09/56/69/526095669.db2.gz PZQPFYXDLAHFGR-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000060934577 526298973 /nfs/dbraw/zinc/29/89/73/526298973.db2.gz XLRATUKJQXCAGW-UHFFFAOYSA-N 0 2 347.805 2.544 20 5 EFBDLN O=C(NCCOc1ccccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000120417719 526364748 /nfs/dbraw/zinc/36/47/48/526364748.db2.gz NBXGFPPAFBMGPX-UHFFFAOYSA-N 0 2 336.731 2.763 20 5 EFBDLN O=C(NCc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065319924 526725479 /nfs/dbraw/zinc/72/54/79/526725479.db2.gz SPKVCQUDYATLNS-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN O=C(N[C@@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185775059 526855327 /nfs/dbraw/zinc/85/53/27/526855327.db2.gz JWMNGFSSXJSMNN-AWEZNQCLSA-N 0 2 330.340 2.544 20 5 EFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000181329915 527367250 /nfs/dbraw/zinc/36/72/50/527367250.db2.gz OTOMGYLQBVJGSP-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2cn[nH]c2)c1 ZINC000090166450 527405628 /nfs/dbraw/zinc/40/56/28/527405628.db2.gz YONFXCQXNMECHP-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000119541314 527405766 /nfs/dbraw/zinc/40/57/66/527405766.db2.gz ZPLMSMAVEGZKET-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cccn[nH]1 ZINC000343766286 535257535 /nfs/dbraw/zinc/25/75/35/535257535.db2.gz CLFSJJYYSGIZHK-UHFFFAOYSA-N 0 2 332.385 2.807 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)o1 ZINC000754266330 575412804 /nfs/dbraw/zinc/41/28/04/575412804.db2.gz VZDPIPAFYJZRHV-UHFFFAOYSA-N 0 2 331.737 2.654 20 5 EFBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]nc1C1CC1 ZINC000760320614 576004777 /nfs/dbraw/zinc/00/47/77/576004777.db2.gz CILGBQFJLFLXNC-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000765863517 577083979 /nfs/dbraw/zinc/08/39/79/577083979.db2.gz XLDGQCFSHXGHHZ-CYBMUJFWSA-N 0 2 344.371 2.885 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1 ZINC000768863413 577311413 /nfs/dbraw/zinc/31/14/13/577311413.db2.gz UVOXHORHBOVAMJ-UHFFFAOYSA-N 0 2 331.400 2.574 20 5 EFBDLN Cn1ccc2c1cccc2NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768880215 577313264 /nfs/dbraw/zinc/31/32/64/577313264.db2.gz ALWRWBCILUMEMQ-UHFFFAOYSA-N 0 2 337.382 2.949 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2n[nH]cc21 ZINC000768882207 577313519 /nfs/dbraw/zinc/31/35/19/577313519.db2.gz FYKGBLZGHIGZCJ-UHFFFAOYSA-N 0 2 338.370 2.642 20 5 EFBDLN O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000770856777 581142344 /nfs/dbraw/zinc/14/23/44/581142344.db2.gz MWWORMYVAZPWTO-AWEZNQCLSA-N 0 2 328.280 2.541 20 5 EFBDLN CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC000772046354 581275540 /nfs/dbraw/zinc/27/55/40/581275540.db2.gz GUYYGONGJBWGJE-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091131464 601891818 /nfs/dbraw/zinc/89/18/18/601891818.db2.gz TYBTVIUUVOGBNL-NSHDSACASA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091131464 601891820 /nfs/dbraw/zinc/89/18/20/601891820.db2.gz TYBTVIUUVOGBNL-NSHDSACASA-N 0 2 330.793 2.640 20 5 EFBDLN CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025754 1272622652 /nfs/dbraw/zinc/62/26/52/1272622652.db2.gz UTFUHWNZPNVFMJ-BZUAXINKSA-N 0 2 349.479 2.545 20 5 EFBDLN COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1C ZINC000792446502 1278777839 /nfs/dbraw/zinc/77/78/39/1278777839.db2.gz CVBFZXVCIHEFEK-UHFFFAOYSA-N 0 2 347.283 2.778 20 5 EFBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](O)c1ccccc1 ZINC000792568591 1278885718 /nfs/dbraw/zinc/88/57/18/1278885718.db2.gz DNBLRODUBCOMFD-RDJZCZTQSA-N 0 2 344.367 2.933 20 5 EFBDLN O=[N+]([O-])c1ccc(NOC[C@@H]2CCOC2)nc1OCc1ccccc1 ZINC000788081960 1276033144 /nfs/dbraw/zinc/03/31/44/1276033144.db2.gz BZGUYEBRBBGRHY-CQSZACIVSA-N 0 2 345.355 2.949 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000820001798 1276989251 /nfs/dbraw/zinc/98/92/51/1276989251.db2.gz CYFIEDBWUBAKAK-UHFFFAOYSA-N 0 2 327.300 2.517 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ocnc21 ZINC000821090051 1277436750 /nfs/dbraw/zinc/43/67/50/1277436750.db2.gz REYDMAPXDWKBMF-UHFFFAOYSA-N 0 2 333.325 2.845 20 5 EFBDLN CCOC(=O)/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccnc(F)c1 ZINC000812247461 1285000529 /nfs/dbraw/zinc/00/05/29/1285000529.db2.gz NFCYTQQKWNLYIE-JYRVWZFOSA-N 0 2 332.287 2.938 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](O)c1ccc(Cl)cc1F ZINC000813499636 1285969789 /nfs/dbraw/zinc/96/97/89/1285969789.db2.gz XIPIHHZCAJKHHG-ZDUSSCGKSA-N 0 2 340.694 2.765 20 5 EFBDLN COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc(O)c([N+](=O)[O-])c1)N2 ZINC000102418308 1294211258 /nfs/dbraw/zinc/21/12/58/1294211258.db2.gz GBYDDWMXSTXNOY-OAHLLOKOSA-N 0 2 329.312 2.505 20 5 EFBDLN Cc1cc(=O)c2c(O[C@H](C[N+](=O)[O-])c3cccnc3)cc(O)cc2o1 ZINC001234813223 1313194144 /nfs/dbraw/zinc/19/41/44/1313194144.db2.gz ICOLKXZIFKAGCN-MRXNPFEDSA-N 0 2 342.307 2.599 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000776196764 1296966846 /nfs/dbraw/zinc/96/68/46/1296966846.db2.gz LEBKCMSDEGZESZ-UHFFFAOYSA-N 0 2 342.267 2.942 20 5 EFBDLN Cc1cnccc1-c1noc(-c2[nH]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973145 1297332016 /nfs/dbraw/zinc/33/20/16/1297332016.db2.gz SHROGLNPLBXCLW-UHFFFAOYSA-N 0 2 340.221 2.757 20 5 EFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-] ZINC000083955046 1298724525 /nfs/dbraw/zinc/72/45/25/1298724525.db2.gz BJHOHGMFBPYGKJ-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CCN(CCCNC(=O)C=C1CCC1)c1nccc(C)c1[N+](=O)[O-] ZINC001095857429 1298726825 /nfs/dbraw/zinc/72/68/25/1298726825.db2.gz VHRYLBBZVBTGCV-UHFFFAOYSA-N 0 2 332.404 2.741 20 5 EFBDLN CC[C@@H](C)CONC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000794840979 1303282171 /nfs/dbraw/zinc/28/21/71/1303282171.db2.gz BJANTQIUDLTTLN-LLVKDONJSA-N 0 2 342.417 2.931 20 5 EFBDLN CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620191 1311555307 /nfs/dbraw/zinc/55/53/07/1311555307.db2.gz ONLAUYZGFIKIPI-AWEZNQCLSA-N 0 2 345.355 2.642 20 5 EFBDLN CCOC(=O)[C@@H](C)[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC001225623565 1311555754 /nfs/dbraw/zinc/55/57/54/1311555754.db2.gz PYPKJXQSDHWHJV-CPCISQLKSA-N 0 2 337.250 2.809 20 5 EFBDLN CCOC(=O)[C@@H](C)[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC001225623570 1311555800 /nfs/dbraw/zinc/55/58/00/1311555800.db2.gz PYPKJXQSDHWHJV-WRWORJQWSA-N 0 2 337.250 2.809 20 5 EFBDLN COC(=O)C[C@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972637 1312029902 /nfs/dbraw/zinc/02/99/02/1312029902.db2.gz BDIIUDKJDIQFIK-ONGXEEELSA-N 0 2 325.317 2.507 20 5 EFBDLN COC(=O)CC1CCC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228973142 1312030238 /nfs/dbraw/zinc/03/02/38/1312030238.db2.gz GMAYEANPXXJOSK-UHFFFAOYSA-N 0 2 325.317 2.507 20 5 EFBDLN C[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000802888025 1312110870 /nfs/dbraw/zinc/11/08/70/1312110870.db2.gz VREJIVQVJMKWEX-JTQLQIEISA-N 0 2 330.296 2.519 20 5 EFBDLN CCCSc1nc(OC[C@@H]2CCCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793357 1312140808 /nfs/dbraw/zinc/14/08/08/1312140808.db2.gz ZGUKEGRISSFUFE-VIFPVBQESA-N 0 2 329.378 2.540 20 5 EFBDLN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001163110455 1312242932 /nfs/dbraw/zinc/24/29/32/1312242932.db2.gz BHWOJXINROLZSZ-UHFFFAOYSA-N 0 2 326.316 2.515 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(Cl)ncc2O)n1 ZINC001213942387 1314625133 /nfs/dbraw/zinc/62/51/33/1314625133.db2.gz TWZBCIODKXDIBG-UHFFFAOYSA-N 0 2 337.654 2.600 20 5 EFBDLN CC(C)(C)c1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120038700 1314763645 /nfs/dbraw/zinc/76/36/45/1314763645.db2.gz PDGIAZKIGPFCSZ-UHFFFAOYSA-N 0 2 348.431 2.606 20 5 EFBDLN COc1cccc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)c1 ZINC001247985837 1314878267 /nfs/dbraw/zinc/87/82/67/1314878267.db2.gz AAZSUHIHEJZAQR-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN COc1cc(-c2nc(-c3cc(F)ccn3)no2)cc([N+](=O)[O-])c1O ZINC001216839048 1315013905 /nfs/dbraw/zinc/01/39/05/1315013905.db2.gz KQVPKROEHHUVKY-UHFFFAOYSA-N 0 2 332.247 2.560 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(F)c(O)cc2F)n1 ZINC001216933859 1315024244 /nfs/dbraw/zinc/02/42/44/1315024244.db2.gz ZQSJUCDQEOUGQE-UHFFFAOYSA-N 0 2 338.201 2.830 20 5 EFBDLN C[C@@H]1[C@@H](C)[C@H](C)CN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001262902765 1316501255 /nfs/dbraw/zinc/50/12/55/1316501255.db2.gz OZJDDEOZYAMGOE-OUAUKWLOSA-N 0 2 331.376 2.577 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CC2)C1 ZINC001263056906 1316516388 /nfs/dbraw/zinc/51/63/88/1316516388.db2.gz ORANPQGLRXPJOT-CYBMUJFWSA-N 0 2 343.387 2.815 20 5 EFBDLN CC[C@H]1CCCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1CC ZINC001263057221 1316516469 /nfs/dbraw/zinc/51/64/69/1316516469.db2.gz XTYFPHPSDCYGSW-LBPRGKRZSA-N 0 2 331.376 2.958 20 5 EFBDLN CC[C@H]1CCCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001339916961 1332113165 /nfs/dbraw/zinc/11/31/65/1332113165.db2.gz SENRCUFGTUQMPX-NSHDSACASA-N 0 2 331.376 2.722 20 5 EFBDLN C[C@@H]1CCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C[C@@H]1C ZINC001351095051 1333179356 /nfs/dbraw/zinc/17/93/56/1333179356.db2.gz MIUPHPYFFSZHNH-MNOVXSKESA-N 0 2 331.376 2.578 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120086001 712912109 /nfs/dbraw/zinc/91/21/09/712912109.db2.gz JVTOSPAMVSFOCW-UHFFFAOYSA-N 0 2 343.342 2.674 20 5 EFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCc2ccccc21 ZINC000180765879 718375100 /nfs/dbraw/zinc/37/51/00/718375100.db2.gz YCIJXEPCTRCBOV-NSHDSACASA-N 0 2 327.340 2.690 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(Cl)n1 ZINC000162277913 718433393 /nfs/dbraw/zinc/43/33/93/718433393.db2.gz MZISJTNVKDXHNA-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000078002329 721069124 /nfs/dbraw/zinc/06/91/24/721069124.db2.gz UOCLCAZWOGQVCN-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000152813860 726265726 /nfs/dbraw/zinc/26/57/26/726265726.db2.gz FARQSXFSCNXJTF-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN O=C([O-])c1ccccc1OCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001255009146 960654424 /nfs/dbraw/zinc/65/44/24/960654424.db2.gz ZLLYZPIWMAJJGC-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1ccccc1OCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001255009146 960654436 /nfs/dbraw/zinc/65/44/36/960654436.db2.gz ZLLYZPIWMAJJGC-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])CCC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001606131614 973378100 /nfs/dbraw/zinc/37/81/00/973378100.db2.gz SRQRPUZIINWYBF-UHFFFAOYSA-N 0 2 328.315 2.950 20 5 EFBDLN C[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000844214365 979373911 /nfs/dbraw/zinc/37/39/11/979373911.db2.gz GATHYGZGXNGBIG-BLLLJJGKSA-N 0 2 344.371 2.506 20 5 EFBDLN C[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000844214368 979374118 /nfs/dbraw/zinc/37/41/18/979374118.db2.gz GATHYGZGXNGBIG-WBMJQRKESA-N 0 2 344.371 2.506 20 5 EFBDLN Cc1ccc(C[N@@H+]2CCOc3cc(C(=O)[O-])ccc3C2)cc1[N+](=O)[O-] ZINC001600414045 1095046988 /nfs/dbraw/zinc/04/69/88/1095046988.db2.gz DZBSYDYGIIVEHR-UHFFFAOYSA-N 0 2 342.351 2.996 20 5 EFBDLN Cc1ccc(C[N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)cc1[N+](=O)[O-] ZINC001600414045 1095047002 /nfs/dbraw/zinc/04/70/02/1095047002.db2.gz DZBSYDYGIIVEHR-UHFFFAOYSA-N 0 2 342.351 2.996 20 5 EFBDLN Cc1nn(CCC(=O)[O-])c(C)c1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001600784463 1095330111 /nfs/dbraw/zinc/33/01/11/1095330111.db2.gz NRVJKZCQZYFNHL-UHFFFAOYSA-N 0 2 346.387 2.515 20 5 EFBDLN Cc1nn(CCC(=O)[O-])c(C)c1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001600784463 1095330120 /nfs/dbraw/zinc/33/01/20/1095330120.db2.gz NRVJKZCQZYFNHL-UHFFFAOYSA-N 0 2 346.387 2.515 20 5 EFBDLN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601660629 1095790572 /nfs/dbraw/zinc/79/05/72/1095790572.db2.gz VUTRZJRIGQALCT-CQSZACIVSA-N 0 2 341.323 2.522 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001601871313 1095945661 /nfs/dbraw/zinc/94/56/61/1095945661.db2.gz AXGZCAXAECRZJA-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001601871313 1095945669 /nfs/dbraw/zinc/94/56/69/1095945669.db2.gz AXGZCAXAECRZJA-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC001602421789 1096235702 /nfs/dbraw/zinc/23/57/02/1096235702.db2.gz PHAUVBOSFHYBRT-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC001602421789 1096235710 /nfs/dbraw/zinc/23/57/10/1096235710.db2.gz PHAUVBOSFHYBRT-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001607191687 1097556994 /nfs/dbraw/zinc/55/69/94/1097556994.db2.gz QFDOCPQFOKYFIJ-MRVPVSSYSA-N 0 2 337.357 2.609 20 5 EFBDLN Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607669526 1097695778 /nfs/dbraw/zinc/69/57/78/1097695778.db2.gz LNCPYAHAARTFCF-LBPRGKRZSA-N 0 2 330.344 2.639 20 5 EFBDLN Cc1ccc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001607756256 1097721021 /nfs/dbraw/zinc/72/10/21/1097721021.db2.gz HMVGQAHWFHCELM-MRXNPFEDSA-N 0 2 330.340 2.833 20 5 EFBDLN Cc1ccc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(=O)[O-])cc1C ZINC001607756254 1097721387 /nfs/dbraw/zinc/72/13/87/1097721387.db2.gz HMVGQAHWFHCELM-INIZCTEOSA-N 0 2 330.340 2.833 20 5 EFBDLN Cc1[nH]c([C@@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[nH+]c1C ZINC001607953334 1097787485 /nfs/dbraw/zinc/78/74/85/1097787485.db2.gz BWTPVGXAIQMDGF-HNNXBMFYSA-N 0 2 344.371 2.970 20 5 EFBDLN C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cn1cc[nH+]c1 ZINC001609746488 1098445165 /nfs/dbraw/zinc/44/51/65/1098445165.db2.gz KNPTXWXBWIKMPB-SECBINFHSA-N 0 2 338.751 2.891 20 5 EFBDLN C[NH+](C)c1ccc(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001610104011 1098547998 /nfs/dbraw/zinc/54/79/98/1098547998.db2.gz LHBBIGBLIDNETN-UHFFFAOYSA-N 0 2 345.355 2.736 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC001610841920 1098929183 /nfs/dbraw/zinc/92/91/83/1098929183.db2.gz KSDCTCROIXOYHV-UHFFFAOYSA-N 0 2 347.396 2.677 20 5 EFBDLN COc1ccccc1C1=N/C(=C\c2ccc([N+](=O)[O-])c(O)c2)C(=O)O1 ZINC000748157479 1102905971 /nfs/dbraw/zinc/90/59/71/1102905971.db2.gz NXYNTCTXVLUILU-WQLSENKSSA-N 0 2 340.291 2.654 20 5 EFBDLN COc1nc(N[C@H](c2ccccn2)C(F)(F)F)nc(C)c1[N+](=O)[O-] ZINC001168477755 1111338417 /nfs/dbraw/zinc/33/84/17/1111338417.db2.gz LHAARWYESYNHAC-SNVBAGLBSA-N 0 2 343.265 2.812 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000174022213 529664119 /nfs/dbraw/zinc/66/41/19/529664119.db2.gz UOLNWJOLKCLDDM-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000174019433 529664324 /nfs/dbraw/zinc/66/43/24/529664324.db2.gz VEYQEMNPENYCTB-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000159392375 529717821 /nfs/dbraw/zinc/71/78/21/529717821.db2.gz SBVZMSLWOOWGQA-AWEZNQCLSA-N 0 2 346.339 2.670 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000178419546 232162248 /nfs/dbraw/zinc/16/22/48/232162248.db2.gz UZUCIJLLVFEKEJ-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1O ZINC000436891338 303988112 /nfs/dbraw/zinc/98/81/12/303988112.db2.gz XDICQSLMFLDSBT-LBPRGKRZSA-N 0 2 334.715 2.817 20 5 EFBDLN CC(C)c1nc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cs1 ZINC000102482878 219206732 /nfs/dbraw/zinc/20/67/32/219206732.db2.gz VLLPGDNAUPYFLA-UHFFFAOYSA-N 0 2 335.385 2.853 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)NC(=O)CS2 ZINC000340544254 303999131 /nfs/dbraw/zinc/99/91/31/303999131.db2.gz FOFVNDSJPZNUSY-UHFFFAOYSA-N 0 2 345.336 2.597 20 5 EFBDLN Cc1csc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)n1 ZINC000179517590 233131411 /nfs/dbraw/zinc/13/14/11/233131411.db2.gz DHVRARPKKJRSJN-CYBMUJFWSA-N 0 2 333.369 2.946 20 5 EFBDLN CCS(=O)(=O)Nc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000129971968 223108343 /nfs/dbraw/zinc/10/83/43/223108343.db2.gz NWGBKKAZBVYWMS-UHFFFAOYSA-N 0 2 327.387 2.788 20 5 EFBDLN O=C(Nc1cccc(-c2nnco2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164168240 239112576 /nfs/dbraw/zinc/11/25/76/239112576.db2.gz IEYJZGZLOCYBRA-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000191739056 239275950 /nfs/dbraw/zinc/27/59/50/239275950.db2.gz BSDSQYVVIZFJCN-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000191903729 239373680 /nfs/dbraw/zinc/37/36/80/239373680.db2.gz NZMHRNYWXUGJSA-UHFFFAOYSA-N 0 2 338.389 2.859 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1COc2ccccc21 ZINC000184891789 296105186 /nfs/dbraw/zinc/10/51/86/296105186.db2.gz ZWRWAULHPBQRIU-YGRLFVJLSA-N 0 2 328.324 2.595 20 5 EFBDLN O=C(COCC1CCCC1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000412002933 243065993 /nfs/dbraw/zinc/06/59/93/243065993.db2.gz VNQZDMRTTYRYQZ-UHFFFAOYSA-N 0 2 345.359 2.525 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnoc1C1CC1 ZINC000414382491 244123104 /nfs/dbraw/zinc/12/31/04/244123104.db2.gz LJTBERPUVDLPHS-UHFFFAOYSA-N 0 2 337.357 2.823 20 5 EFBDLN O=C(Nc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436963270 249641562 /nfs/dbraw/zinc/64/15/62/249641562.db2.gz ZDBRAMCQZVGNDG-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000092546189 218149243 /nfs/dbraw/zinc/14/92/43/218149243.db2.gz KMTXEMMVXRFWJM-NWDGAFQWSA-N 0 2 349.387 2.524 20 5 EFBDLN CC(C)(C)c1nc(=NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s[nH]1 ZINC000443954270 250240082 /nfs/dbraw/zinc/24/00/82/250240082.db2.gz CHWYNIQUMUSBBT-UHFFFAOYSA-N 0 2 332.389 2.654 20 5 EFBDLN COc1ccccc1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000445197479 250394527 /nfs/dbraw/zinc/39/45/27/250394527.db2.gz YUGJRIXDEKRUHK-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN Cc1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000267581373 251168434 /nfs/dbraw/zinc/16/84/34/251168434.db2.gz ZEOXYOXHRZQLST-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000119258660 221278689 /nfs/dbraw/zinc/27/86/89/221278689.db2.gz JYKGLONWTQQAFE-UHFFFAOYSA-N 0 2 344.418 2.599 20 5 EFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(OC)c1C ZINC000349342887 142322276 /nfs/dbraw/zinc/32/22/76/142322276.db2.gz BLHCKWIFVKYDJV-UHFFFAOYSA-N 0 2 332.312 2.878 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(F)ccc2O)c1 ZINC000350728792 146084020 /nfs/dbraw/zinc/08/40/20/146084020.db2.gz GGWGNXCOHJXPIB-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000350731049 146084701 /nfs/dbraw/zinc/08/47/01/146084701.db2.gz XZLSLBJTUQGRHJ-UHFFFAOYSA-N 0 2 339.373 2.871 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)s2)[nH]1 ZINC000352022329 146267216 /nfs/dbraw/zinc/26/72/16/146267216.db2.gz XAZARPZSBDYFBR-IWQZZHSRSA-N 0 2 344.146 2.790 20 5 EFBDLN O=C(CSc1nc2ccccc2[nH]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000356318640 147210520 /nfs/dbraw/zinc/21/05/20/147210520.db2.gz GMTUTEAMWVOZCT-UHFFFAOYSA-N 0 2 344.352 2.908 20 5 EFBDLN Cc1ccc([C@@H](C)[C@@H](O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356326368 147212988 /nfs/dbraw/zinc/21/29/88/147212988.db2.gz YUDSGCKLPFLJGO-BDJLRTHQSA-N 0 2 330.340 2.712 20 5 EFBDLN Cc1cc(F)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000356332677 147214445 /nfs/dbraw/zinc/21/44/45/147214445.db2.gz PGARDNRUDKAPHM-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356888429 147363702 /nfs/dbraw/zinc/36/37/02/147363702.db2.gz CORJMBMNOPZVGQ-QLJPJBMISA-N 0 2 348.330 2.946 20 5 EFBDLN Cc1cccnc1C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359682586 148161650 /nfs/dbraw/zinc/16/16/50/148161650.db2.gz OKPPSHIKNOEXBO-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2F)cc1[N+](=O)[O-] ZINC000359860268 148209785 /nfs/dbraw/zinc/20/97/85/148209785.db2.gz UMASDHIMQJSWKY-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000360159727 148287385 /nfs/dbraw/zinc/28/73/85/148287385.db2.gz UTLLIBULDFGJBR-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000360399894 148352839 /nfs/dbraw/zinc/35/28/39/148352839.db2.gz FUDHCUUZPUQJJR-OAHLLOKOSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158539673 225038140 /nfs/dbraw/zinc/03/81/40/225038140.db2.gz TWFGKGNYXMKOCH-WMLDXEAASA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@H]1c1ccccc1 ZINC000364980950 304504594 /nfs/dbraw/zinc/50/45/94/304504594.db2.gz MKOUJJXDLNQJIK-HNNXBMFYSA-N 0 2 328.324 2.514 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000269467599 265518595 /nfs/dbraw/zinc/51/85/95/265518595.db2.gz JSPTVTLVJNGKBC-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CCn1nc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000270711666 265784884 /nfs/dbraw/zinc/78/48/84/265784884.db2.gz LOWJJRNYSCJKPS-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271555543 266005981 /nfs/dbraw/zinc/00/59/81/266005981.db2.gz PPBGLZLHDCNMDJ-JTQLQIEISA-N 0 2 339.348 2.542 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])oc1C ZINC000272100301 266153947 /nfs/dbraw/zinc/15/39/47/266153947.db2.gz GPUDEKGJNUFUSG-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CCCCC2)no1 ZINC000272600129 266322471 /nfs/dbraw/zinc/32/24/71/266322471.db2.gz KNMOHBPELSVLLF-UHFFFAOYSA-N 0 2 346.343 2.581 20 5 EFBDLN O=C(NCc1ccc2c(n1)CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000278280948 267389331 /nfs/dbraw/zinc/38/93/31/267389331.db2.gz ZSSXXCOSYJPPRF-UHFFFAOYSA-N 0 2 327.340 2.504 20 5 EFBDLN CC[C@@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccn1 ZINC000181921914 273045739 /nfs/dbraw/zinc/04/57/39/273045739.db2.gz RVZNDQRKBAHELX-LLVKDONJSA-N 0 2 345.355 2.803 20 5 EFBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](O)c1ccccc1 ZINC000280517265 273336125 /nfs/dbraw/zinc/33/61/25/273336125.db2.gz ISULYQFGQVHLMK-PBHICJAKSA-N 0 2 344.367 2.933 20 5 EFBDLN C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@H]1C2(Cl)Cl ZINC000286182319 274149026 /nfs/dbraw/zinc/14/90/26/274149026.db2.gz JUNCCYXVYWRYJI-YPMHNXCESA-N 0 2 345.182 2.956 20 5 EFBDLN CC(C)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCCCC1=O ZINC000089540775 279076726 /nfs/dbraw/zinc/07/67/26/279076726.db2.gz KZKFGYQDDDJGKL-CQSZACIVSA-N 0 2 349.387 2.666 20 5 EFBDLN CC(C)n1ncc2c1[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)CCC2 ZINC000364032075 280795170 /nfs/dbraw/zinc/79/51/70/280795170.db2.gz XZKHPVLHVIGHJY-AWEZNQCLSA-N 0 2 344.371 2.885 20 5 EFBDLN CC1(C)Cc2cc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])ccc2O1 ZINC000352013247 281370648 /nfs/dbraw/zinc/37/06/48/281370648.db2.gz IEGHQMURJJSVKP-HYXAFXHYSA-N 0 2 329.312 2.680 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1 ZINC000078002229 292771463 /nfs/dbraw/zinc/77/14/63/292771463.db2.gz DCFLRZAKJBRBMY-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080423061 292804210 /nfs/dbraw/zinc/80/42/10/292804210.db2.gz YWXIDEDXCSCIHV-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000119934094 292917237 /nfs/dbraw/zinc/91/72/37/292917237.db2.gz XRCLVCZUEIRHJZ-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1OCCc2sccc21 ZINC000294686229 295207659 /nfs/dbraw/zinc/20/76/59/295207659.db2.gz PWVRMXRQKDERAR-VFZGTOFNSA-N 0 2 348.380 2.794 20 5 EFBDLN COc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000372632158 295259996 /nfs/dbraw/zinc/25/99/96/295259996.db2.gz MLNIJPDWZQXCFJ-UHFFFAOYSA-N 0 2 342.351 2.550 20 5 EFBDLN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369791448 295268174 /nfs/dbraw/zinc/26/81/74/295268174.db2.gz BOWWTRJBQCIMCH-ZDUSSCGKSA-N 0 2 344.323 2.563 20 5 EFBDLN COc1ccc2c(c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000189402018 295277658 /nfs/dbraw/zinc/27/76/58/295277658.db2.gz NVERWGFZPRGSCZ-UHFFFAOYSA-N 0 2 348.380 2.893 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(C3CC3)cc2)ccc1[N+](=O)[O-] ZINC000295419997 295317298 /nfs/dbraw/zinc/31/72/98/295317298.db2.gz YBJCGLKOUIQIDA-UHFFFAOYSA-N 0 2 333.369 2.976 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC2(C1)CCCCCC2 ZINC000184714702 304533874 /nfs/dbraw/zinc/53/38/74/304533874.db2.gz MWONUYFXCIONNA-UHFFFAOYSA-N 0 2 334.372 2.866 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC000451050397 301015003 /nfs/dbraw/zinc/01/50/03/301015003.db2.gz NVPIKGPVPYRCKW-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000364968712 302154231 /nfs/dbraw/zinc/15/42/31/302154231.db2.gz QEWPBAHQOYZSOI-KRWDZBQOSA-N 0 2 342.351 2.823 20 5 EFBDLN Cc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000364968716 302219884 /nfs/dbraw/zinc/21/98/84/302219884.db2.gz QEWPBAHQOYZSOI-QGZVFWFLSA-N 0 2 342.351 2.823 20 5 EFBDLN Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)ncc1[N+](=O)[O-] ZINC000302259895 311187302 /nfs/dbraw/zinc/18/73/02/311187302.db2.gz PGGHZBWTDADAMA-UHFFFAOYSA-N 0 2 340.343 2.607 20 5 EFBDLN CCOc1ncccc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000350638434 311814867 /nfs/dbraw/zinc/81/48/67/311814867.db2.gz SBNZSENQFBJUAN-UHFFFAOYSA-N 0 2 328.284 2.811 20 5 EFBDLN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3O)n[nH]2)cc1 ZINC000436972273 312604603 /nfs/dbraw/zinc/60/46/03/312604603.db2.gz NDRMIWJOTOSMED-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000436973695 312604765 /nfs/dbraw/zinc/60/47/65/312604765.db2.gz UMMALTNAKINRLY-GFCCVEGCSA-N 0 2 334.715 2.817 20 5 EFBDLN COc1cccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436981420 312606044 /nfs/dbraw/zinc/60/60/44/312606044.db2.gz UDXNFNKZKIIVAZ-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000437001199 312608464 /nfs/dbraw/zinc/60/84/64/312608464.db2.gz ODJCBRWOMKLRQH-GWCFXTLKSA-N 0 2 334.278 2.865 20 5 EFBDLN CC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)nc1C ZINC000486949801 313350744 /nfs/dbraw/zinc/35/07/44/313350744.db2.gz XUMBCYYXMJMQMS-UHFFFAOYSA-N 0 2 329.312 2.767 20 5 EFBDLN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000488483922 313489437 /nfs/dbraw/zinc/48/94/37/313489437.db2.gz HXRVHFWHOCDSJE-LSDHHAIUSA-N 0 2 336.388 2.966 20 5 EFBDLN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000495539405 314748519 /nfs/dbraw/zinc/74/85/19/314748519.db2.gz KUXSEQKHHCSOIV-SNVBAGLBSA-N 0 2 339.348 2.542 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000531527141 317278679 /nfs/dbraw/zinc/27/86/79/317278679.db2.gz BCEOVXDBERTKNF-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN O=C(Cc1ccn(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000537769713 317681733 /nfs/dbraw/zinc/68/17/33/317681733.db2.gz MYUYJKAFRZZMJO-UHFFFAOYSA-N 0 2 338.323 2.667 20 5 EFBDLN CC[C@@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000548146709 318078491 /nfs/dbraw/zinc/07/84/91/318078491.db2.gz CHLWYUCKPFLTDX-SNVBAGLBSA-N 0 2 344.286 2.743 20 5 EFBDLN Cc1cn2c([nH+]1)[C@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000568767647 319317022 /nfs/dbraw/zinc/31/70/22/319317022.db2.gz USPWWAOPRKAXMD-ZDUSSCGKSA-N 0 2 344.371 2.716 20 5 EFBDLN Cc1cc(N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000576351037 320008209 /nfs/dbraw/zinc/00/82/09/320008209.db2.gz PUMDKAOOZWKSFU-CYBMUJFWSA-N 0 2 343.339 2.654 20 5 EFBDLN O=C(NCCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182116102 323265418 /nfs/dbraw/zinc/26/54/18/323265418.db2.gz NJYFNDVCMHQSKQ-UHFFFAOYSA-N 0 2 333.319 2.672 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000075660712 462747477 /nfs/dbraw/zinc/74/74/77/462747477.db2.gz FCZICJPZZCWFDR-UHFFFAOYSA-N 0 2 325.371 2.730 20 5 EFBDLN CN(CCOCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184862053 473255699 /nfs/dbraw/zinc/25/56/99/473255699.db2.gz KQUZUZHUDMMWQX-UHFFFAOYSA-N 0 2 330.340 2.589 20 5 EFBDLN C[C@H](O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184868009 473259537 /nfs/dbraw/zinc/25/95/37/473259537.db2.gz TWESWYRGOQXUDR-JSGCOSHPSA-N 0 2 344.367 2.585 20 5 EFBDLN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171092529 473280958 /nfs/dbraw/zinc/28/09/58/473280958.db2.gz ZBRURRKLCPXZNE-SJORKVTESA-N 0 2 342.351 2.951 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3n[nH]cc3c2)cc1C ZINC000125110437 473357842 /nfs/dbraw/zinc/35/78/42/473357842.db2.gz CKGSOEDWEHYLQK-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(F)ccc1O ZINC000125174212 473369254 /nfs/dbraw/zinc/36/92/54/473369254.db2.gz HNHVOOTYMXCBEL-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)c([N+](=O)[O-])c1 ZINC000083956188 473378655 /nfs/dbraw/zinc/37/86/55/473378655.db2.gz UBIMSAAWKWZXML-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185273008 473382830 /nfs/dbraw/zinc/38/28/30/473382830.db2.gz DYUKDVSBWNAYCO-HNNXBMFYSA-N 0 2 344.367 2.714 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1 ZINC000003149480 471434336 /nfs/dbraw/zinc/43/43/36/471434336.db2.gz XGBKJDWGPCXPOO-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN Cc1c(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cccc1[N+](=O)[O-] ZINC000068297896 472166365 /nfs/dbraw/zinc/16/63/65/472166365.db2.gz RFXVFSHRBICOBF-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000055556123 472202844 /nfs/dbraw/zinc/20/28/44/472202844.db2.gz MSVRATUNYQJQGT-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000084746832 472214681 /nfs/dbraw/zinc/21/46/81/472214681.db2.gz HJHLPJWFMOVRDF-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN O=C(/C=C/c1cnc2ccccc2n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531497 472456989 /nfs/dbraw/zinc/45/69/89/472456989.db2.gz JXPBBIRCTWABOW-VMPITWQZSA-N 0 2 336.307 2.896 20 5 EFBDLN COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000156118449 472667492 /nfs/dbraw/zinc/66/74/92/472667492.db2.gz GRIQNRCJBNONMJ-AWEZNQCLSA-N 0 2 342.351 2.939 20 5 EFBDLN O=C(NCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060627539 472672447 /nfs/dbraw/zinc/67/24/47/472672447.db2.gz VIKMVTNUZBHFNS-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000072758331 472711131 /nfs/dbraw/zinc/71/11/31/472711131.db2.gz LLRKNMVCOIECIA-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000072758300 472711585 /nfs/dbraw/zinc/71/15/85/472711585.db2.gz KJLPHYDKOZZKDE-UHFFFAOYSA-N 0 2 345.336 2.649 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2n[nH]cc21 ZINC000063635602 472796145 /nfs/dbraw/zinc/79/61/45/472796145.db2.gz OUIUMSCRIAASOM-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000157599203 472838425 /nfs/dbraw/zinc/83/84/25/472838425.db2.gz MYACNQHGIDZKIZ-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN O=C(Cc1cc(F)c(F)cc1F)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545970 472932457 /nfs/dbraw/zinc/93/24/57/472932457.db2.gz VWFJUNQWMVITAK-UHFFFAOYSA-N 0 2 326.230 2.899 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1occc1Br ZINC000092545916 472932745 /nfs/dbraw/zinc/93/27/45/472932745.db2.gz DTBNYPJTEYVFBH-UHFFFAOYSA-N 0 2 327.090 2.908 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1csc([C@@H]2CCCO2)n1 ZINC000092547524 472933500 /nfs/dbraw/zinc/93/35/00/472933500.db2.gz LHUYPEAQAGTMLQ-LBPRGKRZSA-N 0 2 335.341 2.861 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]cc3c2)c([N+](=O)[O-])c1 ZINC000158593900 472950490 /nfs/dbraw/zinc/95/04/90/472950490.db2.gz BFOJRRVYFSYRLA-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000066249921 473064686 /nfs/dbraw/zinc/06/46/86/473064686.db2.gz ZVUOESHBNGLYEE-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000159959625 473076343 /nfs/dbraw/zinc/07/63/43/473076343.db2.gz FOPIIRISKQHKIP-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000074983175 473106916 /nfs/dbraw/zinc/10/69/16/473106916.db2.gz NHZAHAIDBHUVAW-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000160540027 473139693 /nfs/dbraw/zinc/13/96/93/473139693.db2.gz BCBBIPLQKAEXOY-LSDHHAIUSA-N 0 2 334.372 2.720 20 5 EFBDLN Cc1ccc(N(C)Cc2nc(=O)c3sccc3[nH]2)c([N+](=O)[O-])c1 ZINC000160580202 473146581 /nfs/dbraw/zinc/14/65/81/473146581.db2.gz KMYCXWGJFRZWMP-UHFFFAOYSA-N 0 2 330.369 2.838 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000160639689 473155781 /nfs/dbraw/zinc/15/57/81/473155781.db2.gz MUCVYAIUAJBSOC-UHFFFAOYSA-N 0 2 338.389 2.859 20 5 EFBDLN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185350447 473402944 /nfs/dbraw/zinc/40/29/44/473402944.db2.gz SDATXOBSGBPBDK-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2O)ccc1[N+](=O)[O-] ZINC000177680646 473415485 /nfs/dbraw/zinc/41/54/85/473415485.db2.gz PXZAPMVIIWLPRD-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c(F)cc(F)cc2C1 ZINC000151429479 473456508 /nfs/dbraw/zinc/45/65/08/473456508.db2.gz CTKRSCUJJRMMPN-UHFFFAOYSA-N 0 2 334.278 2.777 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000126093001 473487679 /nfs/dbraw/zinc/48/76/79/473487679.db2.gz OCDHEIXHBYZFFK-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN CC(=O)N(C)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000164411251 473489155 /nfs/dbraw/zinc/48/91/55/473489155.db2.gz COSHSCRREIRYEW-UHFFFAOYSA-N 0 2 329.312 2.535 20 5 EFBDLN CCN(C)c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c[nH+]1 ZINC000191255497 473519847 /nfs/dbraw/zinc/51/98/47/473519847.db2.gz NGAWGCHNNYNRTC-GQCTYLIASA-N 0 2 328.328 2.710 20 5 EFBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000115715249 473598062 /nfs/dbraw/zinc/59/80/62/473598062.db2.gz FVYIVYGAHDHDHQ-AWEZNQCLSA-N 0 2 341.367 2.699 20 5 EFBDLN Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000186206849 473616662 /nfs/dbraw/zinc/61/66/62/473616662.db2.gz RTUKUYZJCVMUOU-UHFFFAOYSA-N 0 2 332.360 2.875 20 5 EFBDLN Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)n[nH]2)o1 ZINC000179172988 473646514 /nfs/dbraw/zinc/64/65/14/473646514.db2.gz UCGKNLABPVSIEL-UHFFFAOYSA-N 0 2 328.284 2.844 20 5 EFBDLN Cn1cc[nH+]c1-c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179439075 473687615 /nfs/dbraw/zinc/68/76/15/473687615.db2.gz APUCWQKJYVZPMM-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN CC(C)c1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)cs1 ZINC000179472085 473689571 /nfs/dbraw/zinc/68/95/71/473689571.db2.gz QCGUBZZGEQPDOC-UHFFFAOYSA-N 0 2 335.385 2.853 20 5 EFBDLN COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194137248 473849250 /nfs/dbraw/zinc/84/92/50/473849250.db2.gz LUIMOZHTEXACGJ-VIFPVBQESA-N 0 2 334.303 2.939 20 5 EFBDLN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccnc1 ZINC000187788000 473920396 /nfs/dbraw/zinc/92/03/96/473920396.db2.gz XXBDYKBUUXEGJR-HNNXBMFYSA-N 0 2 329.356 2.865 20 5 EFBDLN COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000180745678 473956416 /nfs/dbraw/zinc/95/64/16/473956416.db2.gz GCEXTPDDXRQFAS-UHFFFAOYSA-N 0 2 328.324 2.508 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000180757346 473957483 /nfs/dbraw/zinc/95/74/83/473957483.db2.gz DHXCZVOCAUFJEU-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000274879535 473998925 /nfs/dbraw/zinc/99/89/25/473998925.db2.gz ZADJSLFUUNDSHO-LLVKDONJSA-N 0 2 344.323 2.771 20 5 EFBDLN C[C@H](O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000182106204 474101046 /nfs/dbraw/zinc/10/10/46/474101046.db2.gz RMPFZGHGYYFUHP-GXTWGEPZSA-N 0 2 344.367 2.585 20 5 EFBDLN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182188532 474119182 /nfs/dbraw/zinc/11/91/82/474119182.db2.gz CIOVVRHQSVAPQC-UHFFFAOYSA-N 0 2 340.257 2.990 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000183196173 474348358 /nfs/dbraw/zinc/34/83/58/474348358.db2.gz MMIQYXWFCVHZNY-UHFFFAOYSA-N 0 2 327.387 2.805 20 5 EFBDLN CCN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000609077126 480111280 /nfs/dbraw/zinc/11/12/80/480111280.db2.gz BHRXWTWHJTVURV-UHFFFAOYSA-N 0 2 327.340 2.935 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000184633729 474570194 /nfs/dbraw/zinc/57/01/94/474570194.db2.gz SGKIDGYQFVTDPX-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN CN(CCCOc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184649024 474574908 /nfs/dbraw/zinc/57/49/08/474574908.db2.gz RSNLPRDTDUBDSB-UHFFFAOYSA-N 0 2 330.340 2.842 20 5 EFBDLN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCC2 ZINC000184723238 474595209 /nfs/dbraw/zinc/59/52/09/474595209.db2.gz MHUKVAMOALQOLG-LSDHHAIUSA-N 0 2 334.372 2.720 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)c2ncccc12 ZINC000184763135 474602657 /nfs/dbraw/zinc/60/26/57/474602657.db2.gz ISLGIUMAFVJFNO-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(F)c2)c(Cl)c1 ZINC000337273957 474848137 /nfs/dbraw/zinc/84/81/37/474848137.db2.gz FGJCTBCKDRRZML-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cncc(F)c1 ZINC000337277128 474851273 /nfs/dbraw/zinc/85/12/73/474851273.db2.gz GRCOSQTVWUINNU-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000322128116 474936006 /nfs/dbraw/zinc/93/60/06/474936006.db2.gz NJIFSEXPBYHSBJ-UHFFFAOYSA-N 0 2 338.389 2.725 20 5 EFBDLN CSc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000337761089 475301844 /nfs/dbraw/zinc/30/18/44/475301844.db2.gz PDLLTBYORGIBJV-UHFFFAOYSA-N 0 2 340.382 2.823 20 5 EFBDLN O=C(Nc1nccn1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000341863779 475365041 /nfs/dbraw/zinc/36/50/41/475365041.db2.gz QLQIALXSRAJNKM-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc([S@@](C)=O)cc1 ZINC000339762228 475478044 /nfs/dbraw/zinc/47/80/44/475478044.db2.gz TXDGZFFJRKWDSI-CCGUKBGLSA-N 0 2 348.380 2.529 20 5 EFBDLN COc1cccc(CCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000352642373 475484485 /nfs/dbraw/zinc/48/44/85/475484485.db2.gz HKYVPCURBVLZMW-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000348453716 475675769 /nfs/dbraw/zinc/67/57/69/475675769.db2.gz XNUJBNINJJGEAH-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1nc2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000340143677 475793930 /nfs/dbraw/zinc/79/39/30/475793930.db2.gz MFXXRTSSUZVAJN-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2c(C)cccc2F)cc1[N+](=O)[O-] ZINC000358797612 475947138 /nfs/dbraw/zinc/94/71/38/475947138.db2.gz IRSHDOXINUCKON-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000358799957 475948962 /nfs/dbraw/zinc/94/89/62/475948962.db2.gz LGBAHPWBRBBPMK-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CC(=O)c1cccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340546981 476098635 /nfs/dbraw/zinc/09/86/35/476098635.db2.gz QLVTXLPCYRARPM-UHFFFAOYSA-N 0 2 330.296 2.521 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000350279062 476117781 /nfs/dbraw/zinc/11/77/81/476117781.db2.gz MTJDPOLKRZSMAT-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)CCc1cccs1 ZINC000357034592 476175502 /nfs/dbraw/zinc/17/55/02/476175502.db2.gz ZVXSHIWGRGFPOR-UHFFFAOYSA-N 0 2 342.398 2.649 20 5 EFBDLN COc1cc(C)ccc1OCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000347309114 476248326 /nfs/dbraw/zinc/24/83/26/476248326.db2.gz NACOCLROLKCHBU-UHFFFAOYSA-N 0 2 332.312 2.635 20 5 EFBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000357143933 476261714 /nfs/dbraw/zinc/26/17/14/476261714.db2.gz RBQACHQOKRGYHN-UHFFFAOYSA-N 0 2 339.311 2.641 20 5 EFBDLN CCc1csc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000353793869 476275082 /nfs/dbraw/zinc/27/50/82/476275082.db2.gz LWQNMRYYERADMC-UHFFFAOYSA-N 0 2 327.387 2.556 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2O)c1C ZINC000360606012 476315546 /nfs/dbraw/zinc/31/55/46/476315546.db2.gz YNGPUJYYBWPKPK-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN COc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1[N+](=O)[O-] ZINC000357323433 476331234 /nfs/dbraw/zinc/33/12/34/476331234.db2.gz GLAOKQAGCJXYIR-UHFFFAOYSA-N 0 2 346.368 2.950 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c([N+](=O)[O-])c1 ZINC000357544780 476445083 /nfs/dbraw/zinc/44/50/83/476445083.db2.gz XTQSVTRFXQJSDE-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1cc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000357607283 476485673 /nfs/dbraw/zinc/48/56/73/476485673.db2.gz CIGSNMFVQBSDIO-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncc(C(F)(F)F)c1 ZINC000362953656 476500961 /nfs/dbraw/zinc/50/09/61/476500961.db2.gz BMWCMFCQSRVCMR-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN Cc1cc(=O)c2cc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000430201226 476779521 /nfs/dbraw/zinc/77/95/21/476779521.db2.gz VROGWDAHOKUXRL-UHFFFAOYSA-N 0 2 339.307 2.703 20 5 EFBDLN CN1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2NC1=O ZINC000375390539 476811249 /nfs/dbraw/zinc/81/12/49/476811249.db2.gz HLJXUCVSPDSFKI-UHFFFAOYSA-N 0 2 342.311 2.530 20 5 EFBDLN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000447070871 476948176 /nfs/dbraw/zinc/94/81/76/476948176.db2.gz YKNKTCAJHKYDOY-UHFFFAOYSA-N 0 2 332.360 2.593 20 5 EFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(F)(c2cccnc2)CC1 ZINC000375910113 477078308 /nfs/dbraw/zinc/07/83/08/477078308.db2.gz QPOOJVCEXSGONP-UHFFFAOYSA-N 0 2 345.330 2.796 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2c(s1)CCC2 ZINC000457917576 477255988 /nfs/dbraw/zinc/25/59/88/477255988.db2.gz KWMGFGASAYXVJG-QMMMGPOBSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(NCc1ncoc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000376320690 477281830 /nfs/dbraw/zinc/28/18/30/477281830.db2.gz JFNDDNWKDQJKAD-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)OCCc2sccc21 ZINC000436593506 477527351 /nfs/dbraw/zinc/52/73/51/477527351.db2.gz BGLHBUFXQMCYJL-MRXNPFEDSA-N 0 2 348.380 2.580 20 5 EFBDLN COc1ccc(C)cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436673324 477554338 /nfs/dbraw/zinc/55/43/38/477554338.db2.gz IQVWRKFDKJPVHQ-UHFFFAOYSA-N 0 2 330.340 2.590 20 5 EFBDLN O=C(NCCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436671000 477554551 /nfs/dbraw/zinc/55/45/51/477554551.db2.gz TWNHWJOAMAWUFW-UHFFFAOYSA-N 0 2 334.303 2.638 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc2n[nH]cc2c1 ZINC000436700589 477563910 /nfs/dbraw/zinc/56/39/10/477563910.db2.gz WSRDUBDKLVPRMA-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436743285 477577589 /nfs/dbraw/zinc/57/75/89/477577589.db2.gz ZPZRHIKMFCBPSD-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN CCN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436809012 477595453 /nfs/dbraw/zinc/59/54/53/477595453.db2.gz NSRJYMPZZXTHKV-UHFFFAOYSA-N 0 2 343.339 2.645 20 5 EFBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1C ZINC000436855256 477613421 /nfs/dbraw/zinc/61/34/21/477613421.db2.gz IMJHOTPIBACWGO-UHFFFAOYSA-N 0 2 332.312 2.878 20 5 EFBDLN O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436860155 477616618 /nfs/dbraw/zinc/61/66/18/477616618.db2.gz FDEMSNQWNRHECK-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)cc1C ZINC000436891837 477627158 /nfs/dbraw/zinc/62/71/58/477627158.db2.gz HJQYNIQWRCMLIO-UHFFFAOYSA-N 0 2 344.323 2.956 20 5 EFBDLN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436891599 477627624 /nfs/dbraw/zinc/62/76/24/477627624.db2.gz XUPVNVOOTLVVHY-CVEARBPZSA-N 0 2 342.351 2.985 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc([S@](C)=O)cc1 ZINC000436900517 477630093 /nfs/dbraw/zinc/63/00/93/477630093.db2.gz NURADIXFBPAUBG-ZZDSUILFSA-N 0 2 348.380 2.529 20 5 EFBDLN O=C(NCc1ncoc1-c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367683101 477635759 /nfs/dbraw/zinc/63/57/59/477635759.db2.gz CGXGGAPAZBVYBB-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN COCCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000436950324 477644535 /nfs/dbraw/zinc/64/45/35/477644535.db2.gz BZJSQQGMSWKNFK-UHFFFAOYSA-N 0 2 346.339 2.886 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377102063 477645038 /nfs/dbraw/zinc/64/50/38/477645038.db2.gz WIXDBTWSVSPDPO-AYVTZFPOSA-N 0 2 332.287 2.692 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377102067 477645694 /nfs/dbraw/zinc/64/56/94/477645694.db2.gz WIXDBTWSVSPDPO-VXJOIVPMSA-N 0 2 332.287 2.692 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccccc2)C1 ZINC000436957027 477647546 /nfs/dbraw/zinc/64/75/46/477647546.db2.gz VKGCOCQEXRGZKN-INIZCTEOSA-N 0 2 328.324 2.514 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccccc2)C1 ZINC000436957028 477647801 /nfs/dbraw/zinc/64/78/01/477647801.db2.gz VKGCOCQEXRGZKN-MRXNPFEDSA-N 0 2 328.324 2.514 20 5 EFBDLN CCOc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1OC ZINC000436960121 477649174 /nfs/dbraw/zinc/64/91/74/477649174.db2.gz PRBDMMSXBKTJSB-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN COc1ccccc1C1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436965664 477650358 /nfs/dbraw/zinc/65/03/58/477650358.db2.gz LIWLGEOAGHIQRN-UHFFFAOYSA-N 0 2 342.351 2.771 20 5 EFBDLN COc1ccc(OCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436964319 477650808 /nfs/dbraw/zinc/65/08/08/477650808.db2.gz IDMFEMDMCYZLNB-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN O=C(NCCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1O ZINC000436967396 477653089 /nfs/dbraw/zinc/65/30/89/477653089.db2.gz SHWBYLAIPDOFBD-UHFFFAOYSA-N 0 2 337.335 2.821 20 5 EFBDLN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436967127 477653187 /nfs/dbraw/zinc/65/31/87/477653187.db2.gz XGENGZUTCMXBCS-SJORKVTESA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436967120 477653228 /nfs/dbraw/zinc/65/32/28/477653228.db2.gz XGENGZUTCMXBCS-DLBZAZTESA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000436974521 477654853 /nfs/dbraw/zinc/65/48/53/477654853.db2.gz ZJLLSEJPHACXOX-ZANVPECISA-N 0 2 334.278 2.865 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000437299400 477691686 /nfs/dbraw/zinc/69/16/86/477691686.db2.gz TZYYVQZSRCJARU-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000437610056 477727443 /nfs/dbraw/zinc/72/74/43/477727443.db2.gz BIJJXLDJGZAHDZ-NSHDSACASA-N 0 2 345.355 3.000 20 5 EFBDLN CC[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)F ZINC000451084951 477816371 /nfs/dbraw/zinc/81/63/71/477816371.db2.gz RRCNYRFGNSXYST-ZETCQYMHSA-N 0 2 328.724 2.570 20 5 EFBDLN Cc1c2ccc(NC(=O)c3cccc(O)c3[N+](=O)[O-])cc2nn1C ZINC000428607315 477940143 /nfs/dbraw/zinc/94/01/43/477940143.db2.gz NZKGBXPZDJQLNN-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nn1C(C)C ZINC000421174697 477996152 /nfs/dbraw/zinc/99/61/52/477996152.db2.gz OSKGSPMUDSEICB-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nn1C(C)C ZINC000421187693 478001019 /nfs/dbraw/zinc/00/10/19/478001019.db2.gz WHCDQDBXIOKSGZ-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cccc2c1OCC2 ZINC000421249672 478019439 /nfs/dbraw/zinc/01/94/39/478019439.db2.gz MMRVWDHNOILNNA-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN Cc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc1 ZINC000600307675 478332275 /nfs/dbraw/zinc/33/22/75/478332275.db2.gz HGCVUWSEZKEVCT-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nccc(C3CC3)n2)c1[N+](=O)[O-] ZINC000600667827 478459057 /nfs/dbraw/zinc/45/90/57/478459057.db2.gz NNMCSWVNAKZDGS-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2noc(C(C)C)n2)c1C ZINC000540894910 478502938 /nfs/dbraw/zinc/50/29/38/478502938.db2.gz MSTLWJWXROIIMC-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000598301635 478753981 /nfs/dbraw/zinc/75/39/81/478753981.db2.gz ZGUXHKHRWMTOMX-INIZCTEOSA-N 0 2 334.372 2.722 20 5 EFBDLN CN(c1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000598378798 478795035 /nfs/dbraw/zinc/79/50/35/478795035.db2.gz KXVDMEIVAXJSFU-HNNXBMFYSA-N 0 2 341.367 2.651 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000592351137 478865582 /nfs/dbraw/zinc/86/55/82/478865582.db2.gz XQOVZTMUDJVUDY-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)o1 ZINC000592381944 478875676 /nfs/dbraw/zinc/87/56/76/478875676.db2.gz AIJHXNSTANPSNG-UHFFFAOYSA-N 0 2 325.346 2.508 20 5 EFBDLN O=C([O-])c1cc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000565256456 478966263 /nfs/dbraw/zinc/96/62/63/478966263.db2.gz ZBGQOHUJSFYREX-UHFFFAOYSA-N 0 2 334.353 2.749 20 5 EFBDLN O=C([O-])c1cc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cs1 ZINC000565256456 478966266 /nfs/dbraw/zinc/96/62/66/478966266.db2.gz ZBGQOHUJSFYREX-UHFFFAOYSA-N 0 2 334.353 2.749 20 5 EFBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000573270306 479030078 /nfs/dbraw/zinc/03/00/78/479030078.db2.gz NUIMVHUQOUKZHG-UHFFFAOYSA-N 0 2 345.340 2.708 20 5 EFBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596051979 479108824 /nfs/dbraw/zinc/10/88/24/479108824.db2.gz WCYXLJOHGIEABA-BJOHPYRUSA-N 0 2 344.314 2.538 20 5 EFBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596051979 479108832 /nfs/dbraw/zinc/10/88/32/479108832.db2.gz WCYXLJOHGIEABA-BJOHPYRUSA-N 0 2 344.314 2.538 20 5 EFBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596051980 479109159 /nfs/dbraw/zinc/10/91/59/479109159.db2.gz WCYXLJOHGIEABA-PSLIRLAXSA-N 0 2 344.314 2.538 20 5 EFBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596051980 479109162 /nfs/dbraw/zinc/10/91/62/479109162.db2.gz WCYXLJOHGIEABA-PSLIRLAXSA-N 0 2 344.314 2.538 20 5 EFBDLN Cc1c(CN=c2ccc(OCC(F)(F)F)n[nH]2)cccc1[N+](=O)[O-] ZINC000596205649 479197493 /nfs/dbraw/zinc/19/74/93/479197493.db2.gz CSINDZALUJFVPV-UHFFFAOYSA-N 0 2 342.277 2.668 20 5 EFBDLN CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C ZINC000569976279 479220397 /nfs/dbraw/zinc/22/03/97/479220397.db2.gz GMLBXJHZAPVGRZ-ZDUSSCGKSA-N 0 2 338.360 2.853 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC=C(c2cccnc2)C1 ZINC000556884225 479232148 /nfs/dbraw/zinc/23/21/48/479232148.db2.gz OPYIHEVBTKFOCT-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1noc(-c2cccc(F)c2)n1 ZINC000611294721 479340105 /nfs/dbraw/zinc/34/01/05/479340105.db2.gz DLNYBDWPDIWAKT-UHFFFAOYSA-N 0 2 344.258 2.742 20 5 EFBDLN Cc1[nH]nc(C(F)(F)F)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000611294740 479340467 /nfs/dbraw/zinc/34/04/67/479340467.db2.gz XYQHLAQFFMJIFB-UHFFFAOYSA-N 0 2 330.222 2.603 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)c(Cl)c1 ZINC000575002646 479388112 /nfs/dbraw/zinc/38/81/12/479388112.db2.gz SMFXWPGLWMKFJT-UHFFFAOYSA-N 0 2 342.764 2.650 20 5 EFBDLN COCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000604097973 479472686 /nfs/dbraw/zinc/47/26/86/479472686.db2.gz FROFMWCQZLAKAG-UHFFFAOYSA-N 0 2 346.339 2.716 20 5 EFBDLN COc1ccc2c(c1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000612342928 479649446 /nfs/dbraw/zinc/64/94/46/479649446.db2.gz CBAKDENTLYLSJT-ZDUSSCGKSA-N 0 2 342.351 2.596 20 5 EFBDLN CC(C)(CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000619254990 479734891 /nfs/dbraw/zinc/73/48/91/479734891.db2.gz SDCUAXZSPVRIKM-INIZCTEOSA-N 0 2 344.367 2.790 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cscc1C ZINC000619467766 479802031 /nfs/dbraw/zinc/80/20/31/479802031.db2.gz CAYKNEGOKGBQQU-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN CCN(C)C(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089541149 520222191 /nfs/dbraw/zinc/22/21/91/520222191.db2.gz AKFVUYPZDDAAOL-UHFFFAOYSA-N 0 2 343.339 2.645 20 5 EFBDLN CN(CCOCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155456723 522901138 /nfs/dbraw/zinc/90/11/38/522901138.db2.gz NSTVUYOZVLKFIX-UHFFFAOYSA-N 0 2 330.340 2.589 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000119663161 522981326 /nfs/dbraw/zinc/98/13/26/522981326.db2.gz CTOKJOOBENEYGD-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C)c1F ZINC000181062897 522981894 /nfs/dbraw/zinc/98/18/94/522981894.db2.gz YRJZCWMBQOPRET-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCc1ccc([C@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000182032275 524056533 /nfs/dbraw/zinc/05/65/33/524056533.db2.gz ZJPIAZSALKUDTE-CQSZACIVSA-N 0 2 346.339 2.670 20 5 EFBDLN Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000151000896 524892829 /nfs/dbraw/zinc/89/28/29/524892829.db2.gz LGHVAEJISNXCDV-CQSZACIVSA-N 0 2 327.340 2.981 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1F ZINC000121431716 524928791 /nfs/dbraw/zinc/92/87/91/524928791.db2.gz HELBEJVJGFYBAW-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1 ZINC000078677382 525084060 /nfs/dbraw/zinc/08/40/60/525084060.db2.gz TVMSZTRDFKODKP-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000119588193 525295889 /nfs/dbraw/zinc/29/58/89/525295889.db2.gz ZYENJMDKNKOUBR-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340544010 534896627 /nfs/dbraw/zinc/89/66/27/534896627.db2.gz FAJWTNRIDBDARL-NSHDSACASA-N 0 2 344.323 2.909 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000116603570 526042820 /nfs/dbraw/zinc/04/28/20/526042820.db2.gz FQWZNAYZHUAZSU-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](Nc2ccccc2)C1 ZINC000179477493 526630224 /nfs/dbraw/zinc/63/02/24/526630224.db2.gz DNUPTKXUXHENCT-ZDUSSCGKSA-N 0 2 327.340 2.627 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000067177448 526713138 /nfs/dbraw/zinc/71/31/38/526713138.db2.gz KDMGDTDGPIQMAJ-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c3ccccc3[nH]c2C1 ZINC000089926858 526714081 /nfs/dbraw/zinc/71/40/81/526714081.db2.gz OEDDTYUSVHHHQN-UHFFFAOYSA-N 0 2 337.335 2.980 20 5 EFBDLN O=C(N[C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185775038 526992286 /nfs/dbraw/zinc/99/22/86/526992286.db2.gz JWMNGFSSXJSMNN-CQSZACIVSA-N 0 2 330.340 2.544 20 5 EFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000181329941 527366754 /nfs/dbraw/zinc/36/67/54/527366754.db2.gz RPEQFUFIPGOJKW-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cn2)c(Cl)c1 ZINC000069675644 527377202 /nfs/dbraw/zinc/37/72/02/527377202.db2.gz ONICTLQXHLVWRX-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN CC(C)c1nnc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cn21 ZINC000189087742 528469937 /nfs/dbraw/zinc/46/99/37/528469937.db2.gz ZJSKWKFMMRBMAY-UHFFFAOYSA-N 0 2 341.327 2.719 20 5 EFBDLN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345023638 536567779 /nfs/dbraw/zinc/56/77/79/536567779.db2.gz GRLHNJNATHXLPL-MGPLVRAMSA-N 0 2 348.330 2.946 20 5 EFBDLN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345023637 536671537 /nfs/dbraw/zinc/67/15/37/536671537.db2.gz GRLHNJNATHXLPL-HWPZZCPQSA-N 0 2 348.330 2.946 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170004965 564104641 /nfs/dbraw/zinc/10/46/41/564104641.db2.gz LCPCIFRFVQYIQT-WMLDXEAASA-N 0 2 342.351 2.808 20 5 EFBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NOCC(F)F ZINC000760142627 575983818 /nfs/dbraw/zinc/98/38/18/575983818.db2.gz QTYOWCUFGINNJA-UHFFFAOYSA-N 0 2 326.708 2.653 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(C2OCCO2)c1 ZINC000770856849 581142231 /nfs/dbraw/zinc/14/22/31/581142231.db2.gz NKGRWSFDQSJPIM-UHFFFAOYSA-N 0 2 330.296 2.598 20 5 EFBDLN CCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000771994042 581268764 /nfs/dbraw/zinc/26/87/64/581268764.db2.gz QKSBEMRPDHRYFS-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000736606519 599853923 /nfs/dbraw/zinc/85/39/23/599853923.db2.gz GLKLCUPLGDUHMA-OGOUPESXSA-N 0 2 330.344 2.637 20 5 EFBDLN O=C([O-])[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1F ZINC000833170342 601354087 /nfs/dbraw/zinc/35/40/87/601354087.db2.gz SOVPKLGJXFWFGY-AWEZNQCLSA-N 0 2 340.257 2.928 20 5 EFBDLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000821508620 604525398 /nfs/dbraw/zinc/52/53/98/604525398.db2.gz CAWOGGPOPXEJII-CYBMUJFWSA-N 0 2 333.369 2.767 20 5 EFBDLN O=C([O-])[C@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000821508620 604525406 /nfs/dbraw/zinc/52/54/06/604525406.db2.gz CAWOGGPOPXEJII-CYBMUJFWSA-N 0 2 333.369 2.767 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833221364 604788957 /nfs/dbraw/zinc/78/89/57/604788957.db2.gz JTYIZBCDVHIYFO-SNVBAGLBSA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833221364 604788963 /nfs/dbraw/zinc/78/89/63/604788963.db2.gz JTYIZBCDVHIYFO-SNVBAGLBSA-N 0 2 330.793 2.640 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000819998946 1276987429 /nfs/dbraw/zinc/98/74/29/1276987429.db2.gz LOGAEROBNVNDKY-UHFFFAOYSA-N 0 2 347.283 2.860 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2ocnc21 ZINC000790004127 1277163772 /nfs/dbraw/zinc/16/37/72/1277163772.db2.gz AKHZMHUJOUCKOV-UHFFFAOYSA-N 0 2 333.325 2.845 20 5 EFBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](O)c1ccccc1 ZINC000790401169 1277539980 /nfs/dbraw/zinc/53/99/80/1277539980.db2.gz KBIXATZCUCDKEZ-IRXDYDNUSA-N 0 2 344.367 2.788 20 5 EFBDLN C[C@H](CC(=O)O[C@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])n1cc[nH+]c1 ZINC000845882332 1279904703 /nfs/dbraw/zinc/90/47/03/1279904703.db2.gz SRRJKLISPKCXFS-HSMVNMDESA-N 0 2 335.335 2.923 20 5 EFBDLN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805255802 1280498892 /nfs/dbraw/zinc/49/88/92/1280498892.db2.gz YOOBXKALKXYWGA-UHFFFAOYSA-N 0 2 325.683 2.927 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1(F)CCCCC1 ZINC000810343539 1283165306 /nfs/dbraw/zinc/16/53/06/1283165306.db2.gz JQVVRKDXWTYYBU-UHFFFAOYSA-N 0 2 333.323 2.991 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000037326202 1285385774 /nfs/dbraw/zinc/38/57/74/1285385774.db2.gz XZBFOZISQAXTML-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](O)c1ccc(Cl)cc1F ZINC000813499635 1285970250 /nfs/dbraw/zinc/97/02/50/1285970250.db2.gz XIPIHHZCAJKHHG-CYBMUJFWSA-N 0 2 340.694 2.765 20 5 EFBDLN Cc1cccc(-c2noc(-c3[nH]nc(C(F)(F)F)c3[N+](=O)[O-])n2)n1 ZINC001212972725 1297307782 /nfs/dbraw/zinc/30/77/82/1297307782.db2.gz HAIVSKVHEXRTIB-UHFFFAOYSA-N 0 2 340.221 2.757 20 5 EFBDLN Cc1cccnc1-c1noc(-c2[nH]nc(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973172 1297333401 /nfs/dbraw/zinc/33/34/01/1297333401.db2.gz UDDXSXPSNYJCGU-UHFFFAOYSA-N 0 2 340.221 2.757 20 5 EFBDLN Cc1cc(Cl)c(S(=O)(=O)N(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000083981711 1298726813 /nfs/dbraw/zinc/72/68/13/1298726813.db2.gz GAKXNCJFGNFEOA-UHFFFAOYSA-N 0 2 341.776 2.777 20 5 EFBDLN O=C1C(=Cc2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1C1CCCCC1 ZINC000748307968 1313861636 /nfs/dbraw/zinc/86/16/36/1313861636.db2.gz QNYTXYLJCYQRFX-XYOKQWHBSA-N 0 2 347.396 2.691 20 5 EFBDLN CC[C@H](C)CONC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000794840982 1303282728 /nfs/dbraw/zinc/28/27/28/1303282728.db2.gz BJANTQIUDLTTLN-NSHDSACASA-N 0 2 342.417 2.931 20 5 EFBDLN CCOC(=O)[C@H](C)[C@H](Oc1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC001225623567 1311555421 /nfs/dbraw/zinc/55/54/21/1311555421.db2.gz PYPKJXQSDHWHJV-HQJQHLMTSA-N 0 2 337.250 2.809 20 5 EFBDLN COc1ccccc1[C@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625077 1311832717 /nfs/dbraw/zinc/83/27/17/1311832717.db2.gz NYKSCNNFUBOXIC-QMMMGPOBSA-N 0 2 337.357 2.961 20 5 EFBDLN CSc1nc(O[C@@H]2CCc3ccccc3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624855 1311833064 /nfs/dbraw/zinc/83/30/64/1311833064.db2.gz HHJSXEYSLLMFAI-LLVKDONJSA-N 0 2 333.369 2.749 20 5 EFBDLN CO[C@H](C)CCOc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228686687 1311981764 /nfs/dbraw/zinc/98/17/64/1311981764.db2.gz OSYOOIQIVPDVBF-LLVKDONJSA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OCCOC(C)C)c3nc2cc1C ZINC001228685838 1311981825 /nfs/dbraw/zinc/98/18/25/1311981825.db2.gz IUFPCUKLBDYBHR-UHFFFAOYSA-N 0 2 328.372 2.699 20 5 EFBDLN CC/C=C\CCOC(=O)[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228970926 1312029455 /nfs/dbraw/zinc/02/94/55/1312029455.db2.gz LCLPZANABHTOLN-UMCURTJPSA-N 0 2 325.317 2.673 20 5 EFBDLN COc1ccc(OC[C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228975020 1312030124 /nfs/dbraw/zinc/03/01/24/1312030124.db2.gz XGIKZOPHMKAASO-JTQLQIEISA-N 0 2 335.312 2.861 20 5 EFBDLN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1nc(C)ncc1[N+](=O)[O-] ZINC001163111366 1312243902 /nfs/dbraw/zinc/24/39/02/1312243902.db2.gz RPURKAWJCXETFC-UHFFFAOYSA-N 0 2 326.316 2.637 20 5 EFBDLN COc1cnc(Nc2c(C)c(=O)[nH]n2-c2ccccc2)c([N+](=O)[O-])c1 ZINC001163111066 1312243942 /nfs/dbraw/zinc/24/39/42/1312243942.db2.gz MAWHZWVHOWONHV-UHFFFAOYSA-N 0 2 341.327 2.942 20 5 EFBDLN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001163115490 1312244210 /nfs/dbraw/zinc/24/42/10/1312244210.db2.gz DXYAEZFJXWBZIH-UHFFFAOYSA-N 0 2 326.316 2.637 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc(N)c(Cl)c2)c([N+](=O)[O-])c1 ZINC001214171371 1314654101 /nfs/dbraw/zinc/65/41/01/1314654101.db2.gz DUAVWVRRNBPLMK-UHFFFAOYSA-N 0 2 341.776 2.940 20 5 EFBDLN Cc1cc(C)c(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)cn1 ZINC001247987581 1314879181 /nfs/dbraw/zinc/87/91/81/1314879181.db2.gz MXYSIGQBASDORQ-UHFFFAOYSA-N 0 2 326.312 2.953 20 5 EFBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001216678458 1314991904 /nfs/dbraw/zinc/99/19/04/1314991904.db2.gz FNTLIRGTBRZYJG-UHFFFAOYSA-N 0 2 327.252 2.746 20 5 EFBDLN COc1nccc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1F ZINC001216682128 1314992674 /nfs/dbraw/zinc/99/26/74/1314992674.db2.gz GGKSIDPRERAPTN-UHFFFAOYSA-N 0 2 332.247 2.560 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(F)cc(F)c2O)n1 ZINC001216785946 1315007201 /nfs/dbraw/zinc/00/72/01/1315007201.db2.gz VRDUZQUDKUZKNB-UHFFFAOYSA-N 0 2 338.201 2.830 20 5 EFBDLN COc1cc(-c2nc(-c3ccnc(C)c3)no2)cc([N+](=O)[O-])c1O ZINC001216837405 1315013914 /nfs/dbraw/zinc/01/39/14/1315013914.db2.gz VZDWEQBPMLMQFX-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1cc(-c2nc(-c3cnccc3C)no2)cc([N+](=O)[O-])c1O ZINC001216836961 1315014039 /nfs/dbraw/zinc/01/40/39/1315014039.db2.gz DECAQDJLNBBWLC-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cn1ncc2cc(-c3noc(-c4c(O)cccc4[N+](=O)[O-])n3)ccc21 ZINC001216845363 1315014562 /nfs/dbraw/zinc/01/45/62/1315014562.db2.gz KYHNEHDGOCNHAV-UHFFFAOYSA-N 0 2 337.295 2.904 20 5 EFBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001216845524 1315014579 /nfs/dbraw/zinc/01/45/79/1315014579.db2.gz SSKZFCNPOZWWJC-UHFFFAOYSA-N 0 2 341.279 2.789 20 5 EFBDLN COc1cc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)ccn1 ZINC001216856545 1315016500 /nfs/dbraw/zinc/01/65/00/1315016500.db2.gz BIKTXRGDYZNNLD-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN C[C@@H]1CN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)[C@@H](C)[C@H]1C ZINC001262902766 1316501450 /nfs/dbraw/zinc/50/14/50/1316501450.db2.gz OZJDDEOZYAMGOE-VWYCJHECSA-N 0 2 331.376 2.577 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCCC(C)(C)C1 ZINC001338561951 1331716122 /nfs/dbraw/zinc/71/61/22/1331716122.db2.gz RSOGPJHUTBFSJE-UHFFFAOYSA-N 0 2 331.376 2.722 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCSC1 ZINC001341197228 1332241804 /nfs/dbraw/zinc/24/18/04/1332241804.db2.gz VATSUHMGBHIQLE-NSHDSACASA-N 0 2 349.416 2.521 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001341311073 1332250474 /nfs/dbraw/zinc/25/04/74/1332250474.db2.gz PDBSAWNWVXYAHJ-PHIMTYICSA-N 0 2 331.376 2.671 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(cc1Cl)NC(=O)C2 ZINC001341619881 1332271322 /nfs/dbraw/zinc/27/13/22/1332271322.db2.gz XJTFGFIMMHEYCF-UHFFFAOYSA-N 0 2 347.714 2.701 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001355662509 1334843994 /nfs/dbraw/zinc/84/39/94/1334843994.db2.gz ZXICRTDRLFFVNT-ZDUSSCGKSA-N 0 2 343.387 2.722 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2c[nH]nc2C2CC2)ccc1Cl ZINC000849337293 1335594070 /nfs/dbraw/zinc/59/40/70/1335594070.db2.gz UKSAWSOIDDPOIQ-UHFFFAOYSA-N 0 2 342.764 2.650 20 5 EFBDLN O=[N+]([O-])c1ccccc1C[N@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826500136 1428409554 /nfs/dbraw/zinc/40/95/54/1428409554.db2.gz MJQGNOBHUZZLSM-UHFFFAOYSA-N 0 2 340.343 2.533 20 5 EFBDLN O=[N+]([O-])c1ccccc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CC1 ZINC000826500136 1428409557 /nfs/dbraw/zinc/40/95/57/1428409557.db2.gz MJQGNOBHUZZLSM-UHFFFAOYSA-N 0 2 340.343 2.533 20 5 EFBDLN CCCc1csc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000120101197 712919342 /nfs/dbraw/zinc/91/93/42/712919342.db2.gz SPDRGQRWPJGYAY-UHFFFAOYSA-N 0 2 333.416 2.866 20 5 EFBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120238153 713024334 /nfs/dbraw/zinc/02/43/34/713024334.db2.gz LIZUOTBHJYZYEJ-UHFFFAOYSA-N 0 2 338.370 2.642 20 5 EFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCc2ccccc21 ZINC000180765896 718374995 /nfs/dbraw/zinc/37/49/95/718374995.db2.gz YCIJXEPCTRCBOV-LLVKDONJSA-N 0 2 327.340 2.690 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(F)cc(Br)c2)no1 ZINC000842490429 725576796 /nfs/dbraw/zinc/57/67/96/725576796.db2.gz KLFSYJKUKODRHD-RKDXNWHRSA-N 0 2 328.097 2.771 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)nc2)c(Cl)c1 ZINC000152794380 726262308 /nfs/dbraw/zinc/26/23/08/726262308.db2.gz YZVGDMBSNAPAOT-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1[N+](=O)[O-] ZINC000055572230 727947548 /nfs/dbraw/zinc/94/75/48/727947548.db2.gz HSCRBVOHDOYHGV-UHFFFAOYSA-N 0 2 345.739 2.770 20 5 EFBDLN O=C([O-])C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC001595072739 951612101 /nfs/dbraw/zinc/61/21/01/951612101.db2.gz HYTCPGWNRDKTRD-UHFFFAOYSA-N 0 2 331.328 2.546 20 5 EFBDLN O=C([O-])C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC001595072739 951612106 /nfs/dbraw/zinc/61/21/06/951612106.db2.gz HYTCPGWNRDKTRD-UHFFFAOYSA-N 0 2 331.328 2.546 20 5 EFBDLN O=C([O-])[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001574621362 962252793 /nfs/dbraw/zinc/25/27/93/962252793.db2.gz PHYXVMDGDAYYIN-AWEZNQCLSA-N 0 2 340.257 2.928 20 5 EFBDLN CCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)[O-] ZINC001595645904 981994091 /nfs/dbraw/zinc/99/40/91/981994091.db2.gz WINMQIWSHXZQPH-CQSZACIVSA-N 0 2 347.327 2.581 20 5 EFBDLN CCc1[nH]c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC001597387012 987611948 /nfs/dbraw/zinc/61/19/48/987611948.db2.gz TWLXHMZSHHHTKA-UHFFFAOYSA-N 0 2 329.356 2.742 20 5 EFBDLN CCc1[nH]c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC001597387012 987611952 /nfs/dbraw/zinc/61/19/52/987611952.db2.gz TWLXHMZSHHHTKA-UHFFFAOYSA-N 0 2 329.356 2.742 20 5 EFBDLN CC(C)(CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001590774343 990577805 /nfs/dbraw/zinc/57/78/05/990577805.db2.gz RLYQVNXFZGUHOM-XQRVVYSFSA-N 0 2 330.344 2.736 20 5 EFBDLN C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598518226 992645411 /nfs/dbraw/zinc/64/54/11/992645411.db2.gz VAYVOTWCXVWHFL-UHFFFAOYSA-N 0 2 335.747 2.973 20 5 EFBDLN C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598518226 992645412 /nfs/dbraw/zinc/64/54/12/992645412.db2.gz VAYVOTWCXVWHFL-UHFFFAOYSA-N 0 2 335.747 2.973 20 5 EFBDLN Cc1ccc(C[N@@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600414521 1095047705 /nfs/dbraw/zinc/04/77/05/1095047705.db2.gz WEDIHSRZARJBDF-UHFFFAOYSA-N 0 2 342.351 2.996 20 5 EFBDLN Cc1ccc(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC001600414521 1095047719 /nfs/dbraw/zinc/04/77/19/1095047719.db2.gz WEDIHSRZARJBDF-UHFFFAOYSA-N 0 2 342.351 2.996 20 5 EFBDLN Cc1c[nH+]c(C)c(NCc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001600618167 1095215023 /nfs/dbraw/zinc/21/50/23/1095215023.db2.gz LFWLUAGBEYIDBT-UHFFFAOYSA-N 0 2 331.328 2.682 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601875409 1095949751 /nfs/dbraw/zinc/94/97/51/1095949751.db2.gz SATMKEWWZYHTTN-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601875409 1095949762 /nfs/dbraw/zinc/94/97/62/1095949762.db2.gz SATMKEWWZYHTTN-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])c1cccc2c1CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001602456571 1096255326 /nfs/dbraw/zinc/25/53/26/1096255326.db2.gz CLSMCZDMFLMNJD-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001602456571 1096255332 /nfs/dbraw/zinc/25/53/32/1096255332.db2.gz CLSMCZDMFLMNJD-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN COc1cccc([C@@H](C(=O)[O-])[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001607312446 1097595833 /nfs/dbraw/zinc/59/58/33/1097595833.db2.gz PULZAXKAPSFBFE-INIZCTEOSA-N 0 2 328.324 2.745 20 5 EFBDLN COc1cccc([C@@H](C(=O)[O-])[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001607312446 1097595838 /nfs/dbraw/zinc/59/58/38/1097595838.db2.gz PULZAXKAPSFBFE-INIZCTEOSA-N 0 2 328.324 2.745 20 5 EFBDLN Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607669525 1097695475 /nfs/dbraw/zinc/69/54/75/1097695475.db2.gz LNCPYAHAARTFCF-GFCCVEGCSA-N 0 2 330.344 2.639 20 5 EFBDLN CC(C)(C)c1ccc(Cn2nccc2NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840312374 1100998869 /nfs/dbraw/zinc/99/88/69/1100998869.db2.gz STSMTKGNRLUKLM-HUUCEWRRSA-N 0 2 342.399 2.833 20 5 EFBDLN COc1ncc([N+](=O)[O-])c(N[C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168477815 1111339054 /nfs/dbraw/zinc/33/90/54/1111339054.db2.gz MRSNKAMHTHQWJQ-VIFPVBQESA-N 0 2 329.238 2.504 20 5 EFBDLN O=C(N[C@H]1CCCOc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436672037 303961881 /nfs/dbraw/zinc/96/18/81/303961881.db2.gz XTERFBBVMNJKKT-AWEZNQCLSA-N 0 2 328.324 2.944 20 5 EFBDLN O=C(N[C@H]1COc2cccc(Cl)c21)c1cc([N+](=O)[O-])ccc1O ZINC000436773451 303987925 /nfs/dbraw/zinc/98/79/25/303987925.db2.gz JHUJDVPCIDSOIY-NSHDSACASA-N 0 2 334.715 2.817 20 5 EFBDLN CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)[C@H]1OC ZINC000356973071 282440273 /nfs/dbraw/zinc/44/02/73/282440273.db2.gz HRLAJOLODKRMMG-COLVAYQJSA-N 0 2 336.388 2.870 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccnn2C(C)C)c1C ZINC000066248432 215026863 /nfs/dbraw/zinc/02/68/63/215026863.db2.gz FCSXQZONKWOQOA-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129640821 223076368 /nfs/dbraw/zinc/07/63/68/223076368.db2.gz NPUJQBVMCJZASI-YOEHRIQHSA-N 0 2 330.388 2.753 20 5 EFBDLN O=C(Nc1cccc(OCC(F)F)n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000165429820 239122405 /nfs/dbraw/zinc/12/24/05/239122405.db2.gz TVSLFYYOSFHUCI-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN O=C1CCCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000175011698 239252779 /nfs/dbraw/zinc/25/27/79/239252779.db2.gz YZLQOCASQDJKQA-UHFFFAOYSA-N 0 2 346.364 2.915 20 5 EFBDLN O=C(N[C@@H](CCCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000182122875 239531095 /nfs/dbraw/zinc/53/10/95/239531095.db2.gz HVBVTVGIQOWWOG-HNNXBMFYSA-N 0 2 330.340 2.544 20 5 EFBDLN CO[C@](C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000192192391 240031680 /nfs/dbraw/zinc/03/16/80/240031680.db2.gz SEEHGHOFHUQWJE-INIZCTEOSA-N 0 2 334.303 2.940 20 5 EFBDLN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000194745830 240173855 /nfs/dbraw/zinc/17/38/55/240173855.db2.gz PBACRSAUZGXSNL-CYBMUJFWSA-N 0 2 341.367 2.557 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)c(Cl)c1 ZINC000414388236 244124631 /nfs/dbraw/zinc/12/46/31/244124631.db2.gz YKSVHNCCEBVAIR-UHFFFAOYSA-N 0 2 343.748 2.914 20 5 EFBDLN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1ccccc1F ZINC000436668600 249567216 /nfs/dbraw/zinc/56/72/16/249567216.db2.gz CZJAOCDRZDEJEW-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436815680 249603055 /nfs/dbraw/zinc/60/30/55/249603055.db2.gz WYLRJGSBKOISRZ-AWEZNQCLSA-N 0 2 344.367 2.714 20 5 EFBDLN COC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000436960589 249639535 /nfs/dbraw/zinc/63/95/35/249639535.db2.gz KGTAWIZSUVPCEB-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc2[nH]ncc21 ZINC000442246081 250074802 /nfs/dbraw/zinc/07/48/02/250074802.db2.gz XFEGMXMDRRZGCT-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc2occc2[nH]1 ZINC000095449381 218393663 /nfs/dbraw/zinc/39/36/63/218393663.db2.gz LUZVBMCUMCAURI-UHFFFAOYSA-N 0 2 338.283 2.707 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC000451047228 251432971 /nfs/dbraw/zinc/43/29/71/251432971.db2.gz BIOYMUFKHHJYQI-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000007053258 208577637 /nfs/dbraw/zinc/57/76/37/208577637.db2.gz RZRPSXBMAKRLLF-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1C ZINC000174646786 533229653 /nfs/dbraw/zinc/22/96/53/533229653.db2.gz BNRGVCXTVBILAN-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc2[nH]ncc21 ZINC000346446505 142205475 /nfs/dbraw/zinc/20/54/75/142205475.db2.gz AUODCWIRIRUVHX-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc(=NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)[nH]nc1C ZINC000343552881 145236080 /nfs/dbraw/zinc/23/60/80/145236080.db2.gz KGJCIZYUYWXMOF-UHFFFAOYSA-N 0 2 343.387 2.866 20 5 EFBDLN CCc1cccnc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351612206 146158410 /nfs/dbraw/zinc/15/84/10/146158410.db2.gz VFPHBYNRBUEUJC-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2nc3ccc(F)cc3s2)[nH]1 ZINC000352012538 146264170 /nfs/dbraw/zinc/26/41/70/146264170.db2.gz BMQVHKCLFAJACI-ARJAWSKDSA-N 0 2 334.288 2.715 20 5 EFBDLN Cc1ccc(-c2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])co2)cc1 ZINC000352021027 146266795 /nfs/dbraw/zinc/26/67/95/146266795.db2.gz LQRVJNOKZSEWOU-VOTSOKGWSA-N 0 2 340.295 2.930 20 5 EFBDLN O=c1cc(C=Cc2ccc([N+](=O)[O-])c(O)c2)nc(-c2ccncc2)[nH]1 ZINC000352021069 146267003 /nfs/dbraw/zinc/26/70/03/146267003.db2.gz MIYNGDUJCMGFNP-IWQZZHSRSA-N 0 2 336.307 2.616 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Br)s2)[nH]1 ZINC000352022328 146267177 /nfs/dbraw/zinc/26/71/77/146267177.db2.gz XAZARPZSBDYFBR-HNQUOIGGSA-N 0 2 344.146 2.790 20 5 EFBDLN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356329437 147213968 /nfs/dbraw/zinc/21/39/68/147213968.db2.gz AXYPGFVDVRNFDW-UHFFFAOYSA-N 0 2 340.295 2.648 20 5 EFBDLN CN(C)c1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356540658 147272218 /nfs/dbraw/zinc/27/22/18/147272218.db2.gz LVVIDTXYYTWWRG-UHFFFAOYSA-N 0 2 329.356 2.639 20 5 EFBDLN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356888424 147363836 /nfs/dbraw/zinc/36/38/36/147363836.db2.gz CORJMBMNOPZVGQ-HWPZZCPQSA-N 0 2 348.330 2.946 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccn(C(C)C)n2)c1 ZINC000358906574 147933857 /nfs/dbraw/zinc/93/38/57/147933857.db2.gz XHQBIMYNHKOCBC-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cc1 ZINC000359470251 148094632 /nfs/dbraw/zinc/09/46/32/148094632.db2.gz VCXZFJSQLWTFNO-UHFFFAOYSA-N 0 2 333.369 2.669 20 5 EFBDLN Cc1noc2ncc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 ZINC000360229769 148305416 /nfs/dbraw/zinc/30/54/16/148305416.db2.gz FXXWXZXRYVZHHZ-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000364287315 149115548 /nfs/dbraw/zinc/11/55/48/149115548.db2.gz OJEGLTXRAGGVPS-QGZVFWFLSA-N 0 2 342.351 2.823 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000374058377 151277183 /nfs/dbraw/zinc/27/71/83/151277183.db2.gz RSVHUXQNRAFYMZ-XTBFLFJDSA-N 0 2 348.399 2.702 20 5 EFBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000160540414 286465170 /nfs/dbraw/zinc/46/51/70/286465170.db2.gz BCBBIPLQKAEXOY-CABCVRRESA-N 0 2 334.372 2.720 20 5 EFBDLN CN(CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000017840747 272962198 /nfs/dbraw/zinc/96/21/98/272962198.db2.gz UGDZBXWMAHKYDU-UHFFFAOYSA-N 0 2 329.356 2.557 20 5 EFBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCN(C2CC2)c2ccccc21 ZINC000187542287 265109066 /nfs/dbraw/zinc/10/90/66/265109066.db2.gz WDIZWGBREFGKHS-UHFFFAOYSA-N 0 2 339.351 2.930 20 5 EFBDLN COc1ccccc1[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272354048 266239531 /nfs/dbraw/zinc/23/95/31/266239531.db2.gz CWZOIYNXWAIHLA-LBPRGKRZSA-N 0 2 342.351 2.939 20 5 EFBDLN O=C(C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000272412596 266257706 /nfs/dbraw/zinc/25/77/06/266257706.db2.gz OVOAXYYYFQYAAL-LLVKDONJSA-N 0 2 344.323 2.771 20 5 EFBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C(=O)N(C)C ZINC000158151195 273021923 /nfs/dbraw/zinc/02/19/23/273021923.db2.gz APEWRHWODOXKCC-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2ccccc2n1 ZINC000177090040 273036689 /nfs/dbraw/zinc/03/66/89/273036689.db2.gz WFPRIOGIUYQHFK-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CCc1ccc([C@H](COC)NC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000184814405 273049848 /nfs/dbraw/zinc/04/98/48/273049848.db2.gz TWSDDRYZMCSUHC-ZDUSSCGKSA-N 0 2 334.328 2.573 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000271247230 273103325 /nfs/dbraw/zinc/10/33/25/273103325.db2.gz CUODTTDOPIDILW-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(C(C)C)n2)c1C ZINC000280964179 273386216 /nfs/dbraw/zinc/38/62/16/273386216.db2.gz KUQBUACQLVBZAI-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc([N+](=O)[O-])c1F ZINC000281270174 273417941 /nfs/dbraw/zinc/41/79/41/273417941.db2.gz WYCKPDHDJFLIKT-UHFFFAOYSA-N 0 2 342.352 2.621 20 5 EFBDLN CN(CCCOCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000281677814 273458727 /nfs/dbraw/zinc/45/87/27/273458727.db2.gz PHQBQRKOAXKXIO-UHFFFAOYSA-N 0 2 344.367 2.979 20 5 EFBDLN CN(CCCOc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000129912075 293147812 /nfs/dbraw/zinc/14/78/12/293147812.db2.gz JJDZIYSJJYEUMH-UHFFFAOYSA-N 0 2 348.330 2.981 20 5 EFBDLN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000131812968 293209502 /nfs/dbraw/zinc/20/95/02/293209502.db2.gz YQNLKOSRVTZDIA-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000155514046 293474729 /nfs/dbraw/zinc/47/47/29/293474729.db2.gz TVULBJYVPBSTHB-UHFFFAOYSA-N 0 2 345.142 2.751 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000290451772 294090691 /nfs/dbraw/zinc/09/06/91/294090691.db2.gz DHAGUOUPJAYZPM-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN CC1(C)Cc2cc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])ccc2O1 ZINC000292492586 294700112 /nfs/dbraw/zinc/70/01/12/294700112.db2.gz JFSOFYSGDOBTJY-UHFFFAOYSA-N 0 2 349.368 2.504 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1cccnc1 ZINC000293661285 295022375 /nfs/dbraw/zinc/02/23/75/295022375.db2.gz FSDNIWUCAZOSKL-HNNXBMFYSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1OCCc2sccc21 ZINC000294373228 295155922 /nfs/dbraw/zinc/15/59/22/295155922.db2.gz VPEODCXEABJMBX-VFZGTOFNSA-N 0 2 348.380 2.794 20 5 EFBDLN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184853852 300227022 /nfs/dbraw/zinc/22/70/22/300227022.db2.gz JSSQVFJTWGADCA-LBPRGKRZSA-N 0 2 341.367 2.781 20 5 EFBDLN Cc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000023440482 302104534 /nfs/dbraw/zinc/10/45/34/302104534.db2.gz CKVRPEVLSHHZHE-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182165554 302498226 /nfs/dbraw/zinc/49/82/26/302498226.db2.gz IBMWPHFRQXLETL-ZDUSSCGKSA-N 0 2 330.344 2.618 20 5 EFBDLN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000097373595 302523551 /nfs/dbraw/zinc/52/35/51/302523551.db2.gz RURJSDJTGGSAEJ-CYBMUJFWSA-N 0 2 330.344 2.618 20 5 EFBDLN CCc1[nH]nc(C(=O)Nc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC000171369701 310747106 /nfs/dbraw/zinc/74/71/06/310747106.db2.gz AGZGERWGZDPFKB-UHFFFAOYSA-N 0 2 326.259 2.734 20 5 EFBDLN Cc1nc(NCc2nnc(COc3ccccc3)[nH]2)ccc1[N+](=O)[O-] ZINC000302235398 311186717 /nfs/dbraw/zinc/18/67/17/311186717.db2.gz FEODACFHSCHELT-UHFFFAOYSA-N 0 2 340.343 2.607 20 5 EFBDLN O=c1[nH]nc([C@H]2CCCCN2Cc2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000331852552 311426834 /nfs/dbraw/zinc/42/68/34/311426834.db2.gz DEMZBYAMLMCEPZ-LLVKDONJSA-N 0 2 337.767 2.799 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)cs2)[nH]1 ZINC000352013972 311885971 /nfs/dbraw/zinc/88/59/71/311885971.db2.gz NDWCCMXHFJSHOJ-OWOJBTEDSA-N 0 2 344.146 2.790 20 5 EFBDLN O=C([O-])c1coc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000426700371 312526934 /nfs/dbraw/zinc/52/69/34/312526934.db2.gz QGJPAMXRWXEHGN-UHFFFAOYSA-N 0 2 342.254 2.777 20 5 EFBDLN CCOc1ccccc1CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436968814 312604045 /nfs/dbraw/zinc/60/40/45/312604045.db2.gz VPQUEVWPQGWEGQ-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2o1 ZINC000436998579 312608433 /nfs/dbraw/zinc/60/84/33/312608433.db2.gz IGCWVDQHHQTGPT-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000437001201 312608440 /nfs/dbraw/zinc/60/84/40/312608440.db2.gz ODJCBRWOMKLRQH-GXFFZTMASA-N 0 2 334.278 2.865 20 5 EFBDLN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436999326 312608565 /nfs/dbraw/zinc/60/85/65/312608565.db2.gz QXJANYWYZDHUDC-CQSZACIVSA-N 0 2 328.324 2.813 20 5 EFBDLN Cc1noc2ncc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3C)cc12 ZINC000438779769 312624284 /nfs/dbraw/zinc/62/42/84/312624284.db2.gz PHXSEXDUDOAXDF-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1O ZINC000492744477 314108324 /nfs/dbraw/zinc/10/83/24/314108324.db2.gz ZNOUWEVDODUSAW-XVNBXDOJSA-N 0 2 330.296 2.667 20 5 EFBDLN O=C(Nc1ccc(N2CCOC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000495579199 314763486 /nfs/dbraw/zinc/76/34/86/314763486.db2.gz QCGMLEJCHUEGDN-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN COC(=O)Nc1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1F ZINC000495762615 314821702 /nfs/dbraw/zinc/82/17/02/314821702.db2.gz VWGWLTQCSURLCD-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN O=C([O-])[C@H](c1ccsc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000515068721 315590559 /nfs/dbraw/zinc/59/05/59/315590559.db2.gz VTVGHZOUSCRXTC-HNNXBMFYSA-N 0 2 347.396 2.604 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2noc(C(C)C)n2)cc1C ZINC000540895651 317755165 /nfs/dbraw/zinc/75/51/65/317755165.db2.gz BIEDYQPERLZZDF-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H]2CCCN2c2ccccc21 ZINC000547792775 318042210 /nfs/dbraw/zinc/04/22/10/318042210.db2.gz WXJPVTYSBFWLRS-ZDUSSCGKSA-N 0 2 339.351 2.930 20 5 EFBDLN CCc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc1C ZINC000550903943 318199147 /nfs/dbraw/zinc/19/91/47/318199147.db2.gz NBUIRNGHRFKHJZ-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN Cc1ccn2cc(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)[nH+]c2c1 ZINC000551243520 318204235 /nfs/dbraw/zinc/20/42/35/318204235.db2.gz PADMZGFJMKWOHI-UHFFFAOYSA-N 0 2 326.312 2.861 20 5 EFBDLN CC(C)CCn1nccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000552669350 318260788 /nfs/dbraw/zinc/26/07/88/318260788.db2.gz CJCFHBFFCPYPSK-UHFFFAOYSA-N 0 2 338.389 2.638 20 5 EFBDLN Cc1cc(N2CCC(n3cc[nH+]c3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000565038146 318925584 /nfs/dbraw/zinc/92/55/84/318925584.db2.gz MKOUZKMNSZKYGJ-UHFFFAOYSA-N 0 2 330.344 2.639 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1(CO)CCCC1 ZINC000566463408 319080219 /nfs/dbraw/zinc/08/02/19/319080219.db2.gz CCZCMEPLBSXDBJ-OAHLLOKOSA-N 0 2 336.388 2.608 20 5 EFBDLN O=C([O-])C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000566509469 319085178 /nfs/dbraw/zinc/08/51/78/319085178.db2.gz FHQMFAGFMNPSCI-UHFFFAOYSA-N 0 2 331.328 2.689 20 5 EFBDLN O=C([O-])C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000566509469 319085179 /nfs/dbraw/zinc/08/51/79/319085179.db2.gz FHQMFAGFMNPSCI-UHFFFAOYSA-N 0 2 331.328 2.689 20 5 EFBDLN Cc1cc(NCc2ccc(N(C)C)[nH+]c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568396438 319280209 /nfs/dbraw/zinc/28/02/09/319280209.db2.gz IOHOIJCLJCIVRH-UHFFFAOYSA-N 0 2 330.344 2.675 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000573965965 319816608 /nfs/dbraw/zinc/81/66/08/319816608.db2.gz MHWXATGZNTUDBK-UHFFFAOYSA-N 0 2 341.414 2.977 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000576399448 320012250 /nfs/dbraw/zinc/01/22/50/320012250.db2.gz OLTKYMMWVCBOSO-UHFFFAOYSA-N 0 2 327.387 2.805 20 5 EFBDLN Cc1cn2c([nH+]1)[C@@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCC2 ZINC000576588467 320030463 /nfs/dbraw/zinc/03/04/63/320030463.db2.gz RSCKXJNRPWRFPD-LLVKDONJSA-N 0 2 330.344 2.787 20 5 EFBDLN O=C(NCc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)c(O)c1F ZINC000185527777 323392225 /nfs/dbraw/zinc/39/22/25/323392225.db2.gz ZSHDWCBJPWZOBZ-UHFFFAOYSA-N 0 2 326.230 2.648 20 5 EFBDLN Cc1ccc[nH+]c1CCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000581194235 324325845 /nfs/dbraw/zinc/32/58/45/324325845.db2.gz XWMPFOMSSFHJPX-UHFFFAOYSA-N 0 2 329.356 2.970 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000125127195 473360739 /nfs/dbraw/zinc/36/07/39/473360739.db2.gz HAXPEFWMQAZWNG-UHFFFAOYSA-N 0 2 340.332 2.803 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000083956104 473377411 /nfs/dbraw/zinc/37/74/11/473377411.db2.gz SDMJVFLTYMAIBZ-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2c(s1)CCC2 ZINC000457924411 477259145 /nfs/dbraw/zinc/25/91/45/477259145.db2.gz ONIMGVOTYRHFPJ-QMMMGPOBSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(NCc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000035240423 471995480 /nfs/dbraw/zinc/99/54/80/471995480.db2.gz AWAAZOOSUNZHFX-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000026347048 472133045 /nfs/dbraw/zinc/13/30/45/472133045.db2.gz JQCNPWAUSCNNSV-UHFFFAOYSA-N 0 2 330.369 2.937 20 5 EFBDLN CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC000084460673 472183556 /nfs/dbraw/zinc/18/35/56/472183556.db2.gz HCDHZMFLTVFLNU-UHFFFAOYSA-N 0 2 344.780 2.574 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085650478 472263120 /nfs/dbraw/zinc/26/31/20/472263120.db2.gz JMCDJUGKKGWKKM-UHFFFAOYSA-N 0 2 348.305 2.893 20 5 EFBDLN Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000076140875 472284410 /nfs/dbraw/zinc/28/44/10/472284410.db2.gz XSIICKWPJDGFKS-BZUAXINKSA-N 0 2 340.383 2.721 20 5 EFBDLN O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116459750 472410894 /nfs/dbraw/zinc/41/08/94/472410894.db2.gz RSUURAOHATVPNA-CABZTGNLSA-N 0 2 334.278 2.865 20 5 EFBDLN Cc1nnc(-c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)o1 ZINC000089531188 472456620 /nfs/dbraw/zinc/45/66/20/472456620.db2.gz OGOOSATUIUPOCU-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089530866 472457780 /nfs/dbraw/zinc/45/77/80/472457780.db2.gz ZEDPARUVLQFXBO-LLVKDONJSA-N 0 2 349.387 2.524 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000070877859 472519724 /nfs/dbraw/zinc/51/97/24/472519724.db2.gz ZXLILRKLIOATCT-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2[nH]1 ZINC000070889143 472520693 /nfs/dbraw/zinc/52/06/93/472520693.db2.gz RVHVLJOXUVSEPX-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN O=C(N=c1[nH]c2ccccc2n1C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000046496751 472566055 /nfs/dbraw/zinc/56/60/55/472566055.db2.gz KVZNGBUDUMFPOH-IUODEOHRSA-N 0 2 328.372 2.567 20 5 EFBDLN O=C(N=c1[nH]c2ccccc2n1C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000046496751 472566061 /nfs/dbraw/zinc/56/60/61/472566061.db2.gz KVZNGBUDUMFPOH-IUODEOHRSA-N 0 2 328.372 2.567 20 5 EFBDLN Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC000047249340 472675628 /nfs/dbraw/zinc/67/56/28/472675628.db2.gz KPVRKIXCIWXMRO-IUODEOHRSA-N 0 2 329.381 2.673 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)c([N+](=O)[O-])c1 ZINC000132903952 472762154 /nfs/dbraw/zinc/76/21/54/472762154.db2.gz RDKVURHWLZFOCQ-UHFFFAOYSA-N 0 2 334.353 2.734 20 5 EFBDLN CC(C)Oc1ncccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000121816530 472921306 /nfs/dbraw/zinc/92/13/06/472921306.db2.gz MQUMUEGCCWHEGM-UHFFFAOYSA-N 0 2 337.357 2.578 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(OC2CCC2)c1 ZINC000092546260 472932447 /nfs/dbraw/zinc/93/24/47/472932447.db2.gz XQGPDGXOMOFIKZ-UHFFFAOYSA-N 0 2 329.312 2.879 20 5 EFBDLN O=C(CCCc1nc(C2CC2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545927 472932691 /nfs/dbraw/zinc/93/26/91/472932691.db2.gz JXFWLUDKNFIBTC-UHFFFAOYSA-N 0 2 332.316 2.522 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc([C@H]2CCCO2)s1 ZINC000092547531 472933387 /nfs/dbraw/zinc/93/33/87/472933387.db2.gz ADVSBQHLMKIXMT-LLVKDONJSA-N 0 2 335.341 2.861 20 5 EFBDLN COc1ccc2c(ccn2CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000092547305 472933574 /nfs/dbraw/zinc/93/35/74/472933574.db2.gz VCJKULGRRYVZKA-UHFFFAOYSA-N 0 2 341.323 2.902 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncccc1C(F)(F)F ZINC000092550039 472934489 /nfs/dbraw/zinc/93/44/89/472934489.db2.gz ZMSMDNIJCPVZIX-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000092549568 472934712 /nfs/dbraw/zinc/93/47/12/472934712.db2.gz NJNSWZULLACFSS-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000092549772 472935267 /nfs/dbraw/zinc/93/52/67/472935267.db2.gz UMHVTRSJQGTDFG-UHFFFAOYSA-N 0 2 343.270 2.533 20 5 EFBDLN CN(CCN(C)c1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000107775665 472981814 /nfs/dbraw/zinc/98/18/14/472981814.db2.gz QKSBETOOILGIDV-UHFFFAOYSA-N 0 2 329.356 2.509 20 5 EFBDLN COc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000075285009 473159834 /nfs/dbraw/zinc/15/98/34/473159834.db2.gz KNNPMDXTYLYEAS-XBXARRHUSA-N 0 2 344.323 2.970 20 5 EFBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1Cl ZINC000151329016 473443554 /nfs/dbraw/zinc/44/35/54/473443554.db2.gz IEQOXFNDGXSCKC-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN Cc1nc(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n[nH]1 ZINC000164298373 473485212 /nfs/dbraw/zinc/48/52/12/473485212.db2.gz OAPKXOKJKCKUFT-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(F)cn1 ZINC000178420088 473510367 /nfs/dbraw/zinc/51/03/67/473510367.db2.gz YJYLTCCFIVQRDL-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN CC(C)(C)Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000126777106 473545075 /nfs/dbraw/zinc/54/50/75/473545075.db2.gz XJTGRRHRLBKPHQ-UHFFFAOYSA-N 0 2 338.389 2.707 20 5 EFBDLN COCCN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179411491 473685471 /nfs/dbraw/zinc/68/54/71/473685471.db2.gz CRYKVWMJTPFBAS-UHFFFAOYSA-N 0 2 330.340 2.589 20 5 EFBDLN CC(C)(C)c1csc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000179483035 473690215 /nfs/dbraw/zinc/69/02/15/473690215.db2.gz JWAITXYLUBIIHW-UHFFFAOYSA-N 0 2 335.385 2.984 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc2[nH]c[nH+]c21 ZINC000172834777 473690765 /nfs/dbraw/zinc/69/07/65/473690765.db2.gz YNDZDZBIAJOOLT-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1cccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000179535048 473693404 /nfs/dbraw/zinc/69/34/04/473693404.db2.gz UGMMLNJXJRKLLE-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2o1 ZINC000187764999 473916194 /nfs/dbraw/zinc/91/61/94/473916194.db2.gz NTZWDQIMUGGHMK-UHFFFAOYSA-N 0 2 343.295 2.840 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000182090177 474097388 /nfs/dbraw/zinc/09/73/88/474097388.db2.gz RHIOHWFTZIRLRC-OCCSQVGLSA-N 0 2 332.356 2.664 20 5 EFBDLN C[C@@H](O)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000182106188 474100393 /nfs/dbraw/zinc/10/03/93/474100393.db2.gz RMPFZGHGYYFUHP-OCCSQVGLSA-N 0 2 344.367 2.585 20 5 EFBDLN C[C@H](CCc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182129861 474104957 /nfs/dbraw/zinc/10/49/57/474104957.db2.gz PSNRQRAYZNOWJY-LLVKDONJSA-N 0 2 330.340 2.757 20 5 EFBDLN C[C@H](CC(=O)c1cccs1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182149617 474109554 /nfs/dbraw/zinc/10/95/54/474109554.db2.gz ZAKVBCOZDQXICD-SECBINFHSA-N 0 2 334.353 2.753 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182418584 474170687 /nfs/dbraw/zinc/17/06/87/474170687.db2.gz OKIMJWNMUMMGSG-UHFFFAOYSA-N 0 2 343.336 2.702 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000182864746 474274258 /nfs/dbraw/zinc/27/42/58/474274258.db2.gz NYXGXYRKEHQKGG-SECBINFHSA-N 0 2 332.287 2.867 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2n1C ZINC000175717887 474290493 /nfs/dbraw/zinc/29/04/93/474290493.db2.gz JYLZSXFTYOUUFB-SNVBAGLBSA-N 0 2 340.339 2.678 20 5 EFBDLN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000283217122 474341622 /nfs/dbraw/zinc/34/16/22/474341622.db2.gz ANUOFOHAABXEAE-UHFFFAOYSA-N 0 2 346.368 2.817 20 5 EFBDLN O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)Nc1ccccc1 ZINC000189932575 474510113 /nfs/dbraw/zinc/51/01/13/474510113.db2.gz KJORCBXQYBASKR-UHFFFAOYSA-N 0 2 340.295 2.532 20 5 EFBDLN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000184781461 474606417 /nfs/dbraw/zinc/60/64/17/474606417.db2.gz HXHWVYTWGOEHKV-IAQYHMDHSA-N 0 2 327.340 2.919 20 5 EFBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NO[C@H]1CCCCO1 ZINC000273149695 474742940 /nfs/dbraw/zinc/74/29/40/474742940.db2.gz WXKWJFUKSLYMBT-ZDUSSCGKSA-N 0 2 346.792 2.915 20 5 EFBDLN O=C(N=c1cc(CC2CCCCC2)[nH][nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609200782 480125756 /nfs/dbraw/zinc/12/57/56/480125756.db2.gz ANBHOTITUIOOHU-UHFFFAOYSA-N 0 2 344.371 2.821 20 5 EFBDLN Cc1cscc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000315133475 474868848 /nfs/dbraw/zinc/86/88/48/474868848.db2.gz MMZTVHSNQBSPGW-UHFFFAOYSA-N 0 2 330.362 2.582 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000322416563 474937437 /nfs/dbraw/zinc/93/74/37/474937437.db2.gz UIHJXZGDWVGSMY-UHFFFAOYSA-N 0 2 338.389 2.725 20 5 EFBDLN COc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc(C)n1 ZINC000339154450 474982694 /nfs/dbraw/zinc/98/26/94/474982694.db2.gz PQEISBUWIATYSM-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc(C2CC2)n[nH]1 ZINC000268456199 474990332 /nfs/dbraw/zinc/99/03/32/474990332.db2.gz CKYGRSPEBLKTGT-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000268462473 474992921 /nfs/dbraw/zinc/99/29/21/474992921.db2.gz FLFISPREAWDRFL-UHFFFAOYSA-N 0 2 345.764 2.962 20 5 EFBDLN COCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000613896525 480141725 /nfs/dbraw/zinc/14/17/25/480141725.db2.gz KFPVPXFJXBBLPH-UHFFFAOYSA-N 0 2 346.339 2.716 20 5 EFBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(OC)c1C ZINC000326746337 475010668 /nfs/dbraw/zinc/01/06/68/475010668.db2.gz FMVBWIIFKPMXKD-UHFFFAOYSA-N 0 2 332.312 2.878 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000281189533 475108248 /nfs/dbraw/zinc/10/82/48/475108248.db2.gz AJBWNTVVNXGFCT-MEWXFMAXSA-N 0 2 348.399 2.702 20 5 EFBDLN O=C(N[C@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337589064 475159536 /nfs/dbraw/zinc/15/95/36/475159536.db2.gz BJVDVMSJIQJJEX-JOYOIKCWSA-N 0 2 330.287 2.581 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc([S@](C)=O)cc1 ZINC000339762229 475477199 /nfs/dbraw/zinc/47/71/99/475477199.db2.gz TXDGZFFJRKWDSI-JUZXBQNTSA-N 0 2 348.380 2.529 20 5 EFBDLN C[C@@](O)(CCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000338186329 475660275 /nfs/dbraw/zinc/66/02/75/475660275.db2.gz PUWQSMLERIRNAC-QGZVFWFLSA-N 0 2 330.340 2.623 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnc(C(C)C)nc2)c([N+](=O)[O-])c1 ZINC000358499170 475727215 /nfs/dbraw/zinc/72/72/15/475727215.db2.gz RZKGOQOUQUDMJH-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN COc1ccc([N+](=O)[O-])c(N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000338640550 476076925 /nfs/dbraw/zinc/07/69/25/476076925.db2.gz FAWMRGGCQGYJND-UHFFFAOYSA-N 0 2 346.368 2.950 20 5 EFBDLN COc1ccc(C(C)=O)cc1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000340544367 476098803 /nfs/dbraw/zinc/09/88/03/476098803.db2.gz RXMXKTCXYVFQBP-UHFFFAOYSA-N 0 2 344.323 2.693 20 5 EFBDLN COc1cccc(CO[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340547224 476100532 /nfs/dbraw/zinc/10/05/32/476100532.db2.gz YYSVUWGVDIHMOY-NSHDSACASA-N 0 2 346.339 2.853 20 5 EFBDLN O=C(NCCc1cccc2cccnc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000336887935 476178815 /nfs/dbraw/zinc/17/88/15/476178815.db2.gz IYRKPLJUFOOXIO-UHFFFAOYSA-N 0 2 337.335 2.821 20 5 EFBDLN CC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000350473119 476199505 /nfs/dbraw/zinc/19/95/05/476199505.db2.gz DVYZNDSSGNIXSH-UHFFFAOYSA-N 0 2 338.316 2.737 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3cn4ccccc4[nH+]3)no2)cc1[O-] ZINC000350602927 476262269 /nfs/dbraw/zinc/26/22/69/476262269.db2.gz YBPOGURVAHNBHU-UHFFFAOYSA-N 0 2 337.295 2.589 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)ccn2)cc1[N+](=O)[O-] ZINC000357542442 476442944 /nfs/dbraw/zinc/44/29/44/476442944.db2.gz GCBHWLVVSXJBDB-UHFFFAOYSA-N 0 2 333.369 2.976 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000357558197 476453440 /nfs/dbraw/zinc/45/34/40/476453440.db2.gz ZZZXJABXMKCKCA-UHFFFAOYSA-N 0 2 334.353 2.639 20 5 EFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1sccc1C ZINC000354210274 476505587 /nfs/dbraw/zinc/50/55/87/476505587.db2.gz WHWFYJKIPKAVEY-UHFFFAOYSA-N 0 2 342.398 2.912 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000374798865 476534032 /nfs/dbraw/zinc/53/40/32/476534032.db2.gz LEMKSDGKKVMYKH-QWHCGFSZSA-N 0 2 334.372 2.579 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000374798863 476534528 /nfs/dbraw/zinc/53/45/28/476534528.db2.gz LEMKSDGKKVMYKH-CHWSQXEVSA-N 0 2 334.372 2.579 20 5 EFBDLN CCc1nc([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000374798913 476534569 /nfs/dbraw/zinc/53/45/69/476534569.db2.gz ILMULAPYMLVKFP-GFCCVEGCSA-N 0 2 346.343 2.613 20 5 EFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000377814268 476594197 /nfs/dbraw/zinc/59/41/97/476594197.db2.gz MTOQBSUTPJIRNV-YGRLFVJLSA-N 0 2 328.324 2.595 20 5 EFBDLN O=C(NCc1cccc(-c2ncc[nH]2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354462528 476675300 /nfs/dbraw/zinc/67/53/00/476675300.db2.gz PNDZMKNNICHDFQ-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447055029 476944544 /nfs/dbraw/zinc/94/45/44/476944544.db2.gz DCOHKFKERJQMNR-UHFFFAOYSA-N 0 2 332.360 2.593 20 5 EFBDLN CC(C)c1ccc(C[NH+]=c2[n-]ncn2-c2cccnc2)cc1[N+](=O)[O-] ZINC000376746319 477485229 /nfs/dbraw/zinc/48/52/29/477485229.db2.gz NFMXJHLUOKSMJB-UHFFFAOYSA-N 0 2 338.371 2.728 20 5 EFBDLN COc1cc(F)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000436633428 477538469 /nfs/dbraw/zinc/53/84/69/477538469.db2.gz BCKFWNMOFFACJK-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN O=C(Nc1ccnn1Cc1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633898 477538844 /nfs/dbraw/zinc/53/88/44/477538844.db2.gz DJPAJFMADUQCQV-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436638678 477540390 /nfs/dbraw/zinc/54/03/90/477540390.db2.gz GPQRVILPMNSIOJ-LBPRGKRZSA-N 0 2 344.323 2.720 20 5 EFBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1ccccc1F ZINC000436668601 477552224 /nfs/dbraw/zinc/55/22/24/477552224.db2.gz CZJAOCDRZDEJEW-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(OC)c(OC)c1 ZINC000436664795 477552617 /nfs/dbraw/zinc/55/26/17/477552617.db2.gz PAVFNXBOHPSSKK-UHFFFAOYSA-N 0 2 346.339 2.984 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436744787 477578251 /nfs/dbraw/zinc/57/82/51/477578251.db2.gz PSHNOUJRRUSXSX-AYVTZFPOSA-N 0 2 332.287 2.692 20 5 EFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)Cc2ccccc2O1 ZINC000436816939 477598958 /nfs/dbraw/zinc/59/89/58/477598958.db2.gz UXYHLGLFTGNJKU-LLVKDONJSA-N 0 2 328.324 2.724 20 5 EFBDLN O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1ccc([N+](=O)[O-])cc1O ZINC000436837625 477608730 /nfs/dbraw/zinc/60/87/30/477608730.db2.gz KQSCLAQKKCEQRC-UHFFFAOYSA-N 0 2 345.286 2.577 20 5 EFBDLN O=C(Nc1ccc(OC(F)F)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436860491 477616697 /nfs/dbraw/zinc/61/66/97/477616697.db2.gz ORQGKZYPIIRRMX-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1NC(C)=O ZINC000436861522 477616774 /nfs/dbraw/zinc/61/67/74/477616774.db2.gz KSDHZHYDXMWKTC-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436867132 477620499 /nfs/dbraw/zinc/62/04/99/477620499.db2.gz ABQCMLBFMBQWHO-UHFFFAOYSA-N 0 2 329.356 2.557 20 5 EFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(OC)c1OC ZINC000436871680 477622203 /nfs/dbraw/zinc/62/22/03/477622203.db2.gz RPEZRSPEDQUNCW-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1ccccc1F ZINC000436875617 477622309 /nfs/dbraw/zinc/62/23/09/477622309.db2.gz VBOIGGADDUIIDK-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN COCCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436883630 477623408 /nfs/dbraw/zinc/62/34/08/477623408.db2.gz GXBSZWMOMVUATF-UHFFFAOYSA-N 0 2 346.339 2.886 20 5 EFBDLN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436886838 477626309 /nfs/dbraw/zinc/62/63/09/477626309.db2.gz LXSDGABHKSMABW-LSDHHAIUSA-N 0 2 336.388 2.966 20 5 EFBDLN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)o1 ZINC000436890716 477627912 /nfs/dbraw/zinc/62/79/12/477627912.db2.gz CQAUBXOSTMWFAG-ZDUSSCGKSA-N 0 2 334.328 2.709 20 5 EFBDLN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436897782 477628882 /nfs/dbraw/zinc/62/88/82/477628882.db2.gz UGHUHZBWKTYQQZ-QFYYESIMSA-N 0 2 348.330 2.946 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc([S@](C)=O)cc1 ZINC000436900515 477629619 /nfs/dbraw/zinc/62/96/19/477629619.db2.gz NURADIXFBPAUBG-JUZXBQNTSA-N 0 2 348.380 2.529 20 5 EFBDLN CC(C)(C)Oc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436905633 477631565 /nfs/dbraw/zinc/63/15/65/477631565.db2.gz ICIZUZPGRXBYSY-UHFFFAOYSA-N 0 2 345.355 2.803 20 5 EFBDLN CC(C)(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436930897 477639632 /nfs/dbraw/zinc/63/96/32/477639632.db2.gz HXOQWSVSMVWDRE-UHFFFAOYSA-N 0 2 345.355 2.803 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCCc2[nH+]c[nH]c21 ZINC000377099912 477644141 /nfs/dbraw/zinc/64/41/41/477644141.db2.gz YJRIAVZCTIUIFE-QMMMGPOBSA-N 0 2 336.735 2.736 20 5 EFBDLN O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000436952382 477646058 /nfs/dbraw/zinc/64/60/58/477646058.db2.gz VXQCAGQBYVTFHJ-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN O=C(NCc1ccnc(OC2CCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436959616 477648902 /nfs/dbraw/zinc/64/89/02/477648902.db2.gz NCFVCSZBEHMAGQ-UHFFFAOYSA-N 0 2 343.339 2.557 20 5 EFBDLN CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436958523 477648965 /nfs/dbraw/zinc/64/89/65/477648965.db2.gz IAOAWDXKQHBJRC-UHFFFAOYSA-N 0 2 326.359 2.516 20 5 EFBDLN COc1ccccc1C(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436961717 477649321 /nfs/dbraw/zinc/64/93/21/477649321.db2.gz CFMDERPEFWVMLV-UHFFFAOYSA-N 0 2 330.340 2.974 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2c(F)ccc(F)c2C1 ZINC000436968841 477652216 /nfs/dbraw/zinc/65/22/16/477652216.db2.gz VXVMNBJGGWTXIE-UHFFFAOYSA-N 0 2 334.278 2.777 20 5 EFBDLN COc1cccc(OCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436970051 477652945 /nfs/dbraw/zinc/65/29/45/477652945.db2.gz BUPQRJLBGXRPDC-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000437198529 477683382 /nfs/dbraw/zinc/68/33/82/477683382.db2.gz AQUDWCZNBQHIGZ-GOEBONIOSA-N 0 2 342.351 2.985 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000372233422 477706226 /nfs/dbraw/zinc/70/62/26/477706226.db2.gz SJEUNCQNUHBWMH-OLZOCXBDSA-N 0 2 334.372 2.579 20 5 EFBDLN Cc1cc(=NC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]nc1C ZINC000437749394 477747361 /nfs/dbraw/zinc/74/73/61/477747361.db2.gz HTOFIHCZUUQVIJ-UHFFFAOYSA-N 0 2 341.371 2.620 20 5 EFBDLN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000427901199 477785672 /nfs/dbraw/zinc/78/56/72/477785672.db2.gz CUVIIACFLCAKAT-HNNXBMFYSA-N 0 2 344.367 2.714 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc3c(cn2)CCC3)c1C ZINC000451051382 477803484 /nfs/dbraw/zinc/80/34/84/477803484.db2.gz RUHKPAQWQVITKS-UHFFFAOYSA-N 0 2 347.396 2.896 20 5 EFBDLN Cc1oc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1C1CC1 ZINC000451052089 477803604 /nfs/dbraw/zinc/80/36/04/477803604.db2.gz DKVJHRWKJGDQDF-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)c([N+](=O)[O-])c1 ZINC000438769748 477884156 /nfs/dbraw/zinc/88/41/56/477884156.db2.gz HQLLTKGFLOWCFA-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590776506 478332946 /nfs/dbraw/zinc/33/29/46/478332946.db2.gz YKIIIWWMEUFCPN-KGLIPLIRSA-N 0 2 346.383 2.722 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC000491583075 478595423 /nfs/dbraw/zinc/59/54/23/478595423.db2.gz GCBAMYBWQQXNRX-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2noc(C(C)C)n2)c1 ZINC000542761444 478680899 /nfs/dbraw/zinc/68/08/99/478680899.db2.gz WYPJKSAXFXJNQU-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598307954 478758198 /nfs/dbraw/zinc/75/81/98/478758198.db2.gz MBPADHVOFLSIQU-BLLLJJGKSA-N 0 2 334.372 2.722 20 5 EFBDLN C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000564662758 478781987 /nfs/dbraw/zinc/78/19/87/478781987.db2.gz VQQVZMGAEFONIX-XHDPSFHLSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000564662758 478781995 /nfs/dbraw/zinc/78/19/95/478781995.db2.gz VQQVZMGAEFONIX-XHDPSFHLSA-N 0 2 345.355 2.935 20 5 EFBDLN CN(c1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000598378799 478794608 /nfs/dbraw/zinc/79/46/08/478794608.db2.gz KXVDMEIVAXJSFU-OAHLLOKOSA-N 0 2 341.367 2.651 20 5 EFBDLN O=C([O-])c1ccc[nH+]c1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592427149 478892096 /nfs/dbraw/zinc/89/20/96/478892096.db2.gz KPLDQPFJPDSOQW-UHFFFAOYSA-N 0 2 343.339 2.736 20 5 EFBDLN Cc1cc(N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633325 478902507 /nfs/dbraw/zinc/90/25/07/478902507.db2.gz ADDPXGMKFDHYQP-ABAIWWIYSA-N 0 2 344.371 2.885 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598716648 478987937 /nfs/dbraw/zinc/98/79/37/478987937.db2.gz JGQLIDNFVPKINP-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598733912 478995400 /nfs/dbraw/zinc/99/54/00/478995400.db2.gz FZJWGUMEQFVTCA-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CCc1cccnc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598734032 478995814 /nfs/dbraw/zinc/99/58/14/478995814.db2.gz IQOIALVJVIITMU-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598736540 478996497 /nfs/dbraw/zinc/99/64/97/478996497.db2.gz XTFXGOFSCBSNGR-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN COc1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000565539843 479031013 /nfs/dbraw/zinc/03/10/13/479031013.db2.gz FHPOYLYLUNVHHP-QMMMGPOBSA-N 0 2 337.357 2.609 20 5 EFBDLN O=C([O-])c1csc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000573452720 479072165 /nfs/dbraw/zinc/07/21/65/479072165.db2.gz XJFDGCRPQXMZOU-UHFFFAOYSA-N 0 2 333.369 2.914 20 5 EFBDLN O=C([O-])c1csc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000573452720 479072169 /nfs/dbraw/zinc/07/21/69/479072169.db2.gz XJFDGCRPQXMZOU-UHFFFAOYSA-N 0 2 333.369 2.914 20 5 EFBDLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596051981 479109136 /nfs/dbraw/zinc/10/91/36/479109136.db2.gz WCYXLJOHGIEABA-RFAUZJTJSA-N 0 2 344.314 2.538 20 5 EFBDLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@](C)(C(F)F)O1 ZINC000596051981 479109140 /nfs/dbraw/zinc/10/91/40/479109140.db2.gz WCYXLJOHGIEABA-RFAUZJTJSA-N 0 2 344.314 2.538 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2ccncc2)C1 ZINC000584360871 479109972 /nfs/dbraw/zinc/10/99/72/479109972.db2.gz UKKUZRYMPZEYQJ-ZDUSSCGKSA-N 0 2 327.340 2.715 20 5 EFBDLN CCn1cc[nH+]c1[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584612190 479193035 /nfs/dbraw/zinc/19/30/35/479193035.db2.gz NEUNFOYBCCOFEV-QMMMGPOBSA-N 0 2 338.751 2.661 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000593553783 479386668 /nfs/dbraw/zinc/38/66/68/479386668.db2.gz PMLKZZYYAJKUDS-UWVGGRQHSA-N 0 2 348.277 2.987 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000603556471 479404453 /nfs/dbraw/zinc/40/44/53/479404453.db2.gz ZJYCRAPINQBUEE-UHFFFAOYSA-N 0 2 325.371 2.730 20 5 EFBDLN O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1cc([N+](=O)[O-])ccc1O ZINC000611534889 479407603 /nfs/dbraw/zinc/40/76/03/479407603.db2.gz HCBGPMMWKILGFD-UHFFFAOYSA-N 0 2 346.730 2.760 20 5 EFBDLN O=C(N[C@@H]1COc2c1cccc2Cl)c1cc([N+](=O)[O-])ccc1O ZINC000611535516 479407699 /nfs/dbraw/zinc/40/76/99/479407699.db2.gz BKYRFZCMQWPWCL-GFCCVEGCSA-N 0 2 334.715 2.817 20 5 EFBDLN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611535050 479407954 /nfs/dbraw/zinc/40/79/54/479407954.db2.gz IWCOUHFTFLCSNK-CQSZACIVSA-N 0 2 344.323 2.563 20 5 EFBDLN CCn1cc(CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)C)cn1 ZINC000593834165 479478603 /nfs/dbraw/zinc/47/86/03/479478603.db2.gz FURXYRATKDIUPS-UHFFFAOYSA-N 0 2 332.360 2.568 20 5 EFBDLN COc1ccc2c(c1)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000612342927 479649497 /nfs/dbraw/zinc/64/94/97/479649497.db2.gz CBAKDENTLYLSJT-CYBMUJFWSA-N 0 2 342.351 2.596 20 5 EFBDLN COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000612343417 479649787 /nfs/dbraw/zinc/64/97/87/479649787.db2.gz XZFPDXYCTOXPGX-CQSZACIVSA-N 0 2 342.351 2.596 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(F)cc1[N+](=O)[O-] ZINC000590597663 479665902 /nfs/dbraw/zinc/66/59/02/479665902.db2.gz OLZPLOVQMUDDNO-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2cc[nH]c21 ZINC000619468381 479802186 /nfs/dbraw/zinc/80/21/86/479802186.db2.gz YBAUHHARIKQBHH-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(C)c1 ZINC000619467409 479802355 /nfs/dbraw/zinc/80/23/55/479802355.db2.gz GIFPSUHGKVHFBE-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000619466545 479802362 /nfs/dbraw/zinc/80/23/62/479802362.db2.gz XEKIOXXVWSXANY-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000619579075 479834036 /nfs/dbraw/zinc/83/40/36/479834036.db2.gz PNRJDRNFEKITQE-IIAWOOMASA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(N[C@@H]1COc2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1O ZINC000613986804 480161090 /nfs/dbraw/zinc/16/10/90/480161090.db2.gz ZMZIWOWUIHRNBB-GFCCVEGCSA-N 0 2 334.715 2.817 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610657436 480356642 /nfs/dbraw/zinc/35/66/42/480356642.db2.gz UHNVKCVLMFMFLX-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN CC(=O)Nc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089541122 519719838 /nfs/dbraw/zinc/71/98/38/519719838.db2.gz NQVOPEMFOUXCCR-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000191740827 534588022 /nfs/dbraw/zinc/58/80/22/534588022.db2.gz AHKYZWGFOHBPOP-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CCc1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180765187 522501760 /nfs/dbraw/zinc/50/17/60/522501760.db2.gz ICEOWPVCMQCGJD-UHFFFAOYSA-N 0 2 340.339 2.851 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000078677312 522985207 /nfs/dbraw/zinc/98/52/07/522985207.db2.gz WCMFYKUUCXTCKJ-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000075284542 523925860 /nfs/dbraw/zinc/92/58/60/523925860.db2.gz AEGMPYAKLBJPJD-UHFFFAOYSA-N 0 2 346.339 2.889 20 5 EFBDLN Cc1cc(N2CCC(C(=O)[O-])CC2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000262127929 525054929 /nfs/dbraw/zinc/05/49/29/525054929.db2.gz NHRBSGUIDVNLGA-UHFFFAOYSA-N 0 2 342.355 2.661 20 5 EFBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000176723410 525991348 /nfs/dbraw/zinc/99/13/48/525991348.db2.gz SSZMXKAHLQJQIX-SECBINFHSA-N 0 2 343.368 2.985 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1 ZINC000116603493 526042671 /nfs/dbraw/zinc/04/26/71/526042671.db2.gz UVVLCMFZLJRZNH-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065834022 526087579 /nfs/dbraw/zinc/08/75/79/526087579.db2.gz GFRQPZDBYOPBNM-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]cnc21 ZINC000177675043 526087919 /nfs/dbraw/zinc/08/79/19/526087919.db2.gz SUNAWRFZEOYBCC-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(F)cc2Cl)ccc1[N+](=O)[O-] ZINC000180756157 526999870 /nfs/dbraw/zinc/99/98/70/526999870.db2.gz PZBGWHGISNWKNN-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN CC(=O)Nc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000159976978 527070238 /nfs/dbraw/zinc/07/02/38/527070238.db2.gz FDZYXOONUCMWSO-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000089541066 527132149 /nfs/dbraw/zinc/13/21/49/527132149.db2.gz AYRLVVPRQKGMHJ-NSHDSACASA-N 0 2 345.286 2.504 20 5 EFBDLN O=C(Nc1ccc2nn[nH]c2c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000176733457 527265957 /nfs/dbraw/zinc/26/59/57/527265957.db2.gz QXHIAOVWKCKSRI-UHFFFAOYSA-N 0 2 338.327 2.693 20 5 EFBDLN O=C(Nc1ccc2nn[nH]c2c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182314133 527266765 /nfs/dbraw/zinc/26/67/65/527266765.db2.gz YJOITMPZJVRCTQ-UHFFFAOYSA-N 0 2 349.253 2.720 20 5 EFBDLN O=C(Nc1cccc([N+](=O)[O-])c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000180880903 527374963 /nfs/dbraw/zinc/37/49/63/527374963.db2.gz ABKMERXEVLJVCH-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN Cn1cc[nH+]c1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000065073962 527424322 /nfs/dbraw/zinc/42/43/22/527424322.db2.gz AAXNIABFXYQIFH-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN CC(C)c1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000174013033 528225069 /nfs/dbraw/zinc/22/50/69/528225069.db2.gz MRIOOKJJMNKZMT-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN CCC(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000160049113 528435345 /nfs/dbraw/zinc/43/53/45/528435345.db2.gz AREQRUDEYRBVGX-UHFFFAOYSA-N 0 2 329.312 2.901 20 5 EFBDLN CC(C)n1ncc2c1[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)CCC2 ZINC000364032076 535132671 /nfs/dbraw/zinc/13/26/71/535132671.db2.gz XZKHPVLHVIGHJY-CQSZACIVSA-N 0 2 344.371 2.885 20 5 EFBDLN COCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356323588 536618024 /nfs/dbraw/zinc/61/80/24/536618024.db2.gz RLBIZAQDITZWQH-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(OC)c1OC ZINC000327672134 536775611 /nfs/dbraw/zinc/77/56/11/536775611.db2.gz LRORIFPHQRCCFI-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN C[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000759462799 575892312 /nfs/dbraw/zinc/89/23/12/575892312.db2.gz NXDLTJCFUKZGEV-MRVPVSSYSA-N 0 2 348.277 2.656 20 5 EFBDLN O=Cc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000770855241 581141986 /nfs/dbraw/zinc/14/19/86/581141986.db2.gz BBOJOTLCRRODSI-UHFFFAOYSA-N 0 2 330.296 2.521 20 5 EFBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc2c1O[C@@H](C)C2 ZINC000770856548 581142235 /nfs/dbraw/zinc/14/22/35/581142235.db2.gz YVKLFNKONNGTRP-VIFPVBQESA-N 0 2 344.323 2.885 20 5 EFBDLN CCN(C)c1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000772880437 581377327 /nfs/dbraw/zinc/37/73/27/581377327.db2.gz QCUAWJKVHMTHBP-UHFFFAOYSA-N 0 2 329.356 2.687 20 5 EFBDLN NC(=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(C(=O)[O-])c1 ZINC000833079460 604773417 /nfs/dbraw/zinc/77/34/17/604773417.db2.gz YIAUPKKLVCKGFE-UHFFFAOYSA-N 0 2 349.730 2.993 20 5 EFBDLN O=[N+]([O-])c1ccc(NOC[C@H]2CCOC2)nc1OCc1ccccc1 ZINC000788081959 1276033170 /nfs/dbraw/zinc/03/31/70/1276033170.db2.gz BZGUYEBRBBGRHY-AWEZNQCLSA-N 0 2 345.355 2.949 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](O)c1ccccc1 ZINC000790401170 1277540361 /nfs/dbraw/zinc/54/03/61/1277540361.db2.gz KBIXATZCUCDKEZ-SJORKVTESA-N 0 2 344.367 2.788 20 5 EFBDLN O=C(c1cnn(-c2cccc(F)c2[N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000790614976 1277699448 /nfs/dbraw/zinc/69/94/48/1277699448.db2.gz NJEYHBGGPTYZCR-UHFFFAOYSA-N 0 2 345.261 2.995 20 5 EFBDLN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000790870572 1277814343 /nfs/dbraw/zinc/81/43/43/1277814343.db2.gz YQSCUGDSPWINJX-UHFFFAOYSA-N 0 2 349.709 2.840 20 5 EFBDLN CSCCONC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000794190060 1280066040 /nfs/dbraw/zinc/06/60/40/1280066040.db2.gz OTTKOEIMXYXHRC-UHFFFAOYSA-N 0 2 336.822 2.751 20 5 EFBDLN O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1C1CCCCC1 ZINC000747187552 1280192073 /nfs/dbraw/zinc/19/20/73/1280192073.db2.gz FTGIMLPHRYZXDJ-XYOKQWHBSA-N 0 2 347.396 2.691 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC000813498501 1285968627 /nfs/dbraw/zinc/96/86/27/1285968627.db2.gz DDUMWOZRKFZIIZ-DOMZBBRYSA-N 0 2 342.307 2.543 20 5 EFBDLN C[C@@](O)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000815876760 1287863977 /nfs/dbraw/zinc/86/39/77/1287863977.db2.gz NQYRPMQUIHHJQZ-HNNXBMFYSA-N 0 2 336.731 2.800 20 5 EFBDLN O=c1ccoc2cc(O)cc(O[C@H]3Cc4ccc([N+](=O)[O-])cc4C3)c12 ZINC001233828161 1312999572 /nfs/dbraw/zinc/99/95/72/1312999572.db2.gz ZFHOERFNWHPHKH-AWEZNQCLSA-N 0 2 339.303 2.953 20 5 EFBDLN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc(O)c([N+](=O)[O-])c1)N2 ZINC000102418311 1294211511 /nfs/dbraw/zinc/21/15/11/1294211511.db2.gz GBYDDWMXSTXNOY-HNNXBMFYSA-N 0 2 329.312 2.505 20 5 EFBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000801561153 1310527514 /nfs/dbraw/zinc/52/75/14/1310527514.db2.gz PUDWWASVUCYWEZ-UHFFFAOYSA-N 0 2 345.311 2.523 20 5 EFBDLN COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619769 1311554768 /nfs/dbraw/zinc/55/47/68/1311554768.db2.gz IMWKKADLQMPYDS-AVGNSLFASA-N 0 2 343.376 2.524 20 5 EFBDLN O=c1c2ccccc2nc2n1CC[C@@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619456 1311554796 /nfs/dbraw/zinc/55/47/96/1311554796.db2.gz AWCFHTWNABAJMK-AWEZNQCLSA-N 0 2 339.307 2.534 20 5 EFBDLN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225621758 1311555064 /nfs/dbraw/zinc/55/50/64/1311555064.db2.gz CTOUGACNMHWWLZ-ZWNOBZJWSA-N 0 2 338.360 2.935 20 5 EFBDLN O=C1O[C@@H](COc2cccc(O)c2[N+](=O)[O-])CN1c1cccc(F)c1 ZINC001225622445 1311555446 /nfs/dbraw/zinc/55/54/46/1311555446.db2.gz HJIQOESZSDDVTQ-GFCCVEGCSA-N 0 2 348.286 2.844 20 5 EFBDLN CCO[C@@H](C)COc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685427 1311981625 /nfs/dbraw/zinc/98/16/25/1311981625.db2.gz GTKRJUQPXALOBR-NSHDSACASA-N 0 2 328.372 2.699 20 5 EFBDLN COC(=O)c1ccc([C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228969131 1312029104 /nfs/dbraw/zinc/02/91/04/1312029104.db2.gz ZJPIVIGODGYAET-SECBINFHSA-N 0 2 333.296 2.933 20 5 EFBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(=O)OCc1ccccc1 ZINC001228972608 1312030467 /nfs/dbraw/zinc/03/04/67/1312030467.db2.gz AKRJNRFCPDSIOJ-JTQLQIEISA-N 0 2 333.296 2.517 20 5 EFBDLN CCCSc1nc(O[C@@H](C)c2cnccn2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792612 1312140399 /nfs/dbraw/zinc/14/03/99/1312140399.db2.gz USZDYVVXEJSKHX-QMMMGPOBSA-N 0 2 337.361 2.523 20 5 EFBDLN CCCOC[C@H](C)Oc1nc(SCCC)[nH]c(=O)c1[N+](=O)[O-] ZINC001229791752 1312140661 /nfs/dbraw/zinc/14/06/61/1312140661.db2.gz LLAAFMQVOBARLR-VIFPVBQESA-N 0 2 331.394 2.786 20 5 EFBDLN CCCSc1nc(O[C@H](C)c2ncccn2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229796393 1312141591 /nfs/dbraw/zinc/14/15/91/1312141591.db2.gz KPHRUPQSODESKK-MRVPVSSYSA-N 0 2 337.361 2.523 20 5 EFBDLN O=[N+]([O-])C[C@H](Oc1cc2[nH]ncc2c(F)c1)c1ccc2c(c1)OCO2 ZINC001230934441 1312396893 /nfs/dbraw/zinc/39/68/93/1312396893.db2.gz LRUBIWKPNLABQY-INIZCTEOSA-N 0 2 345.286 2.828 20 5 EFBDLN CCc1cccnc1-c1noc(Cc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001247986353 1314878317 /nfs/dbraw/zinc/87/83/17/1314878317.db2.gz AGUARPKHNZAVTP-UHFFFAOYSA-N 0 2 326.312 2.899 20 5 EFBDLN O=[N+]([O-])c1cc(Cc2nc(-c3cccn4ccnc34)no2)ccc1O ZINC001247988608 1314878740 /nfs/dbraw/zinc/87/87/40/1314878740.db2.gz YRVCTIFYKBPEAO-UHFFFAOYSA-N 0 2 337.295 2.589 20 5 EFBDLN Cc1cc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)cc(C)n1 ZINC001247988097 1314878932 /nfs/dbraw/zinc/87/89/32/1314878932.db2.gz VZOLTMUYBYUMTC-UHFFFAOYSA-N 0 2 326.312 2.953 20 5 EFBDLN COc1ccnc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c1F ZINC001216682394 1314992396 /nfs/dbraw/zinc/99/23/96/1314992396.db2.gz ODTQTOFCGBUVPF-UHFFFAOYSA-N 0 2 332.247 2.560 20 5 EFBDLN COc1cc(-c2nc(-c3cncc(C)c3)no2)cc([N+](=O)[O-])c1O ZINC001216836921 1315013920 /nfs/dbraw/zinc/01/39/20/1315013920.db2.gz BQQYBNJOJYTWIF-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1nccc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1F ZINC001216847199 1315015109 /nfs/dbraw/zinc/01/51/09/1315015109.db2.gz VATQXVLNWGSVAE-UHFFFAOYSA-N 0 2 332.247 2.560 20 5 EFBDLN CC[C@@H]1[C@H](C)CCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001262902549 1316501292 /nfs/dbraw/zinc/50/12/92/1316501292.db2.gz IGDWZIKJICAUEM-ZYHUDNBSSA-N 0 2 331.376 2.721 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]c(Br)c1 ZINC001319853858 1329015833 /nfs/dbraw/zinc/01/58/33/1329015833.db2.gz IOEHNPMJXYPLRC-UHFFFAOYSA-N 0 2 326.106 2.643 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001338561579 1331716431 /nfs/dbraw/zinc/71/64/31/1331716431.db2.gz NTUHJKOVYSDRPX-YPMHNXCESA-N 0 2 343.387 2.865 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCS[C@H](C)C1 ZINC001339792998 1332098875 /nfs/dbraw/zinc/09/88/75/1332098875.db2.gz DARINKAIFWEJST-SNVBAGLBSA-N 0 2 349.416 2.521 20 5 EFBDLN CC[C@@H]1CCCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001339916959 1332113354 /nfs/dbraw/zinc/11/33/54/1332113354.db2.gz SENRCUFGTUQMPX-LLVKDONJSA-N 0 2 331.376 2.722 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2ocnc21 ZINC001345053349 1332505229 /nfs/dbraw/zinc/50/52/29/1332505229.db2.gz JQAQWJNOXZMZIP-UHFFFAOYSA-N 0 2 333.325 2.845 20 5 EFBDLN CC[C@@H]1CCCCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001351095411 1333179795 /nfs/dbraw/zinc/17/97/95/1333179795.db2.gz OJOKSBLLTZYKFO-GFCCVEGCSA-N 0 2 331.376 2.865 20 5 EFBDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001600686083 1412944680 /nfs/dbraw/zinc/94/46/80/1412944680.db2.gz QQTVOXCCGHBBPO-UHFFFAOYSA-N 0 2 340.133 2.609 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)cs1 ZINC000120295847 713054085 /nfs/dbraw/zinc/05/40/85/713054085.db2.gz ZSSRCGYLXZXXLH-UHFFFAOYSA-N 0 2 334.762 2.816 20 5 EFBDLN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000255372128 714863814 /nfs/dbraw/zinc/86/38/14/714863814.db2.gz DZXGHAZVIICDRI-SDQBBNPISA-N 0 2 328.255 2.784 20 5 EFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccnc(Cl)c1 ZINC000168608486 716560400 /nfs/dbraw/zinc/56/04/00/716560400.db2.gz OSUGVBVMWXEART-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000078002345 721069203 /nfs/dbraw/zinc/06/92/03/721069203.db2.gz OJEIMKUVJGDEPY-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(Nc1nc(-c2cccs2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000917514275 728752961 /nfs/dbraw/zinc/75/29/61/728752961.db2.gz FWJZXFRWEHGNIM-UHFFFAOYSA-N 0 2 333.304 2.833 20 5 EFBDLN Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1[N+](=O)[O-] ZINC000007357388 723436323 /nfs/dbraw/zinc/43/63/23/723436323.db2.gz VFCAWCONRATUHH-UHFFFAOYSA-N 0 2 345.739 2.770 20 5 EFBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000153008525 726372257 /nfs/dbraw/zinc/37/22/57/726372257.db2.gz FWSKWIJMPFORGD-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C(=O)[O-] ZINC001573727526 960420613 /nfs/dbraw/zinc/42/06/13/960420613.db2.gz VGFJXUVSNSHNFK-XHDPSFHLSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C(=O)[O-] ZINC001573727526 960420621 /nfs/dbraw/zinc/42/06/21/960420621.db2.gz VGFJXUVSNSHNFK-XHDPSFHLSA-N 0 2 345.355 2.935 20 5 EFBDLN O=C([O-])Cc1cc[nH+]c(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001602149460 1096091822 /nfs/dbraw/zinc/09/18/22/1096091822.db2.gz RAYXYWWRHKRZHB-UHFFFAOYSA-N 0 2 335.747 2.925 20 5 EFBDLN O=C([O-])c1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC001602371626 1096210057 /nfs/dbraw/zinc/21/00/57/1096210057.db2.gz QULXOOSJQGWSST-UHFFFAOYSA-N 0 2 347.396 2.677 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001602460484 1096256987 /nfs/dbraw/zinc/25/69/87/1096256987.db2.gz VZPADASHZOHJSQ-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC001602460484 1096256995 /nfs/dbraw/zinc/25/69/95/1096256995.db2.gz VZPADASHZOHJSQ-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001602462065 1096257479 /nfs/dbraw/zinc/25/74/79/1096257479.db2.gz WKWLRJUFBABCEM-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1cccc2c1OCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001602462065 1096257484 /nfs/dbraw/zinc/25/74/84/1096257484.db2.gz WKWLRJUFBABCEM-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN CC1(CC(F)F)C[NH+](Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001604568522 1096903812 /nfs/dbraw/zinc/90/38/12/1096903812.db2.gz AIZFJCWAIUQVHY-UHFFFAOYSA-N 0 2 344.314 2.535 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC001608942517 1098085146 /nfs/dbraw/zinc/08/51/46/1098085146.db2.gz YCAXRKFPHSIOEH-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC001608942517 1098085153 /nfs/dbraw/zinc/08/51/53/1098085153.db2.gz YCAXRKFPHSIOEH-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN CCc1ccc([C@H](COC)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC001610061157 1098534796 /nfs/dbraw/zinc/53/47/96/1098534796.db2.gz HULWCPFBMGPWMP-AWEZNQCLSA-N 0 2 348.355 2.926 20 5 EFBDLN Cc1cccc(CONC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000898931980 1109141603 /nfs/dbraw/zinc/14/16/03/1109141603.db2.gz GBPDYACQWGNFJG-UHFFFAOYSA-N 0 2 347.346 2.963 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000055547196 214328111 /nfs/dbraw/zinc/32/81/11/214328111.db2.gz ZAXXBOFMMFPKBQ-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000160756804 303975662 /nfs/dbraw/zinc/97/56/62/303975662.db2.gz PRPIKCIORBFPHX-ZDUSSCGKSA-N 0 2 334.372 2.912 20 5 EFBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCc2ccccc2C1 ZINC000179499296 233102897 /nfs/dbraw/zinc/10/28/97/233102897.db2.gz CQWBZDMKGSRHJV-CQSZACIVSA-N 0 2 326.352 2.930 20 5 EFBDLN Cc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181795198 234324237 /nfs/dbraw/zinc/32/42/37/234324237.db2.gz NHYCFLDITXEHNY-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN Cc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000183706126 235203760 /nfs/dbraw/zinc/20/37/60/235203760.db2.gz PJAVMPMVNJIPDV-NSHDSACASA-N 0 2 347.293 2.545 20 5 EFBDLN Cc1nn(C)c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1[N+](=O)[O-] ZINC000159227564 239023353 /nfs/dbraw/zinc/02/33/53/239023353.db2.gz WVRROMVYDUMXNC-UHFFFAOYSA-N 0 2 345.142 2.901 20 5 EFBDLN O=C(NCc1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000159406826 239027130 /nfs/dbraw/zinc/02/71/30/239027130.db2.gz NEANFQPUNYKVOM-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164071653 239111382 /nfs/dbraw/zinc/11/13/82/239111382.db2.gz XBBZXAOQPRZNMU-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000191812221 239313660 /nfs/dbraw/zinc/31/36/60/239313660.db2.gz YULSXFLVIVLSGZ-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000414389858 244127331 /nfs/dbraw/zinc/12/73/31/244127331.db2.gz UCEHSATUOLLTOD-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN CCOC(=O)c1coc(NCCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000418876073 245305930 /nfs/dbraw/zinc/30/59/30/245305930.db2.gz FTYZFOKRNSHLDY-UHFFFAOYSA-N 0 2 333.344 2.616 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C(C)=O)ccc1O ZINC000427707989 247385611 /nfs/dbraw/zinc/38/56/11/247385611.db2.gz UZTLOFPCRCBJKJ-UHFFFAOYSA-N 0 2 330.296 2.764 20 5 EFBDLN COCCN(C[C@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436612950 249554688 /nfs/dbraw/zinc/55/46/88/249554688.db2.gz ZESLUYNSALFUNJ-ZDUSSCGKSA-N 0 2 334.372 2.745 20 5 EFBDLN Cc1cnc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000267514206 251121171 /nfs/dbraw/zinc/12/11/71/251121171.db2.gz JRQWORXFNAACOO-QMMMGPOBSA-N 0 2 345.377 2.538 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc(C(C)C)o1 ZINC000153600191 224128360 /nfs/dbraw/zinc/12/83/60/224128360.db2.gz QXYFNZBVSSYDGD-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000118529095 221154032 /nfs/dbraw/zinc/15/40/32/221154032.db2.gz VLZOIMQQNWKABJ-IUODEOHRSA-N 0 2 336.388 2.872 20 5 EFBDLN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000118529093 221154244 /nfs/dbraw/zinc/15/42/44/221154244.db2.gz VLZOIMQQNWKABJ-DOMZBBRYSA-N 0 2 336.388 2.872 20 5 EFBDLN Cc1cc(N2CC[C@](C)(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263446993 141395312 /nfs/dbraw/zinc/39/53/12/141395312.db2.gz ZAJAJZCZTDZVCU-KRWDZBQOSA-N 0 2 342.355 2.661 20 5 EFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000343487060 142007297 /nfs/dbraw/zinc/00/72/97/142007297.db2.gz NHZVEIBAMGLZBW-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN CCN(C)C(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000346445935 142205565 /nfs/dbraw/zinc/20/55/65/142205565.db2.gz BQCXBXCIKNXWDN-UHFFFAOYSA-N 0 2 343.339 2.645 20 5 EFBDLN CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000342669458 145170049 /nfs/dbraw/zinc/17/00/49/145170049.db2.gz SZMCVSCVYFXELO-UHFFFAOYSA-N 0 2 325.371 2.513 20 5 EFBDLN COc1ccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000343844101 145307279 /nfs/dbraw/zinc/30/72/79/145307279.db2.gz DSOXFWUEPAUWBZ-UHFFFAOYSA-N 0 2 332.312 2.717 20 5 EFBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2 ZINC000343878187 145315104 /nfs/dbraw/zinc/31/51/04/145315104.db2.gz OXKDFURBYSCIGS-VIFPVBQESA-N 0 2 330.296 2.771 20 5 EFBDLN CC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000356292858 147203558 /nfs/dbraw/zinc/20/35/58/147203558.db2.gz KAEBEGFVMOVQTN-LBPRGKRZSA-N 0 2 349.368 2.568 20 5 EFBDLN COc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000356321789 147211159 /nfs/dbraw/zinc/21/11/59/147211159.db2.gz NMAUVDZDCBPMOV-UHFFFAOYSA-N 0 2 332.312 2.635 20 5 EFBDLN CCCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)n1 ZINC000359264580 148040324 /nfs/dbraw/zinc/04/03/24/148040324.db2.gz PWLLFIVBJYVHOG-UHFFFAOYSA-N 0 2 332.360 2.535 20 5 EFBDLN Cc1c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2nn1C ZINC000359595954 148134279 /nfs/dbraw/zinc/13/42/79/148134279.db2.gz NNURVELJXQHGSY-UHFFFAOYSA-N 0 2 346.368 2.591 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000368643493 150170121 /nfs/dbraw/zinc/17/01/21/150170121.db2.gz AODSKLWLFPPZLA-LLVKDONJSA-N 0 2 345.330 2.905 20 5 EFBDLN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@](O)(C2CC2)C1 ZINC000377490600 151882841 /nfs/dbraw/zinc/88/28/41/151882841.db2.gz PTLLLGCOODJUIK-CYBMUJFWSA-N 0 2 327.178 2.709 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](c2ccccc2)CO1 ZINC000187497437 296921780 /nfs/dbraw/zinc/92/17/80/296921780.db2.gz ACYOHNIBDSOHDB-MLGOLLRUSA-N 0 2 342.351 2.903 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2c(F)cc(F)cc2C1 ZINC000436965574 304505195 /nfs/dbraw/zinc/50/51/95/304505195.db2.gz KVLGQTCADODJIT-UHFFFAOYSA-N 0 2 334.278 2.777 20 5 EFBDLN CC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000188828058 265156982 /nfs/dbraw/zinc/15/69/82/265156982.db2.gz GSAYBHNCBZASKG-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN Cn1ccc2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c21 ZINC000190855895 265240301 /nfs/dbraw/zinc/24/03/01/265240301.db2.gz OMHWYWAYLOAEER-UHFFFAOYSA-N 0 2 331.353 2.887 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000191906469 265282519 /nfs/dbraw/zinc/28/25/19/265282519.db2.gz UUXPIEHNTCXWLR-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1C ZINC000193702941 265342480 /nfs/dbraw/zinc/34/24/80/265342480.db2.gz CQJHPBQHFCFGTG-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)c(C)o1 ZINC000272187852 266181905 /nfs/dbraw/zinc/18/19/05/266181905.db2.gz UTGHIIHZTPOPIB-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272421407 266259780 /nfs/dbraw/zinc/25/97/80/266259780.db2.gz QGFHNBRHWMFMMM-KRWDZBQOSA-N 0 2 342.351 2.686 20 5 EFBDLN O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000105944141 273004795 /nfs/dbraw/zinc/00/47/95/273004795.db2.gz AMXSEVPMFLGHKM-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000276582758 267018273 /nfs/dbraw/zinc/01/82/73/267018273.db2.gz IVBBOOBTJQDSIK-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN CCc1ccc([C@@H](COC)NC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000184814384 273049893 /nfs/dbraw/zinc/04/98/93/273049893.db2.gz TWSDDRYZMCSUHC-CYBMUJFWSA-N 0 2 334.328 2.573 20 5 EFBDLN CCc1ccccc1S(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000188108025 273054682 /nfs/dbraw/zinc/05/46/82/273054682.db2.gz DUEANEREEDCHPX-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000282138186 273519106 /nfs/dbraw/zinc/51/91/06/273519106.db2.gz PTIZFDSMVITIBH-CAPXZKIUSA-N 0 2 348.399 2.702 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000284151906 273803595 /nfs/dbraw/zinc/80/35/95/273803595.db2.gz RPPULDBMIWNYJN-UHFFFAOYSA-N 0 2 339.373 2.990 20 5 EFBDLN C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@@H]1C2(Cl)Cl ZINC000286057286 274124854 /nfs/dbraw/zinc/12/48/54/274124854.db2.gz CPUCGRAOQOQQOY-WCQYABFASA-N 0 2 345.182 2.956 20 5 EFBDLN C[C@@]12CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]1C2(Cl)Cl ZINC000286182315 274149004 /nfs/dbraw/zinc/14/90/04/274149004.db2.gz JUNCCYXVYWRYJI-WCQYABFASA-N 0 2 345.182 2.956 20 5 EFBDLN CC1(C)Cc2cc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])ccc2O1 ZINC000287044009 274328754 /nfs/dbraw/zinc/32/87/54/274328754.db2.gz IEGHQMURJJSVKP-HWKANZROSA-N 0 2 329.312 2.680 20 5 EFBDLN CC(C)(C)c1nc(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)s[nH]1 ZINC000342881524 278569414 /nfs/dbraw/zinc/56/94/14/278569414.db2.gz LPQPCPPAETZNIS-UHFFFAOYSA-N 0 2 345.384 2.899 20 5 EFBDLN CC(C)[C@@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2O)CC12CCOCC2 ZINC000413988029 280061022 /nfs/dbraw/zinc/06/10/22/280061022.db2.gz XBMYWDZAGCJHND-HNNXBMFYSA-N 0 2 334.372 2.578 20 5 EFBDLN CC(C)[C@H]1N(C(=O)c2cc([N+](=O)[O-])ccc2O)CC12CCOCC2 ZINC000413988033 280468785 /nfs/dbraw/zinc/46/87/85/280468785.db2.gz XBMYWDZAGCJHND-OAHLLOKOSA-N 0 2 334.372 2.578 20 5 EFBDLN CN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000180091724 290031132 /nfs/dbraw/zinc/03/11/32/290031132.db2.gz DNKBNAZFOMBDFH-UHFFFAOYSA-N 0 2 331.303 2.536 20 5 EFBDLN CN1Cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2NC1=O ZINC000369011144 290312475 /nfs/dbraw/zinc/31/24/75/290312475.db2.gz PTMSSYXJWXJJQM-UHFFFAOYSA-N 0 2 342.311 2.530 20 5 EFBDLN CC(=O)Nc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000255506258 293863075 /nfs/dbraw/zinc/86/30/75/293863075.db2.gz YTXVNRVKAFFUHQ-WTKPLQERSA-N 0 2 341.323 2.911 20 5 EFBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H](F)C(F)(F)F ZINC000290310133 294053212 /nfs/dbraw/zinc/05/32/12/294053212.db2.gz CXJBLAGQYAMQHR-VIFPVBQESA-N 0 2 328.649 2.807 20 5 EFBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)C(F)(F)F ZINC000290310133 294053214 /nfs/dbraw/zinc/05/32/14/294053214.db2.gz CXJBLAGQYAMQHR-VIFPVBQESA-N 0 2 328.649 2.807 20 5 EFBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](F)C(F)(F)F ZINC000290310132 294053472 /nfs/dbraw/zinc/05/34/72/294053472.db2.gz CXJBLAGQYAMQHR-SECBINFHSA-N 0 2 328.649 2.807 20 5 EFBDLN O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])C(F)C(F)(F)F ZINC000290310132 294053473 /nfs/dbraw/zinc/05/34/73/294053473.db2.gz CXJBLAGQYAMQHR-SECBINFHSA-N 0 2 328.649 2.807 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cc(C3CC3)ccn2)cc1[N+](=O)[O-] ZINC000290904364 294216360 /nfs/dbraw/zinc/21/63/60/294216360.db2.gz FTEUNOOJOSOIHM-UHFFFAOYSA-N 0 2 349.368 2.677 20 5 EFBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1c1ccncc1 ZINC000294133804 295116404 /nfs/dbraw/zinc/11/64/04/295116404.db2.gz ZTDSUQMQMDTWJE-HNNXBMFYSA-N 0 2 327.340 2.919 20 5 EFBDLN COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000364753017 295259963 /nfs/dbraw/zinc/25/99/63/295259963.db2.gz DDPLKISXZSUZRT-UHFFFAOYSA-N 0 2 342.351 2.550 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1COc1ccccc1 ZINC000295649982 295354699 /nfs/dbraw/zinc/35/46/99/295354699.db2.gz ZMHSQWGGEKSVOI-AWEZNQCLSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(Nc1ncc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000295848805 295385582 /nfs/dbraw/zinc/38/55/82/295385582.db2.gz DEUYFJZCSAXQGZ-UHFFFAOYSA-N 0 2 349.368 2.903 20 5 EFBDLN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000184781517 300448558 /nfs/dbraw/zinc/44/85/58/300448558.db2.gz HXHWVYTWGOEHKV-NHYWBVRUSA-N 0 2 327.340 2.919 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1C ZINC000178157466 301861393 /nfs/dbraw/zinc/86/13/93/301861393.db2.gz ZJWALSZFHQECSK-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3n[nH]cc3c2)c1C ZINC000152247738 301861413 /nfs/dbraw/zinc/86/14/13/301861413.db2.gz NTDQCPREGLYPFI-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CC(C)(O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436984077 312606156 /nfs/dbraw/zinc/60/61/56/312606156.db2.gz YOCUXNBDWVWJBO-UHFFFAOYSA-N 0 2 346.339 2.702 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC000436992753 312607265 /nfs/dbraw/zinc/60/72/65/312607265.db2.gz YAHCGWNEZQSDEA-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000436997530 312608677 /nfs/dbraw/zinc/60/86/77/312608677.db2.gz NIGILKCFLVRZQL-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN CCc1cccnc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000443413554 312651684 /nfs/dbraw/zinc/65/16/84/312651684.db2.gz ZUQSISGPTUVNSB-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN Cc1oc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1C1CC1 ZINC000451051780 312806420 /nfs/dbraw/zinc/80/64/20/312806420.db2.gz CJTTZLFOIWXWGC-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN CCc1cc(NC[C@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000516297591 315670023 /nfs/dbraw/zinc/67/00/23/315670023.db2.gz GYPVYOAXBVBHQK-LLVKDONJSA-N 0 2 344.371 2.559 20 5 EFBDLN CCOC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000524127090 316147478 /nfs/dbraw/zinc/14/74/78/316147478.db2.gz BQOCBMCNXFCXCB-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN Cc1[nH+]c2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc2n1C ZINC000524746227 316170957 /nfs/dbraw/zinc/17/09/57/316170957.db2.gz VRIYNNJXROJSIK-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(-c2ccccc2F)c1 ZINC000538870541 317709183 /nfs/dbraw/zinc/70/91/83/317709183.db2.gz LWBPBNZIWZRETD-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC=C(c2ccccn2)C1 ZINC000552731895 318261942 /nfs/dbraw/zinc/26/19/42/318261942.db2.gz CIBXUFUIMUDSSG-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(C(C)C)c2)c1[N+](=O)[O-] ZINC000555388678 318355591 /nfs/dbraw/zinc/35/55/91/318355591.db2.gz HUZGBZHRVANTFB-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=C([O-])[C@H]1CC12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000567984681 319233717 /nfs/dbraw/zinc/23/37/17/319233717.db2.gz YAGFULKBKUOJDW-CQSZACIVSA-N 0 2 327.340 2.834 20 5 EFBDLN C[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000184928590 323378142 /nfs/dbraw/zinc/37/81/42/323378142.db2.gz LMDZUWMWIWCGFE-MRVPVSSYSA-N 0 2 329.291 2.747 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cncc3ccccc32)c1 ZINC000579911773 324053584 /nfs/dbraw/zinc/05/35/84/324053584.db2.gz FHDQPIILEDXZES-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN Cn1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1-c1ccccc1 ZINC000095986001 473243778 /nfs/dbraw/zinc/24/37/78/473243778.db2.gz BGWRCWQYPVGGPK-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184888610 473265517 /nfs/dbraw/zinc/26/55/17/473265517.db2.gz VYNWXPJZJAUHQO-TVQRCGJNSA-N 0 2 336.369 2.604 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000162031232 473296252 /nfs/dbraw/zinc/29/62/52/473296252.db2.gz HZXRGVILCLOVBH-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c([N+](=O)[O-])c1 ZINC000083577547 473352464 /nfs/dbraw/zinc/35/24/64/473352464.db2.gz GHBKPNLDUAUKTN-UHFFFAOYSA-N 0 2 346.368 2.591 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])s1 ZINC000083956065 473376877 /nfs/dbraw/zinc/37/68/77/473376877.db2.gz SVXVTAPVIYVYMK-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN Cc1ccc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000013947989 471845788 /nfs/dbraw/zinc/84/57/88/471845788.db2.gz GFFRNGICNVDEFQ-UHFFFAOYSA-N 0 2 349.393 2.736 20 5 EFBDLN CC(C)COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000033470863 471984897 /nfs/dbraw/zinc/98/48/97/471984897.db2.gz GBVXXHIXDAOYGO-YVMONPNESA-N 0 2 331.328 2.589 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000031178259 472366141 /nfs/dbraw/zinc/36/61/41/472366141.db2.gz QHRHVSUDAQHNCU-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN CCc1ccc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)o1 ZINC000077039617 472449301 /nfs/dbraw/zinc/44/93/01/472449301.db2.gz AKZCTHQJNNSLRR-AWEZNQCLSA-N 0 2 346.339 2.670 20 5 EFBDLN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C2 ZINC000089531190 472456752 /nfs/dbraw/zinc/45/67/52/472456752.db2.gz DBOOKSQLVDLPKH-INIZCTEOSA-N 0 2 328.324 2.859 20 5 EFBDLN CCCc1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000089530989 472457187 /nfs/dbraw/zinc/45/71/87/472457187.db2.gz ZJQYXZVVXUNQOY-UHFFFAOYSA-N 0 2 334.332 2.597 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(CC(F)(F)F)CC1 ZINC000089531214 472457316 /nfs/dbraw/zinc/45/73/16/472457316.db2.gz XAOZERIRZWRJDH-UHFFFAOYSA-N 0 2 347.293 2.513 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cccc(F)c2C)ccc1[N+](=O)[O-] ZINC000097144366 472464649 /nfs/dbraw/zinc/46/46/49/472464649.db2.gz FGLQIVSRVCTRSE-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)COCc1ccccc1 ZINC000097152924 472466517 /nfs/dbraw/zinc/46/65/17/472466517.db2.gz MOCTYBGSXNWWHD-CYBMUJFWSA-N 0 2 344.367 2.883 20 5 EFBDLN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070898081 472520105 /nfs/dbraw/zinc/52/01/05/472520105.db2.gz NCJAJXHHKSRAPH-UHFFFAOYSA-N 0 2 344.323 2.691 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1C ZINC000103059813 472607449 /nfs/dbraw/zinc/60/74/49/472607449.db2.gz KZCIWFMUKRNTHN-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000072542855 472674985 /nfs/dbraw/zinc/67/49/85/472674985.db2.gz PHZONAAFBQSJPW-UHFFFAOYSA-N 0 2 348.258 2.519 20 5 EFBDLN O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131888727 472698999 /nfs/dbraw/zinc/69/89/99/472698999.db2.gz YFNWSUJBSZQKBF-QGZVFWFLSA-N 0 2 329.356 2.522 20 5 EFBDLN Cc1ccc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000072758345 472711743 /nfs/dbraw/zinc/71/17/43/472711743.db2.gz HJHYKBRDUXITLQ-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccncc1Cl ZINC000072911375 472739997 /nfs/dbraw/zinc/73/99/97/472739997.db2.gz CHCQOFITWRWWKT-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccc(F)cc2C1 ZINC000092549132 472933190 /nfs/dbraw/zinc/93/31/90/472933190.db2.gz IDNGUBUCMSUHQH-SNVBAGLBSA-N 0 2 332.287 2.629 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OCC(F)F)nc1 ZINC000092547092 472933855 /nfs/dbraw/zinc/93/38/55/472933855.db2.gz MRGDRZXRFABWLV-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN COCc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000107775264 472981986 /nfs/dbraw/zinc/98/19/86/472981986.db2.gz GVWIACFWKZABSX-UHFFFAOYSA-N 0 2 334.303 2.516 20 5 EFBDLN CN(C)c1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc2o1 ZINC000158989693 472987910 /nfs/dbraw/zinc/98/79/10/472987910.db2.gz MMCFLIFJBPJMMU-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN CN(C)c1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000134952514 472998641 /nfs/dbraw/zinc/99/86/41/472998641.db2.gz SUIYVLBATVWLMG-UHFFFAOYSA-N 0 2 329.356 2.639 20 5 EFBDLN O=C(C[C@@H]1OCCc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000135340564 473059424 /nfs/dbraw/zinc/05/94/24/473059424.db2.gz JIKMVLOHGWUQGO-INIZCTEOSA-N 0 2 328.324 2.943 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066250027 473064617 /nfs/dbraw/zinc/06/46/17/473064617.db2.gz BUPMICKVYQNQHT-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C(C)C)c2)c1C ZINC000066585592 473118295 /nfs/dbraw/zinc/11/82/95/473118295.db2.gz JPYIIHBGONTQFI-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(-n3cnc4ccccc43)nc2)no1 ZINC000075136582 473137355 /nfs/dbraw/zinc/13/73/55/473137355.db2.gz LHHLJCNZVGVKLK-BXUZGUMPSA-N 0 2 348.322 2.603 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000160564017 473143155 /nfs/dbraw/zinc/14/31/55/473143155.db2.gz YKRNSAWESCDPJE-UHFFFAOYSA-N 0 2 330.369 2.838 20 5 EFBDLN CCNC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000185361356 473405584 /nfs/dbraw/zinc/40/55/84/473405584.db2.gz FIZGAPQZOKFRBA-UHFFFAOYSA-N 0 2 343.339 2.611 20 5 EFBDLN Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000185612518 473467356 /nfs/dbraw/zinc/46/73/56/473467356.db2.gz DKCSJYQYAVWWBQ-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000163921258 473471680 /nfs/dbraw/zinc/47/16/80/473471680.db2.gz IOVVZPDEIYXCPF-UHFFFAOYSA-N 0 2 340.382 2.968 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000185632239 473473158 /nfs/dbraw/zinc/47/31/58/473473158.db2.gz JDBPXPDILNBHIA-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(F)ccc2O)c1C ZINC000126092282 473487539 /nfs/dbraw/zinc/48/75/39/473487539.db2.gz DZXYZQPAWUYVCK-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191419373 473537076 /nfs/dbraw/zinc/53/70/76/473537076.db2.gz FSSNMSBBHMFJAC-OAHLLOKOSA-N 0 2 344.367 2.630 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000172183394 473543831 /nfs/dbraw/zinc/54/38/31/473543831.db2.gz ILQSMMFIMHSVLW-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN CC(C)n1nccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127257577 473593527 /nfs/dbraw/zinc/59/35/27/473593527.db2.gz RUTVIFRKCJZRPQ-UHFFFAOYSA-N 0 2 344.780 2.826 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000172904567 473700384 /nfs/dbraw/zinc/70/03/84/473700384.db2.gz FHKODAWQDHVXAW-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1noc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000192732014 473715607 /nfs/dbraw/zinc/71/56/07/473715607.db2.gz BNFOGHYRRFCIOT-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000281448487 473725570 /nfs/dbraw/zinc/72/55/70/473725570.db2.gz BHORUQFXKOXJEM-ZDUSSCGKSA-N 0 2 344.371 2.884 20 5 EFBDLN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187356398 473861383 /nfs/dbraw/zinc/86/13/83/473861383.db2.gz HDMLIURWQYDKMC-IAQYHMDHSA-N 0 2 327.340 2.919 20 5 EFBDLN CC(C)c1scnc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000288208438 473875287 /nfs/dbraw/zinc/87/52/87/473875287.db2.gz LHCDCJIWOGZGKO-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000180757712 473958098 /nfs/dbraw/zinc/95/80/98/473958098.db2.gz ODDKIJUWJKPJMY-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN CN(CCN(C)c1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181991863 474076020 /nfs/dbraw/zinc/07/60/20/474076020.db2.gz QFXJVVGFSYHVQU-UHFFFAOYSA-N 0 2 329.356 2.509 20 5 EFBDLN CC(C)(C)Oc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000182102556 474100230 /nfs/dbraw/zinc/10/02/30/474100230.db2.gz IAYZMKDLUFEJQD-UHFFFAOYSA-N 0 2 345.355 2.803 20 5 EFBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C12CCC2 ZINC000182121386 474104015 /nfs/dbraw/zinc/10/40/15/474104015.db2.gz RKCYRBYEYMNGPT-CABCVRRESA-N 0 2 334.372 2.720 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccccc21 ZINC000182158359 474111657 /nfs/dbraw/zinc/11/16/57/474111657.db2.gz RWPUZGZFXRQQLP-YGRLFVJLSA-N 0 2 328.324 2.595 20 5 EFBDLN CC(C)(C)OCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000189230435 474332139 /nfs/dbraw/zinc/33/21/39/474332139.db2.gz RTFINLKZECHFBJ-UHFFFAOYSA-N 0 2 349.343 2.534 20 5 EFBDLN CNC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000183441530 474379422 /nfs/dbraw/zinc/37/94/22/474379422.db2.gz NCAXUFJJMDXZFW-UHFFFAOYSA-N 0 2 349.730 2.566 20 5 EFBDLN O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(O)c1F ZINC000183445712 474380677 /nfs/dbraw/zinc/38/06/77/474380677.db2.gz LTDVYUFGSQPWKV-UHFFFAOYSA-N 0 2 326.230 2.648 20 5 EFBDLN COc1cc(F)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000608850953 480100350 /nfs/dbraw/zinc/10/03/50/480100350.db2.gz PJIFZTFWOLKOLN-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000176397395 474461973 /nfs/dbraw/zinc/46/19/73/474461973.db2.gz TWMCZYZQGPGYTE-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CC(C)c1nnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000176596471 474504561 /nfs/dbraw/zinc/50/45/61/474504561.db2.gz NOQVWBNFQVYIGN-UHFFFAOYSA-N 0 2 346.365 2.510 20 5 EFBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]c2c1C(=O)CCC2 ZINC000271459809 474555942 /nfs/dbraw/zinc/55/59/42/474555942.db2.gz HVAOHJIHBHPTBF-UHFFFAOYSA-N 0 2 329.312 2.708 20 5 EFBDLN CC(C)c1nn(C)cc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000292879453 474692171 /nfs/dbraw/zinc/69/21/71/474692171.db2.gz AMILNISIMSMDEZ-UHFFFAOYSA-N 0 2 329.316 2.874 20 5 EFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000273159708 474748354 /nfs/dbraw/zinc/74/83/54/474748354.db2.gz AYEXDQOLGFXBOV-UHFFFAOYSA-N 0 2 333.369 2.669 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000337174577 474757515 /nfs/dbraw/zinc/75/75/15/474757515.db2.gz IBTNNXWJHLQACD-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1F ZINC000313219552 474856401 /nfs/dbraw/zinc/85/64/01/474856401.db2.gz MAIOMSCNPBKUTE-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN COC(=O)CCCCCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000268397036 474957890 /nfs/dbraw/zinc/95/78/90/474957890.db2.gz HWAQVLUGVUHDFD-UHFFFAOYSA-N 0 2 338.360 2.544 20 5 EFBDLN Cc1ccccc1S(=O)(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000345187336 474972758 /nfs/dbraw/zinc/97/27/58/474972758.db2.gz KAUOTMUFECLJEI-UHFFFAOYSA-N 0 2 343.364 2.674 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000339413974 475200937 /nfs/dbraw/zinc/20/09/37/475200937.db2.gz VUNBMVJZEVFEOP-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN Cc1ccc2ncc(-c3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)n2c1 ZINC000347335588 475241139 /nfs/dbraw/zinc/24/11/39/475241139.db2.gz KUDAVAMHKZEQKR-UHFFFAOYSA-N 0 2 337.295 2.974 20 5 EFBDLN CC(C)(C(=O)Nc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000337726298 475276098 /nfs/dbraw/zinc/27/60/98/475276098.db2.gz CHBLQNHPWSFRQL-UHFFFAOYSA-N 0 2 325.328 2.782 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000337868639 475391731 /nfs/dbraw/zinc/39/17/31/475391731.db2.gz PNRCZBDHCUVWDT-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000337883023 475404541 /nfs/dbraw/zinc/40/45/41/475404541.db2.gz ZNGDUECISDLJKC-UHFFFAOYSA-N 0 2 325.346 2.508 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc([S@](C)=O)cc1 ZINC000339762231 475478331 /nfs/dbraw/zinc/47/83/31/475478331.db2.gz TXDGZFFJRKWDSI-ZZDSUILFSA-N 0 2 348.380 2.529 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCC(=O)c2ccccc21 ZINC000339957983 475640687 /nfs/dbraw/zinc/64/06/87/475640687.db2.gz ACLLOSOTLPZODX-ZDUSSCGKSA-N 0 2 326.308 2.999 20 5 EFBDLN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000355083980 475653742 /nfs/dbraw/zinc/65/37/42/475653742.db2.gz VGOGEKLDZGODFY-UHFFFAOYSA-N 0 2 326.356 2.862 20 5 EFBDLN CCOC(=O)c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000348659166 475803187 /nfs/dbraw/zinc/80/31/87/475803187.db2.gz IWLGRNLOOKXGTQ-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000358783570 475934237 /nfs/dbraw/zinc/93/42/37/475934237.db2.gz CUJGLJXRGVNNLA-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000362129299 476018462 /nfs/dbraw/zinc/01/84/62/476018462.db2.gz LNWKACWWCINZSB-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2n[nH]cc2c1 ZINC000343414620 476042978 /nfs/dbraw/zinc/04/29/78/476042978.db2.gz UBJOARVWLKKSAL-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN O=C(CSCC(=O)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000340542650 476097474 /nfs/dbraw/zinc/09/74/74/476097474.db2.gz AUKXDIBORNDBQJ-UHFFFAOYSA-N 0 2 346.364 2.855 20 5 EFBDLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000359422014 476232388 /nfs/dbraw/zinc/23/23/88/476232388.db2.gz YPUMPAZBJGUUER-NSHDSACASA-N 0 2 335.385 2.726 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000357327632 476332936 /nfs/dbraw/zinc/33/29/36/476332936.db2.gz TYPYKEXQDLBSEH-UHFFFAOYSA-N 0 2 349.347 2.663 20 5 EFBDLN CC(C)n1ncc2c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000373474361 476407121 /nfs/dbraw/zinc/40/71/21/476407121.db2.gz XXKYQIRYZCEIBF-AWEZNQCLSA-N 0 2 344.371 2.885 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)c([N+](=O)[O-])c1 ZINC000357549301 476447934 /nfs/dbraw/zinc/44/79/34/476447934.db2.gz UVJKAODZOKXPRE-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@H]1c1ccccc1 ZINC000364371127 476522918 /nfs/dbraw/zinc/52/29/18/476522918.db2.gz UZQXFHJUYSPHOC-HNNXBMFYSA-N 0 2 328.324 2.514 20 5 EFBDLN C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000396964627 476852425 /nfs/dbraw/zinc/85/24/25/476852425.db2.gz KBFATRBRYRIJSB-ZETCQYMHSA-N 0 2 344.286 2.601 20 5 EFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(F)(c2cccnc2)CC1 ZINC000375895413 477068219 /nfs/dbraw/zinc/06/82/19/477068219.db2.gz MHFJFVSDOBDPBV-UHFFFAOYSA-N 0 2 345.330 2.796 20 5 EFBDLN O=C(Nc1cc(-c2cccc(F)c2)on1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000448544462 477187446 /nfs/dbraw/zinc/18/74/46/477187446.db2.gz UHIYVZXYRCVRQQ-UHFFFAOYSA-N 0 2 343.270 2.769 20 5 EFBDLN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000436540995 477509596 /nfs/dbraw/zinc/50/95/96/477509596.db2.gz YPXWMVVFOQIALH-UHFFFAOYSA-N 0 2 331.115 2.593 20 5 EFBDLN O=C(NCc1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])cc1O ZINC000436655610 477548628 /nfs/dbraw/zinc/54/86/28/477548628.db2.gz GLQVMPGKZKKHFT-UHFFFAOYSA-N 0 2 326.230 2.648 20 5 EFBDLN O=C(NCCCSc1ccccn1)c1ccc([N+](=O)[O-])cc1O ZINC000436709773 477565966 /nfs/dbraw/zinc/56/59/66/477565966.db2.gz PHJFEEMYTSTZIW-UHFFFAOYSA-N 0 2 333.369 2.608 20 5 EFBDLN O=C(Nc1ccc(OC(F)F)nc1)c1ccc([N+](=O)[O-])cc1O ZINC000436716847 477569714 /nfs/dbraw/zinc/56/97/14/477569714.db2.gz AMLXEXBXOSVJIV-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436737224 477576025 /nfs/dbraw/zinc/57/60/25/477576025.db2.gz PRRNQHIIRJRYGI-AYVTZFPOSA-N 0 2 332.287 2.692 20 5 EFBDLN O=C(Nc1ccc(OC(F)F)cn1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436859883 477616493 /nfs/dbraw/zinc/61/64/93/477616493.db2.gz MOQDYAJNYRZRGN-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436869609 477620114 /nfs/dbraw/zinc/62/01/14/477620114.db2.gz MYKHDAQIOXGZPC-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])cc1O ZINC000436867134 477620647 /nfs/dbraw/zinc/62/06/47/477620647.db2.gz AUQHDPYXJRXDEO-UHFFFAOYSA-N 0 2 343.314 2.893 20 5 EFBDLN Cc1ccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cn1 ZINC000436894744 477628294 /nfs/dbraw/zinc/62/82/94/477628294.db2.gz GOAQKXOUGBMQBL-UHFFFAOYSA-N 0 2 339.351 2.933 20 5 EFBDLN O=[N+]([O-])c1ccc(Cc2noc(-c3ccc(Cl)cc3O)n2)nc1 ZINC000436945317 477645576 /nfs/dbraw/zinc/64/55/76/477645576.db2.gz PHZCJTSXJRGLQB-UHFFFAOYSA-N 0 2 332.703 2.990 20 5 EFBDLN COC(=O)c1c(C)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436946482 477645929 /nfs/dbraw/zinc/64/59/29/477645929.db2.gz JFCTXJMKGNVCKJ-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN COc1ccc(F)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955588 477647325 /nfs/dbraw/zinc/64/73/25/477647325.db2.gz LODMVOGXWRNTQU-VIFPVBQESA-N 0 2 334.303 2.939 20 5 EFBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436957960 477647468 /nfs/dbraw/zinc/64/74/68/477647468.db2.gz YTAFFNJAFSXBAT-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN O=C(N[C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436960063 477649762 /nfs/dbraw/zinc/64/97/62/477649762.db2.gz PBWFUHUIXVMSIS-CYBMUJFWSA-N 0 2 332.287 2.693 20 5 EFBDLN CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436963893 477650621 /nfs/dbraw/zinc/65/06/21/477650621.db2.gz DXJVMFGFQXDOPR-LSDHHAIUSA-N 0 2 336.388 2.966 20 5 EFBDLN O=C(Nc1nnc(-c2ccco2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436962871 477651302 /nfs/dbraw/zinc/65/13/02/477651302.db2.gz YBLZNTBKJOHCBG-UHFFFAOYSA-N 0 2 332.297 2.664 20 5 EFBDLN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436969837 477652189 /nfs/dbraw/zinc/65/21/89/477652189.db2.gz ZQQWQIAOKZMHOZ-DLBZAZTESA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000436973697 477654136 /nfs/dbraw/zinc/65/41/36/477654136.db2.gz UMMALTNAKINRLY-LBPRGKRZSA-N 0 2 334.715 2.817 20 5 EFBDLN CC(C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1ccccc1 ZINC000436974487 477654866 /nfs/dbraw/zinc/65/48/66/477654866.db2.gz YXVVATKOSRIVEJ-UHFFFAOYSA-N 0 2 330.340 2.888 20 5 EFBDLN COc1cc(OC)c(OC)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436975057 477654917 /nfs/dbraw/zinc/65/49/17/477654917.db2.gz GGIVBXDEZJUYFR-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN COC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436991482 477657895 /nfs/dbraw/zinc/65/78/95/477657895.db2.gz VEKBGJOTNYBUSW-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN COc1ccccc1C(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985006 477658338 /nfs/dbraw/zinc/65/83/38/477658338.db2.gz BPONUOOGKDMKKD-UHFFFAOYSA-N 0 2 330.340 2.974 20 5 EFBDLN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437620249 477729369 /nfs/dbraw/zinc/72/93/69/477729369.db2.gz LQTVSSPBIWCSJF-LLVKDONJSA-N 0 2 345.355 3.000 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC000451094605 477820722 /nfs/dbraw/zinc/82/07/22/477820722.db2.gz IPJNUOMYWUUIKR-UHFFFAOYSA-N 0 2 347.396 2.896 20 5 EFBDLN CC(C)c1ncsc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000451103293 477825449 /nfs/dbraw/zinc/82/54/49/477825449.db2.gz BDRWZZCPKCJXOO-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN CCOc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000516875860 478002964 /nfs/dbraw/zinc/00/29/64/478002964.db2.gz YLIQGMUKNFWZLQ-CQSZACIVSA-N 0 2 330.388 2.717 20 5 EFBDLN COc1ccccc1[C@@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000439728860 478021368 /nfs/dbraw/zinc/02/13/68/478021368.db2.gz AGALAULSLLVMCH-FUHWJXTLSA-N 0 2 342.351 2.769 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000562495338 478257637 /nfs/dbraw/zinc/25/76/37/478257637.db2.gz LLOPHYRZZAXLAM-CQSZACIVSA-N 0 2 344.323 2.720 20 5 EFBDLN CC(C)(C)OC(=O)C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC=CC1 ZINC000597441181 478353977 /nfs/dbraw/zinc/35/39/77/478353977.db2.gz DVUZGMDERXXCLL-UHFFFAOYSA-N 0 2 348.355 2.917 20 5 EFBDLN CCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000540925327 478510992 /nfs/dbraw/zinc/51/09/92/478510992.db2.gz IRTWXBFNIOWQRJ-UHFFFAOYSA-N 0 2 343.339 2.579 20 5 EFBDLN CCc1cc(NCCCCC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000591326868 478523898 /nfs/dbraw/zinc/52/38/98/478523898.db2.gz CPBWNJXAPKRCMO-UHFFFAOYSA-N 0 2 344.371 2.703 20 5 EFBDLN O=C(NC1(c2ccccc2)CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000541861848 478599318 /nfs/dbraw/zinc/59/93/18/478599318.db2.gz QKSJCDFUCVZTAI-UHFFFAOYSA-N 0 2 342.351 2.736 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1C ZINC000571939371 478711528 /nfs/dbraw/zinc/71/15/28/478711528.db2.gz LAXIXWPTVJNMCM-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734363 478995380 /nfs/dbraw/zinc/99/53/80/478995380.db2.gz KXQJYGAOLSWZSU-UHFFFAOYSA-N 0 2 338.389 2.859 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)oc1C ZINC000598735186 478997393 /nfs/dbraw/zinc/99/73/93/478997393.db2.gz SCNAEAXCTSLLRQ-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN C[C@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596051982 479109027 /nfs/dbraw/zinc/10/90/27/479109027.db2.gz WCYXLJOHGIEABA-VFZGTOFNSA-N 0 2 344.314 2.538 20 5 EFBDLN C[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@](C)(C(F)F)O1 ZINC000596051982 479109028 /nfs/dbraw/zinc/10/90/28/479109028.db2.gz WCYXLJOHGIEABA-VFZGTOFNSA-N 0 2 344.314 2.538 20 5 EFBDLN Cc1cc(N2CCC[C@H]2CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573805922 479148808 /nfs/dbraw/zinc/14/88/08/479148808.db2.gz UDKGWIUBNSCCRS-AWEZNQCLSA-N 0 2 342.355 2.804 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000574204485 479240866 /nfs/dbraw/zinc/24/08/66/479240866.db2.gz IMPYDNXOBTVUAR-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN COc1cccc2c1OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611534927 479408479 /nfs/dbraw/zinc/40/84/79/479408479.db2.gz HHQDXZADUUGYCN-ZDUSSCGKSA-N 0 2 344.323 2.563 20 5 EFBDLN CC1(C)N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N(c2ccccc2)C1=O ZINC000602754010 479530217 /nfs/dbraw/zinc/53/02/17/479530217.db2.gz AFCIRWJTSJBWQA-OAHLLOKOSA-N 0 2 327.340 2.714 20 5 EFBDLN CC1(C)N[C@H](c2ccc([N+](=O)[O-])c(O)c2)N(c2ccccc2)C1=O ZINC000602758515 479532279 /nfs/dbraw/zinc/53/22/79/479532279.db2.gz QTBXXELXVBOZNZ-HNNXBMFYSA-N 0 2 327.340 2.714 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc(F)c2)c(F)cc1[N+](=O)[O-] ZINC000590597456 479666107 /nfs/dbraw/zinc/66/61/07/479666107.db2.gz BLYNDUGUULVFEO-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000612427392 479669860 /nfs/dbraw/zinc/66/98/60/479669860.db2.gz WLZXVPKWZOLXDZ-UHFFFAOYSA-N 0 2 329.312 2.535 20 5 EFBDLN CC(C)(C)OC(=O)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000614014691 480165683 /nfs/dbraw/zinc/16/56/83/480165683.db2.gz SDDGZGWPOUYJJR-UHFFFAOYSA-N 0 2 338.360 2.542 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000610657425 480356330 /nfs/dbraw/zinc/35/63/30/480356330.db2.gz SDGYWGHGIJXUMY-UHFFFAOYSA-N 0 2 325.371 2.513 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2ccsc2)O1 ZINC000188199342 533877030 /nfs/dbraw/zinc/87/70/30/533877030.db2.gz SDQNEYPJQWGJCV-BONVTDFDSA-N 0 2 348.380 2.964 20 5 EFBDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000560966235 517417231 /nfs/dbraw/zinc/41/72/31/517417231.db2.gz NGNBYOAASQWAOT-UHFFFAOYSA-N 0 2 338.389 2.638 20 5 EFBDLN CCOc1ncc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000089531166 521609609 /nfs/dbraw/zinc/60/96/09/521609609.db2.gz JOIFPZOWLDWAPK-UHFFFAOYSA-N 0 2 337.719 3.000 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000119666314 522982002 /nfs/dbraw/zinc/98/20/02/522982002.db2.gz WBVAABXTXLESPG-UHFFFAOYSA-N 0 2 348.380 2.893 20 5 EFBDLN COc1ccc(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000089912347 524133706 /nfs/dbraw/zinc/13/37/06/524133706.db2.gz SFPVOGWNYPTMJC-GFCCVEGCSA-N 0 2 344.367 2.918 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccc(F)cc1 ZINC000075164185 524465399 /nfs/dbraw/zinc/46/53/99/524465399.db2.gz VOQABAPYGVIEKL-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1F ZINC000006315593 525471135 /nfs/dbraw/zinc/47/11/35/525471135.db2.gz NBJGNVJJSUXCTI-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000079034077 526095252 /nfs/dbraw/zinc/09/52/52/526095252.db2.gz ZNJKOBPONIDMOA-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN Cc1cnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)s1 ZINC000075455851 526131273 /nfs/dbraw/zinc/13/12/73/526131273.db2.gz YKLBIXONVITTME-ZDUSSCGKSA-N 0 2 333.369 2.946 20 5 EFBDLN CC(=O)Nc1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000188923490 526955511 /nfs/dbraw/zinc/95/55/11/526955511.db2.gz ZMHRGGOVFQKNRQ-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1C(F)(F)F ZINC000092547580 527132116 /nfs/dbraw/zinc/13/21/16/527132116.db2.gz QFSKDSIBMQFYGA-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000088463864 527486680 /nfs/dbraw/zinc/48/66/80/527486680.db2.gz CLWPFLXRKPUIDR-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(C2CC2)no1 ZINC000181971234 528571077 /nfs/dbraw/zinc/57/10/77/528571077.db2.gz UOXOYOGBSUWXRV-CYBMUJFWSA-N 0 2 346.343 2.688 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2scnc2C2CC2)cs1 ZINC000768889949 577314373 /nfs/dbraw/zinc/31/43/73/577314373.db2.gz QEIHVPYSDUZVMW-UHFFFAOYSA-N 0 2 331.400 2.791 20 5 EFBDLN Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnn1CC(C)C ZINC000768889048 577314413 /nfs/dbraw/zinc/31/44/13/577314413.db2.gz NGOPIUTVRMMANW-UHFFFAOYSA-N 0 2 344.418 2.618 20 5 EFBDLN COc1ccc(CSCC(=O)NOC2CCCC2)cc1[N+](=O)[O-] ZINC000774875757 581502945 /nfs/dbraw/zinc/50/29/45/581502945.db2.gz ROGGRHGWLGPAKD-UHFFFAOYSA-N 0 2 340.401 2.827 20 5 EFBDLN NC(=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(C(=O)[O-])c1 ZINC000833077983 600807719 /nfs/dbraw/zinc/80/77/19/600807719.db2.gz IEHOESOZVGKRPU-UHFFFAOYSA-N 0 2 349.730 2.993 20 5 EFBDLN Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891767 602316903 /nfs/dbraw/zinc/31/69/03/602316903.db2.gz YXMSKCFNSXBXGY-GFCCVEGCSA-N 0 2 330.344 2.639 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cccc3ocnc32)cc1[N+](=O)[O-] ZINC000790005864 1277164604 /nfs/dbraw/zinc/16/46/04/1277164604.db2.gz YELPMPCQUYSUQR-UHFFFAOYSA-N 0 2 333.325 2.845 20 5 EFBDLN Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1[N+](=O)[O-] ZINC000790044599 1277178983 /nfs/dbraw/zinc/17/89/83/1277178983.db2.gz DFHXVFZFZOZEDR-UHFFFAOYSA-N 0 2 345.739 2.770 20 5 EFBDLN COc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000794152223 1280073692 /nfs/dbraw/zinc/07/36/92/1280073692.db2.gz PTVPQOJPWLTVFF-LSDHHAIUSA-N 0 2 328.324 2.595 20 5 EFBDLN COC[C@H](C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(Cl)ccc1C ZINC000876302172 1290889727 /nfs/dbraw/zinc/88/97/27/1290889727.db2.gz XULXXYCRPZPGDK-ZKYQVNSYSA-N 0 2 326.780 2.682 20 5 EFBDLN CC(C)OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386201 1310059125 /nfs/dbraw/zinc/05/91/25/1310059125.db2.gz CZZDCKPPPMEQGI-UHFFFAOYSA-N 0 2 325.708 2.705 20 5 EFBDLN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Oc1cccc(O)c1[N+](=O)[O-] ZINC001225621755 1311555095 /nfs/dbraw/zinc/55/50/95/1311555095.db2.gz CTOUGACNMHWWLZ-MFKMUULPSA-N 0 2 338.360 2.935 20 5 EFBDLN CCCC(=O)[C@H](CCC)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625229 1311832876 /nfs/dbraw/zinc/83/28/76/1311832876.db2.gz SYVYHZGZGSVJMQ-VIFPVBQESA-N 0 2 329.378 2.729 20 5 EFBDLN O=[N+]([O-])C[C@@H](Oc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC001228682212 1311981237 /nfs/dbraw/zinc/98/12/37/1311981237.db2.gz SOZDMORTDXUFCN-SNVBAGLBSA-N 0 2 326.150 2.760 20 5 EFBDLN CC[C@H](COc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21)OC ZINC001228685338 1311981711 /nfs/dbraw/zinc/98/17/11/1311981711.db2.gz FGLAYNKKGOQEOM-LLVKDONJSA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCOC[C@@H]4C)c3nc2cc1C ZINC001228685450 1311981933 /nfs/dbraw/zinc/98/19/33/1311981933.db2.gz HHEKAULFKGVDPW-FZMZJTMJSA-N 0 2 340.383 2.699 20 5 EFBDLN CCOC(=O)[C@@H]1CCCC[C@H]1Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228971197 1312029733 /nfs/dbraw/zinc/02/97/33/1312029733.db2.gz LPAZRUMRARYSDA-ZYHUDNBSSA-N 0 2 325.317 2.507 20 5 EFBDLN C[C@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228973530 1312030327 /nfs/dbraw/zinc/03/03/27/1312030327.db2.gz KRRVPAKWMZLMHQ-DGCLKSJQSA-N 0 2 345.355 2.615 20 5 EFBDLN C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228973530 1312030331 /nfs/dbraw/zinc/03/03/31/1312030331.db2.gz KRRVPAKWMZLMHQ-DGCLKSJQSA-N 0 2 345.355 2.615 20 5 EFBDLN O=[N+]([O-])C[C@@H](Oc1cc2[nH]ncc2c(F)c1)c1ccc2c(c1)OCO2 ZINC001230934443 1312396509 /nfs/dbraw/zinc/39/65/09/1312396509.db2.gz LRUBIWKPNLABQY-MRXNPFEDSA-N 0 2 345.286 2.828 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nc(Br)cs1 ZINC000119542961 1314650326 /nfs/dbraw/zinc/65/03/26/1314650326.db2.gz JSRTYKACKUPBDD-UHFFFAOYSA-N 0 2 344.146 2.772 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cs1 ZINC000119965925 1314743528 /nfs/dbraw/zinc/74/35/28/1314743528.db2.gz PQSRJMGSWIMJOD-UHFFFAOYSA-N 0 2 345.427 2.792 20 5 EFBDLN COc1nccc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)c1F ZINC001216858777 1315016320 /nfs/dbraw/zinc/01/63/20/1315016320.db2.gz HQNNXGFRLGFQMU-UHFFFAOYSA-N 0 2 346.274 2.869 20 5 EFBDLN COc1ncccc1-c1noc(-c2ccc(C)c(O)c2[N+](=O)[O-])n1 ZINC001216856801 1315016629 /nfs/dbraw/zinc/01/66/29/1315016629.db2.gz OUFOJUQMEMIZJJ-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc(O)c(F)c2F)n1 ZINC001216932096 1315023947 /nfs/dbraw/zinc/02/39/47/1315023947.db2.gz LBNGECWPEQICPN-UHFFFAOYSA-N 0 2 338.201 2.830 20 5 EFBDLN CC[C@H]1[C@@H](C)CCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001262902547 1316501365 /nfs/dbraw/zinc/50/13/65/1316501365.db2.gz IGDWZIKJICAUEM-JQWIXIFHSA-N 0 2 331.376 2.721 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCSC[C@@H]1C ZINC001339653538 1331921406 /nfs/dbraw/zinc/92/14/06/1331921406.db2.gz RFGZLTLZGCLECP-JTQLQIEISA-N 0 2 349.416 2.521 20 5 EFBDLN COc1ccc(C)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120092026 712912899 /nfs/dbraw/zinc/91/28/99/712912899.db2.gz KVGWBTIASOMBDF-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1 ZINC000120091252 712912914 /nfs/dbraw/zinc/91/29/14/712912914.db2.gz PZEHKPMRUNRQNG-UHFFFAOYSA-N 0 2 347.305 2.504 20 5 EFBDLN CC(=O)c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120100637 712919325 /nfs/dbraw/zinc/91/93/25/712919325.db2.gz JUXJAXPDTXNFCL-UHFFFAOYSA-N 0 2 326.355 2.660 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120158521 712965394 /nfs/dbraw/zinc/96/53/94/712965394.db2.gz OWEDCFQVJBEATH-UHFFFAOYSA-N 0 2 332.334 2.605 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cs1 ZINC000120263853 713040104 /nfs/dbraw/zinc/04/01/04/713040104.db2.gz HEZDMJNQYGHNRR-UHFFFAOYSA-N 0 2 338.288 2.874 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OCCF)c2)cs1 ZINC000120288172 713051132 /nfs/dbraw/zinc/05/11/32/713051132.db2.gz HBSHSDIOHFUKSJ-UHFFFAOYSA-N 0 2 346.361 2.805 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)n1 ZINC000162271831 718367105 /nfs/dbraw/zinc/36/71/05/718367105.db2.gz WXKNRKZHVZJTIM-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2cc(Cl)cc(Br)c21 ZINC000841222822 722897146 /nfs/dbraw/zinc/89/71/46/722897146.db2.gz MLKSRIFMMXMNSQ-PSASIEDQSA-N 0 2 345.580 2.657 20 5 EFBDLN C[C@H](C(=O)[O-])[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001602821639 971629197 /nfs/dbraw/zinc/62/91/97/971629197.db2.gz LCWYTRXCFNXKHR-SNVBAGLBSA-N 0 2 331.328 2.687 20 5 EFBDLN C[C@H](C(=O)[O-])[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001602821639 971629200 /nfs/dbraw/zinc/62/92/00/971629200.db2.gz LCWYTRXCFNXKHR-SNVBAGLBSA-N 0 2 331.328 2.687 20 5 EFBDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594220511 959368995 /nfs/dbraw/zinc/36/89/95/959368995.db2.gz UBMMZSLTSKPXHJ-QMTHXVAHSA-N 0 2 331.328 2.687 20 5 EFBDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001594220511 959369012 /nfs/dbraw/zinc/36/90/12/959369012.db2.gz UBMMZSLTSKPXHJ-QMTHXVAHSA-N 0 2 331.328 2.687 20 5 EFBDLN O=C([O-])/C=C/c1ccc(NCCCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000844208484 979358692 /nfs/dbraw/zinc/35/86/92/979358692.db2.gz VMYMVJSMXFPZTK-GQCTYLIASA-N 0 2 330.344 2.781 20 5 EFBDLN C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000903908707 981033005 /nfs/dbraw/zinc/03/30/05/981033005.db2.gz ADVOMNUJYDMZAT-DTORHVGOSA-N 0 2 343.177 2.652 20 5 EFBDLN C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000903908707 981033008 /nfs/dbraw/zinc/03/30/08/981033008.db2.gz ADVOMNUJYDMZAT-DTORHVGOSA-N 0 2 343.177 2.652 20 5 EFBDLN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166688 998634630 /nfs/dbraw/zinc/63/46/30/998634630.db2.gz AFOSMMYFGJAANN-SVRRBLITSA-N 0 2 349.206 2.714 20 5 EFBDLN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166688 998634633 /nfs/dbraw/zinc/63/46/33/998634633.db2.gz AFOSMMYFGJAANN-SVRRBLITSA-N 0 2 349.206 2.714 20 5 EFBDLN C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166689 998634661 /nfs/dbraw/zinc/63/46/61/998634661.db2.gz AFOSMMYFGJAANN-XPUUQOCRSA-N 0 2 349.206 2.714 20 5 EFBDLN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166689 998634665 /nfs/dbraw/zinc/63/46/65/998634665.db2.gz AFOSMMYFGJAANN-XPUUQOCRSA-N 0 2 349.206 2.714 20 5 EFBDLN O=C([O-])[C@@H]1CC12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC001601774768 1095901362 /nfs/dbraw/zinc/90/13/62/1095901362.db2.gz MNJRDKMQHZDXJJ-NSHDSACASA-N 0 2 326.299 2.560 20 5 EFBDLN O=C([O-])COc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001602096231 1096060416 /nfs/dbraw/zinc/06/04/16/1096060416.db2.gz PPJYOKQRQSCDBJ-UHFFFAOYSA-N 0 2 342.351 2.617 20 5 EFBDLN O=C([O-])COc1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001602096231 1096060428 /nfs/dbraw/zinc/06/04/28/1096060428.db2.gz PPJYOKQRQSCDBJ-UHFFFAOYSA-N 0 2 342.351 2.617 20 5 EFBDLN O=C([O-])c1ccc2c(c1)OCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001602428512 1096239913 /nfs/dbraw/zinc/23/99/13/1096239913.db2.gz SONKHOWJIRYLFT-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1ccc2c(c1)OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001602428512 1096239920 /nfs/dbraw/zinc/23/99/20/1096239920.db2.gz SONKHOWJIRYLFT-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001606162764 1097333183 /nfs/dbraw/zinc/33/31/83/1097333183.db2.gz HFQJHRVOCLLKSZ-UHFFFAOYSA-N 0 2 348.330 2.829 20 5 EFBDLN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC001606162764 1097333191 /nfs/dbraw/zinc/33/31/91/1097333191.db2.gz HFQJHRVOCLLKSZ-UHFFFAOYSA-N 0 2 348.330 2.829 20 5 EFBDLN COc1cccc([C@H](C(=O)[O-])[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001607312451 1097595909 /nfs/dbraw/zinc/59/59/09/1097595909.db2.gz PULZAXKAPSFBFE-MRXNPFEDSA-N 0 2 328.324 2.745 20 5 EFBDLN COc1cccc([C@H](C(=O)[O-])[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001607312451 1097595913 /nfs/dbraw/zinc/59/59/13/1097595913.db2.gz PULZAXKAPSFBFE-MRXNPFEDSA-N 0 2 328.324 2.745 20 5 EFBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Oc2cccc(-n3cc[nH+]c3)c2)n1 ZINC001607587321 1097667084 /nfs/dbraw/zinc/66/70/84/1097667084.db2.gz JCFSFVPAEQZMFG-UHFFFAOYSA-N 0 2 340.295 2.974 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001608655797 1097979563 /nfs/dbraw/zinc/97/95/63/1097979563.db2.gz LZZJVNCSBXJVMM-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001608655797 1097979571 /nfs/dbraw/zinc/97/95/71/1097979571.db2.gz LZZJVNCSBXJVMM-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000840326534 1101006089 /nfs/dbraw/zinc/00/60/89/1101006089.db2.gz JGFVCLZWKOQZOE-HUUCEWRRSA-N 0 2 340.335 2.614 20 5 EFBDLN O=C(N[C@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156138467 303962066 /nfs/dbraw/zinc/96/20/66/303962066.db2.gz ZKNKEPXGSVGGGM-ZDUSSCGKSA-N 0 2 328.324 2.944 20 5 EFBDLN CCc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000176397151 529548109 /nfs/dbraw/zinc/54/81/09/529548109.db2.gz QSRJWRAYVXWIBU-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)cc(C)n1 ZINC000162362832 529731031 /nfs/dbraw/zinc/73/10/31/529731031.db2.gz OVFRMBMPWLAZPF-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1O ZINC000189608853 303979592 /nfs/dbraw/zinc/97/95/92/303979592.db2.gz PBWFUHUIXVMSIS-ZDUSSCGKSA-N 0 2 332.287 2.693 20 5 EFBDLN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000162746904 239096580 /nfs/dbraw/zinc/09/65/80/239096580.db2.gz YHTDEVPYVZYELN-NOZJJQNGSA-N 0 2 336.369 2.604 20 5 EFBDLN Cc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000174382734 239228910 /nfs/dbraw/zinc/22/89/10/239228910.db2.gz CLSGYOLBCGVXBT-LBPRGKRZSA-N 0 2 330.340 2.806 20 5 EFBDLN COc1cccc(Cl)c1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191870856 240012576 /nfs/dbraw/zinc/01/25/76/240012576.db2.gz PQWPLNUXBXJENE-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN CN(CCCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194745971 240173654 /nfs/dbraw/zinc/17/36/54/240173654.db2.gz GQUWAIUVDIQWTF-UHFFFAOYSA-N 0 2 330.340 2.842 20 5 EFBDLN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000071890308 203139309 /nfs/dbraw/zinc/13/93/09/203139309.db2.gz YPQSYGQODRYKEY-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1csc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)n1 ZINC000075316871 203311828 /nfs/dbraw/zinc/31/18/28/203311828.db2.gz JORQPJSDHPUBGQ-ZDUSSCGKSA-N 0 2 333.369 2.946 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc2ccccc2n1 ZINC000075106764 203301667 /nfs/dbraw/zinc/30/16/67/203301667.db2.gz OASHOSJJTABZDY-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540936 203580780 /nfs/dbraw/zinc/58/07/80/203580780.db2.gz RKQCUUMMSPMABU-LLVKDONJSA-N 0 2 349.387 2.714 20 5 EFBDLN CCS(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000129995423 205219729 /nfs/dbraw/zinc/21/97/29/205219729.db2.gz BKWMJBXWHJFXMZ-UHFFFAOYSA-N 0 2 327.387 2.788 20 5 EFBDLN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000156118318 206055525 /nfs/dbraw/zinc/05/55/25/206055525.db2.gz GRIQNRCJBNONMJ-CQSZACIVSA-N 0 2 342.351 2.939 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000006553345 206399436 /nfs/dbraw/zinc/39/94/36/206399436.db2.gz CDQWZQQIWRQVAM-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN COc1ccc(CNC(=O)c2cc(F)c(O)c(F)c2)cc1[N+](=O)[O-] ZINC000436532536 249533435 /nfs/dbraw/zinc/53/34/35/249533435.db2.gz RWEMIGPWQDBPLL-UHFFFAOYSA-N 0 2 338.266 2.517 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 ZINC000442321703 250077708 /nfs/dbraw/zinc/07/77/08/250077708.db2.gz KUBAISWFCUGVPH-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=C(NCCc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000443006174 250150031 /nfs/dbraw/zinc/15/00/31/250150031.db2.gz YBVZGBMNUKDMPR-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000345006962 142111142 /nfs/dbraw/zinc/11/11/42/142111142.db2.gz CZZDFBAPGNXKMC-LSDHHAIUSA-N 0 2 342.351 2.985 20 5 EFBDLN CCc1csc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000346410000 142201034 /nfs/dbraw/zinc/20/10/34/142201034.db2.gz LLZBOVLHDRMKQO-UHFFFAOYSA-N 0 2 341.414 2.598 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cc(CO)ccc2C)cc1[N+](=O)[O-] ZINC000342373852 145111535 /nfs/dbraw/zinc/11/15/35/145111535.db2.gz KVWHTSKWGDTTDK-UHFFFAOYSA-N 0 2 342.398 2.566 20 5 EFBDLN O=c1[nH]nc(CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000342826113 145202953 /nfs/dbraw/zinc/20/29/53/145202953.db2.gz SUCMXPHISAZCLS-UHFFFAOYSA-N 0 2 332.147 2.770 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)nc1 ZINC000351611981 146157904 /nfs/dbraw/zinc/15/79/04/146157904.db2.gz TWEZKBMTDCUMJM-UHFFFAOYSA-N 0 2 349.368 2.610 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OC(F)F)cc2)[nH]1 ZINC000352014005 146265490 /nfs/dbraw/zinc/26/54/90/146265490.db2.gz NNLGBELJYCWEPZ-ZZXKWVIFSA-N 0 2 325.227 2.568 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCC(F)F)cc2)[nH]1 ZINC000352020823 146266785 /nfs/dbraw/zinc/26/67/85/146266785.db2.gz LDHUEBUNSLUTJJ-ZZXKWVIFSA-N 0 2 339.254 2.610 20 5 EFBDLN CC(C)(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000352870909 146336333 /nfs/dbraw/zinc/33/63/33/146336333.db2.gz QAJHABSOIFDWPI-UHFFFAOYSA-N 0 2 339.373 2.822 20 5 EFBDLN Cc1cccc(F)c1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000355886054 147090940 /nfs/dbraw/zinc/09/09/40/147090940.db2.gz WWOFSZYTOMRVLG-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COC(=O)c1ccccc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356323547 147212288 /nfs/dbraw/zinc/21/22/88/147212288.db2.gz QWGYFGIDYHSDAG-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)ccc1-n1cccn1 ZINC000356583735 147283852 /nfs/dbraw/zinc/28/38/52/147283852.db2.gz UBCJIFVQZXPPHY-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000359423233 148082159 /nfs/dbraw/zinc/08/21/59/148082159.db2.gz LTEBQEVSYUAUOO-UHFFFAOYSA-N 0 2 348.167 2.519 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc2c(cn1)CCCC2 ZINC000359468376 148093550 /nfs/dbraw/zinc/09/35/50/148093550.db2.gz OGBANDDRBFTKQP-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cc1[N+](=O)[O-] ZINC000359468251 148093579 /nfs/dbraw/zinc/09/35/79/148093579.db2.gz CYWULGKWWBRQQE-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN Cc1cc(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[nH]nc1C ZINC000359494696 148101098 /nfs/dbraw/zinc/10/10/98/148101098.db2.gz QETJYPWHSFWDFT-UHFFFAOYSA-N 0 2 328.353 2.891 20 5 EFBDLN Cc1cccnc1C(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000359689486 148164137 /nfs/dbraw/zinc/16/41/37/148164137.db2.gz DPSOQXQXDRCVMV-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000186432465 304505057 /nfs/dbraw/zinc/50/50/57/304505057.db2.gz BBUOIVCGNKDORT-SFHVURJKSA-N 0 2 340.335 2.572 20 5 EFBDLN CCOCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000184642258 265022965 /nfs/dbraw/zinc/02/29/65/265022965.db2.gz AARRJYLWFMLDDF-UHFFFAOYSA-N 0 2 330.340 2.767 20 5 EFBDLN CN(CCOc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184612549 265023542 /nfs/dbraw/zinc/02/35/42/265023542.db2.gz JTGNNOFQXKIPFT-UHFFFAOYSA-N 0 2 334.303 2.591 20 5 EFBDLN O=C(NCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000185238276 265038267 /nfs/dbraw/zinc/03/82/67/265038267.db2.gz BISUVJMDXSVOBC-UHFFFAOYSA-N 0 2 329.337 2.840 20 5 EFBDLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000187717058 265114842 /nfs/dbraw/zinc/11/48/42/265114842.db2.gz LRNDDWBMHNSAFU-SNVBAGLBSA-N 0 2 336.373 2.563 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000191903110 265280872 /nfs/dbraw/zinc/28/08/72/265280872.db2.gz RIJOIPKNTLNEIM-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1 ZINC000191907692 265283108 /nfs/dbraw/zinc/28/31/08/265283108.db2.gz WDHZOKOMSPJEJG-UHFFFAOYSA-N 0 2 349.368 2.610 20 5 EFBDLN CC(C)c1cc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])no1 ZINC000271966393 266109179 /nfs/dbraw/zinc/10/91/79/266109179.db2.gz SRRXMGWTSVUIAT-UHFFFAOYSA-N 0 2 339.373 2.691 20 5 EFBDLN CC(=O)c1ccc(O)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000272656130 266341944 /nfs/dbraw/zinc/34/19/44/266341944.db2.gz GVBZHQIIZGFVCG-UHFFFAOYSA-N 0 2 332.316 2.602 20 5 EFBDLN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000276811003 267053082 /nfs/dbraw/zinc/05/30/82/267053082.db2.gz ZSTNXOPDJXWFDX-CYBMUJFWSA-N 0 2 334.372 2.912 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276934611 267080569 /nfs/dbraw/zinc/08/05/69/267080569.db2.gz RJBNWSKDVFAUSN-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN Cc1ccc(NCCCNC(=O)[C@@H](F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000277311038 267152360 /nfs/dbraw/zinc/15/23/60/267152360.db2.gz BOSRDDYWAQOPDF-LLVKDONJSA-N 0 2 337.273 2.722 20 5 EFBDLN Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000277311038 267152364 /nfs/dbraw/zinc/15/23/64/267152364.db2.gz BOSRDDYWAQOPDF-LLVKDONJSA-N 0 2 337.273 2.722 20 5 EFBDLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000187747925 273052429 /nfs/dbraw/zinc/05/24/29/273052429.db2.gz WXQZLKYLDAAGIX-SNVBAGLBSA-N 0 2 336.373 2.563 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(NCC2CC2)nc1 ZINC000279154513 273182752 /nfs/dbraw/zinc/18/27/52/273182752.db2.gz BEWZCAGTUGYQME-UHFFFAOYSA-N 0 2 328.328 2.770 20 5 EFBDLN O=C(Nc1nc(C2CCOCC2)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286391784 274191400 /nfs/dbraw/zinc/19/14/00/274191400.db2.gz NSCGQTOIQDLKII-UHFFFAOYSA-N 0 2 349.368 2.903 20 5 EFBDLN CCc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000080940922 292809351 /nfs/dbraw/zinc/80/93/51/292809351.db2.gz PJLBHLWBUAXEGB-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN CC(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000089531216 292833623 /nfs/dbraw/zinc/83/36/23/292833623.db2.gz CEXBOHXQNMGWDY-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)cc1 ZINC000090167165 292851911 /nfs/dbraw/zinc/85/19/11/292851911.db2.gz GEYLNCFOPDNYFJ-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)=O)cn1 ZINC000131684245 293205337 /nfs/dbraw/zinc/20/53/37/293205337.db2.gz NZBZOOQBOBMCBV-UHFFFAOYSA-N 0 2 349.368 2.556 20 5 EFBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2nn[nH]c2c1 ZINC000153210764 293365968 /nfs/dbraw/zinc/36/59/68/293365968.db2.gz GXMIURGBXKQTEB-UHFFFAOYSA-N 0 2 331.719 2.701 20 5 EFBDLN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894005 294486739 /nfs/dbraw/zinc/48/67/39/294486739.db2.gz QASACQKTRJVXOY-HWPZZCPQSA-N 0 2 348.330 2.946 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1cccnc1 ZINC000294000323 295096232 /nfs/dbraw/zinc/09/62/32/295096232.db2.gz YSFJVEZUWPJZBI-OAHLLOKOSA-N 0 2 327.340 2.919 20 5 EFBDLN O=C(NC[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000185715151 303809376 /nfs/dbraw/zinc/80/93/76/303809376.db2.gz DCNPEOKQUWCCSJ-LLVKDONJSA-N 0 2 328.324 2.597 20 5 EFBDLN CC(C)(O)COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436968717 312603911 /nfs/dbraw/zinc/60/39/11/312603911.db2.gz WMJAIGYYWLDXRK-UHFFFAOYSA-N 0 2 346.339 2.702 20 5 EFBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436970381 312604358 /nfs/dbraw/zinc/60/43/58/312604358.db2.gz DGDDVKKRWVEJQI-ZDUSSCGKSA-N 0 2 341.367 2.699 20 5 EFBDLN COc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000436970859 312604557 /nfs/dbraw/zinc/60/45/57/312604557.db2.gz GEBUVSYMQOGZSW-UHFFFAOYSA-N 0 2 328.324 2.728 20 5 EFBDLN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OC ZINC000436973638 312605137 /nfs/dbraw/zinc/60/51/37/312605137.db2.gz UFYZUMJFZCRMBW-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c(F)ccc(F)c2C1 ZINC000436989865 312607492 /nfs/dbraw/zinc/60/74/92/312607492.db2.gz NBAOEUGGBZKHSI-UHFFFAOYSA-N 0 2 334.278 2.777 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)ccc1[N+](=O)[O-] ZINC000438774395 312623651 /nfs/dbraw/zinc/62/36/51/312623651.db2.gz NZNHIVFQEYTJLO-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCC3CC3)cc2)[nH]1 ZINC000453029970 312848503 /nfs/dbraw/zinc/84/85/03/312848503.db2.gz SRBPRYWNXUINCI-VMPITWQZSA-N 0 2 329.312 2.755 20 5 EFBDLN Cc1cc(=NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)[nH]nc1C ZINC000491842787 313787969 /nfs/dbraw/zinc/78/79/69/313787969.db2.gz HACRULMJGSHFFK-GQCTYLIASA-N 0 2 332.747 2.729 20 5 EFBDLN O=C(Nc1ccc(N2CCOC2=O)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000494399788 314583184 /nfs/dbraw/zinc/58/31/84/314583184.db2.gz PCDQCFSUWXAJTR-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN COC(=O)Nc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000495302529 314699501 /nfs/dbraw/zinc/69/95/01/314699501.db2.gz RIUOGVSOELVKQF-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000069588427 441983026 /nfs/dbraw/zinc/98/30/26/441983026.db2.gz DQXOTCNUPJXDBJ-UHFFFAOYSA-N 0 2 331.350 2.554 20 5 EFBDLN CCOC(=O)c1[nH]c(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000537769354 317681735 /nfs/dbraw/zinc/68/17/35/317681735.db2.gz YENRCIIJQAXFAW-UHFFFAOYSA-N 0 2 347.327 2.674 20 5 EFBDLN CC(C)n1ncc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cnc21 ZINC000547853777 318048999 /nfs/dbraw/zinc/04/89/99/318048999.db2.gz QOBDZGSWXOYFRI-UHFFFAOYSA-N 0 2 341.327 2.878 20 5 EFBDLN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1c[nH]nc1[N+](=O)[O-] ZINC000548944288 318158477 /nfs/dbraw/zinc/15/84/77/318158477.db2.gz OPROPLYHYGYFDO-UHFFFAOYSA-N 0 2 349.310 2.509 20 5 EFBDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000552669763 318260674 /nfs/dbraw/zinc/26/06/74/318260674.db2.gz KVHIRFJZHWGPLU-UHFFFAOYSA-N 0 2 338.389 2.638 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000562495335 318654952 /nfs/dbraw/zinc/65/49/52/318654952.db2.gz LLOPHYRZZAXLAM-AWEZNQCLSA-N 0 2 344.323 2.720 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000566914839 319121699 /nfs/dbraw/zinc/12/16/99/319121699.db2.gz AGXVJFUEDWAVQE-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN Cc1cn2c([nH+]1)[C@@H](CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])CCC2 ZINC000568767646 319316938 /nfs/dbraw/zinc/31/69/38/319316938.db2.gz USPWWAOPRKAXMD-CYBMUJFWSA-N 0 2 344.371 2.716 20 5 EFBDLN C[C@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000184928568 323378280 /nfs/dbraw/zinc/37/82/80/323378280.db2.gz LMDZUWMWIWCGFE-QMMMGPOBSA-N 0 2 329.291 2.747 20 5 EFBDLN Cc1cc(N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633328 324844847 /nfs/dbraw/zinc/84/48/47/324844847.db2.gz ADDPXGMKFDHYQP-XHDPSFHLSA-N 0 2 344.371 2.885 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000069585850 463281487 /nfs/dbraw/zinc/28/14/87/463281487.db2.gz BDKAOOHDYWEUQU-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=C(Nc1ccc(-c2ncon2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000184908134 473271058 /nfs/dbraw/zinc/27/10/58/473271058.db2.gz IUTSQQHEIXNODM-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(C(C)C)n1 ZINC000358879542 476007155 /nfs/dbraw/zinc/00/71/55/476007155.db2.gz OXNZAYNBXBWARD-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2c(s1)CCC2 ZINC000457924409 477258564 /nfs/dbraw/zinc/25/85/64/477258564.db2.gz ONIMGVOTYRHFPJ-MRVPVSSYSA-N 0 2 333.369 2.737 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000008104846 471662847 /nfs/dbraw/zinc/66/28/47/471662847.db2.gz MSZZBIYZQZDBQL-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000009888706 471723038 /nfs/dbraw/zinc/72/30/38/471723038.db2.gz SSJXTUYYKBKUKI-UHFFFAOYSA-N 0 2 330.340 2.726 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000014256220 471867119 /nfs/dbraw/zinc/86/71/19/471867119.db2.gz CSPLZPFSUXEJPM-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN O=C(NCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000024589338 472061135 /nfs/dbraw/zinc/06/11/35/472061135.db2.gz QVANKQFUOZMOFS-UHFFFAOYSA-N 0 2 329.337 2.840 20 5 EFBDLN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1NC(C)=O ZINC000026622520 472143413 /nfs/dbraw/zinc/14/34/13/472143413.db2.gz LHYTYBOBNNROCO-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1C ZINC000055564357 472204191 /nfs/dbraw/zinc/20/41/91/472204191.db2.gz PLYDBHXGJVXYOU-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029773118 472296119 /nfs/dbraw/zinc/29/61/19/472296119.db2.gz IHXVCZHXAWOWJU-UHFFFAOYSA-N 0 2 345.336 2.597 20 5 EFBDLN CCOc1ccccc1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000069486701 472353550 /nfs/dbraw/zinc/35/35/50/472353550.db2.gz PKWCPOJLMHYFMX-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116459752 472410807 /nfs/dbraw/zinc/41/08/07/472410807.db2.gz RSUURAOHATVPNA-BXKDBHETSA-N 0 2 334.278 2.865 20 5 EFBDLN Cc1nn(C)c2sc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC000089531658 472456700 /nfs/dbraw/zinc/45/67/00/472456700.db2.gz RPNYTUWQDACLAW-UHFFFAOYSA-N 0 2 332.341 2.809 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCC2)nc1 ZINC000089531846 472457206 /nfs/dbraw/zinc/45/72/06/472457206.db2.gz DUKFTYJQUAJDJD-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN CC(C)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCCCC1=O ZINC000089540773 472457497 /nfs/dbraw/zinc/45/74/97/472457497.db2.gz KZKFGYQDDDJGKL-AWEZNQCLSA-N 0 2 349.387 2.666 20 5 EFBDLN O=C(/C=C/C1CCCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000118148493 472488912 /nfs/dbraw/zinc/48/89/12/472488912.db2.gz FFHITTJIYWKZMO-VOTSOKGWSA-N 0 2 344.414 2.598 20 5 EFBDLN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000119016828 472520223 /nfs/dbraw/zinc/52/02/23/472520223.db2.gz HKZYFYJLSVGIGZ-UHFFFAOYSA-N 0 2 340.257 2.990 20 5 EFBDLN O=C(NCC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155744153 472607784 /nfs/dbraw/zinc/60/77/84/472607784.db2.gz TXTJOULRWYYMHX-UHFFFAOYSA-N 0 2 330.315 2.901 20 5 EFBDLN CCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000132290052 472726031 /nfs/dbraw/zinc/72/60/31/472726031.db2.gz VMUVUWGUWZGJGD-UHFFFAOYSA-N 0 2 343.339 2.611 20 5 EFBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000105589393 472761455 /nfs/dbraw/zinc/76/14/55/472761455.db2.gz VMMRIFVWTXPZGL-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN O=C(Nc1ccnn1Cc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073029161 472761761 /nfs/dbraw/zinc/76/17/61/472761761.db2.gz XBJVGAHCVJWHNC-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000105781587 472774172 /nfs/dbraw/zinc/77/41/72/472774172.db2.gz GCGPAVDFCZIGDA-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN O=C(Nc1ccccc1N1CCCC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000157464855 472824074 /nfs/dbraw/zinc/82/40/74/472824074.db2.gz ZEYATNTYMKBRML-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN CC(C)Oc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000121818026 472922652 /nfs/dbraw/zinc/92/26/52/472922652.db2.gz SWDLCJKRCVUKGL-UHFFFAOYSA-N 0 2 337.357 2.578 20 5 EFBDLN CCCN(CCC)C(=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546194 472931847 /nfs/dbraw/zinc/93/18/47/472931847.db2.gz PUWSEUAGFXIASR-UHFFFAOYSA-N 0 2 337.376 2.668 20 5 EFBDLN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1CC(C)C ZINC000092545977 472931997 /nfs/dbraw/zinc/93/19/97/472931997.db2.gz SYXKUCMJRDWDLT-UHFFFAOYSA-N 0 2 332.360 2.968 20 5 EFBDLN CC[S@](=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546040 472932236 /nfs/dbraw/zinc/93/22/36/472932236.db2.gz YMQVWQHXWVNCSK-HSZRJFAPSA-N 0 2 334.353 2.680 20 5 EFBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NC(=O)C1CCCCC1 ZINC000092547358 472933170 /nfs/dbraw/zinc/93/31/70/472933170.db2.gz AEOBGFYOLFIUJD-NSHDSACASA-N 0 2 349.387 2.714 20 5 EFBDLN Cc1nc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)n[nH]1 ZINC000092546974 472933413 /nfs/dbraw/zinc/93/34/13/472933413.db2.gz WLRNJRGXSVGEIF-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccncc2)on1 ZINC000092546800 472933817 /nfs/dbraw/zinc/93/38/17/472933817.db2.gz CJOWUZZXLBLJOU-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN CC(C)(C)c1noc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000092546863 472934005 /nfs/dbraw/zinc/93/40/05/472934005.db2.gz KVCUFBDMWIMMIQ-UHFFFAOYSA-N 0 2 348.359 2.942 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000134762907 472963625 /nfs/dbraw/zinc/96/36/25/472963625.db2.gz AEKSQIKDJRRJLG-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CCN(Cc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000074478746 473013945 /nfs/dbraw/zinc/01/39/45/473013945.db2.gz KQTIWLSSUWMUJK-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066249989 473065301 /nfs/dbraw/zinc/06/53/01/473065301.db2.gz UUVIRTPOWCNTCL-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1C ZINC000066585299 473118938 /nfs/dbraw/zinc/11/89/38/473118938.db2.gz WMTYRPYGFRLKEF-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000052798228 473147945 /nfs/dbraw/zinc/14/79/45/473147945.db2.gz VGLATRGYIMHMNG-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000093929321 473162680 /nfs/dbraw/zinc/16/26/80/473162680.db2.gz GDNLLDRUFPEQAB-UHFFFAOYSA-N 0 2 340.332 2.684 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(F)c1C ZINC000093929334 473163247 /nfs/dbraw/zinc/16/32/47/473163247.db2.gz YYJDYTCVHUQKJB-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000093930547 473164209 /nfs/dbraw/zinc/16/42/09/473164209.db2.gz CBFWIKNWVGZJII-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000093930471 473164416 /nfs/dbraw/zinc/16/44/16/473164416.db2.gz AGIVGPPSOHAYIP-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1nnc(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)o1 ZINC000164776826 473498465 /nfs/dbraw/zinc/49/84/65/473498465.db2.gz IWAKHZUGLQBFLX-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000178419591 473509524 /nfs/dbraw/zinc/50/95/24/473509524.db2.gz IVYLZQUMNNJZCK-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000172192901 473545958 /nfs/dbraw/zinc/54/59/58/473545958.db2.gz RAZQVMWJFLMJRI-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000153621102 473633357 /nfs/dbraw/zinc/63/33/57/473633357.db2.gz ZAWNOOPCCQGHLQ-UHFFFAOYSA-N 0 2 346.752 2.555 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2n1C ZINC000179508299 473691400 /nfs/dbraw/zinc/69/14/00/473691400.db2.gz DSWOZKODRDBRLH-JTQLQIEISA-N 0 2 340.339 2.678 20 5 EFBDLN O=C(NC1(c2nccs2)CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000179503204 473691455 /nfs/dbraw/zinc/69/14/55/473691455.db2.gz ZFSADARHXJLFGB-UHFFFAOYSA-N 0 2 333.369 2.956 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(F)c(O)c(F)c1 ZINC000186667006 473719654 /nfs/dbraw/zinc/71/96/54/473719654.db2.gz GNINORRRKCOCMY-UHFFFAOYSA-N 0 2 338.266 2.517 20 5 EFBDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C(=O)N(C)C ZINC000186979032 473794516 /nfs/dbraw/zinc/79/45/16/473794516.db2.gz BAHMTDGBTSEMKO-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000187066532 473811687 /nfs/dbraw/zinc/81/16/87/473811687.db2.gz KECOQQNDQXJTNA-CQSZACIVSA-N 0 2 346.314 2.733 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000194142467 473848502 /nfs/dbraw/zinc/84/85/02/473848502.db2.gz VCBDWEKFIKKTJP-UHFFFAOYSA-N 0 2 334.353 2.639 20 5 EFBDLN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000274716556 473931404 /nfs/dbraw/zinc/93/14/04/473931404.db2.gz BDUYRKRHPGQRQZ-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN COc1ccccc1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274765574 473948784 /nfs/dbraw/zinc/94/87/84/473948784.db2.gz YLYZLAFXVFRCBN-LBPRGKRZSA-N 0 2 342.351 2.939 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1[N+](=O)[O-] ZINC000180755807 473957935 /nfs/dbraw/zinc/95/79/35/473957935.db2.gz WKPCTAFVGMPBHC-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000174019790 473974086 /nfs/dbraw/zinc/97/40/86/473974086.db2.gz ICJHZJZKKWAXPA-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2ccsc2)O1 ZINC000188199266 474017638 /nfs/dbraw/zinc/01/76/38/474017638.db2.gz SDQNEYPJQWGJCV-MEBBXXQBSA-N 0 2 348.380 2.964 20 5 EFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](c2ccsc2)O1 ZINC000182107111 474101145 /nfs/dbraw/zinc/10/11/45/474101145.db2.gz ARNKDNOZAFPRCG-BMIGLBTASA-N 0 2 348.380 2.964 20 5 EFBDLN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182117979 474104000 /nfs/dbraw/zinc/10/40/00/474104000.db2.gz VMXSSYPLPUWMPT-SNVBAGLBSA-N 0 2 346.314 2.831 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000182144652 474108162 /nfs/dbraw/zinc/10/81/62/474108162.db2.gz SGZIUIUVUUAVLN-CQSZACIVSA-N 0 2 346.339 2.715 20 5 EFBDLN CC(C)(O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182185435 474117591 /nfs/dbraw/zinc/11/75/91/474117591.db2.gz HFSAZRVYAOORKB-UHFFFAOYSA-N 0 2 344.367 2.714 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000175018724 474131997 /nfs/dbraw/zinc/13/19/97/474131997.db2.gz USEBSQPSJXUZBP-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN O=[N+]([O-])c1sccc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000613700485 480082657 /nfs/dbraw/zinc/08/26/57/480082657.db2.gz NUOAVEVQQZETEV-UHFFFAOYSA-N 0 2 331.357 2.966 20 5 EFBDLN O=C(N[C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189025866 474269168 /nfs/dbraw/zinc/26/91/68/474269168.db2.gz VFDRTKALCOGHSL-LBPRGKRZSA-N 0 2 332.287 2.693 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cccc3cnccc32)ccc1[N+](=O)[O-] ZINC000183890659 474442440 /nfs/dbraw/zinc/44/24/40/474442440.db2.gz MTOKKINFHOVXKQ-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)cc1O ZINC000189937895 474511484 /nfs/dbraw/zinc/51/14/84/474511484.db2.gz YOZPNUKXGFDNEL-UHFFFAOYSA-N 0 2 325.280 2.952 20 5 EFBDLN COc1ccc([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000184600684 474560584 /nfs/dbraw/zinc/56/05/84/474560584.db2.gz MIPUFUZEDROQSG-ZDUSSCGKSA-N 0 2 342.351 2.939 20 5 EFBDLN Cc1csc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)n1 ZINC000184817017 474613807 /nfs/dbraw/zinc/61/38/07/474613807.db2.gz OLTAJAXMIAHEQP-CYBMUJFWSA-N 0 2 333.369 2.946 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)ccc1Cl ZINC000268502672 475017731 /nfs/dbraw/zinc/01/77/31/475017731.db2.gz SSVDRDFILKJXRV-UHFFFAOYSA-N 0 2 342.764 2.650 20 5 EFBDLN CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000354677970 475334180 /nfs/dbraw/zinc/33/41/80/475334180.db2.gz WDCNEXLIDUHSCO-ZETCQYMHSA-N 0 2 344.286 2.743 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000337879174 475400529 /nfs/dbraw/zinc/40/05/29/475400529.db2.gz WUWZXYGZLJQIEY-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1occ2c1CCC2 ZINC000353076416 475686881 /nfs/dbraw/zinc/68/68/81/475686881.db2.gz KGBJALDVMLNTAW-UHFFFAOYSA-N 0 2 339.311 2.714 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3c2CCO3)cc1C ZINC000358499331 475727725 /nfs/dbraw/zinc/72/77/25/475727725.db2.gz WTXNNXHRWJJXEM-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cncc(F)c1 ZINC000358520196 475742307 /nfs/dbraw/zinc/74/23/07/475742307.db2.gz ZQBFPIJGCJJXFS-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN COCCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000355397228 475901443 /nfs/dbraw/zinc/90/14/43/475901443.db2.gz IDGBDNNDMKLMEW-UHFFFAOYSA-N 0 2 336.369 2.651 20 5 EFBDLN CC(=O)Nc1ccc(F)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000349434929 475970625 /nfs/dbraw/zinc/97/06/25/475970625.db2.gz VDUUTSUGPJVNCW-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN COc1ccc(=NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]n1 ZINC000340701969 476218831 /nfs/dbraw/zinc/21/88/31/476218831.db2.gz GCCNJDFMIRVRDE-UHFFFAOYSA-N 0 2 326.312 2.687 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000357336141 476336506 /nfs/dbraw/zinc/33/65/06/476336506.db2.gz SQHFKUJKMUDENJ-UHFFFAOYSA-N 0 2 349.324 2.551 20 5 EFBDLN CSc1cccc(C(=O)N=c2ccc(C3CC3)n[nH]2)c1[N+](=O)[O-] ZINC000362770281 476400084 /nfs/dbraw/zinc/40/00/84/476400084.db2.gz RAIXYKARXAUVLH-UHFFFAOYSA-N 0 2 330.369 2.658 20 5 EFBDLN Cc1nn(C)c2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc12 ZINC000360821333 476408978 /nfs/dbraw/zinc/40/89/78/476408978.db2.gz ZLKLVLRLMDFFPJ-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC=C(c2ccncc2)C1 ZINC000354329077 476590401 /nfs/dbraw/zinc/59/04/01/476590401.db2.gz POMPHFPMDJCOKS-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2cc(F)ccc21 ZINC000369972843 476612137 /nfs/dbraw/zinc/61/21/37/476612137.db2.gz IECTYSRNZXJLTI-UHFFFAOYSA-N 0 2 345.330 2.926 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](CO)c1ccc(Cl)cc1 ZINC000354520725 476704966 /nfs/dbraw/zinc/70/49/66/476704966.db2.gz KDBXATUUSWQFEN-GFCCVEGCSA-N 0 2 336.731 2.668 20 5 EFBDLN Cc1ccc([C@@H](C)NC(=O)N=c2ccc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000448152933 477139053 /nfs/dbraw/zinc/13/90/53/477139053.db2.gz CICQPESHIHWQGT-LLVKDONJSA-N 0 2 341.371 2.875 20 5 EFBDLN O=C(Nc1nc2c(s1)CSCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376160980 477204440 /nfs/dbraw/zinc/20/44/40/477204440.db2.gz QSQVKSKMGSBFJZ-UHFFFAOYSA-N 0 2 337.382 2.799 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2c(s1)CCC2 ZINC000457908880 477253115 /nfs/dbraw/zinc/25/31/15/477253115.db2.gz DOUJHNMFRGYEEA-MRVPVSSYSA-N 0 2 333.369 2.737 20 5 EFBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457934183 477263327 /nfs/dbraw/zinc/26/33/27/477263327.db2.gz SWWWIQIBGMIRQQ-MRVPVSSYSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(NCc1c(F)cc(F)c(F)c1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000435918723 477393767 /nfs/dbraw/zinc/39/37/67/477393767.db2.gz SYQMUEZBVWYBNM-UHFFFAOYSA-N 0 2 344.220 2.787 20 5 EFBDLN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C(F)(F)F)n1 ZINC000436157181 477431065 /nfs/dbraw/zinc/43/10/65/477431065.db2.gz XZPISYDYSXIGCC-UHFFFAOYSA-N 0 2 344.249 2.788 20 5 EFBDLN O=C(NCC1(c2ccccn2)CCC1)c1cc([N+](=O)[O-])ccc1O ZINC000367338696 477462166 /nfs/dbraw/zinc/46/21/66/477462166.db2.gz DAAXXSWBHUEAHZ-UHFFFAOYSA-N 0 2 327.340 2.547 20 5 EFBDLN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000436530393 477506058 /nfs/dbraw/zinc/50/60/58/477506058.db2.gz BWLQVRVKOIIEKA-CYBMUJFWSA-N 0 2 334.372 2.912 20 5 EFBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000436635593 477538931 /nfs/dbraw/zinc/53/89/31/477538931.db2.gz MHEMSBDPMGTGOV-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436638676 477540815 /nfs/dbraw/zinc/54/08/15/477540815.db2.gz GPQRVILPMNSIOJ-GFCCVEGCSA-N 0 2 344.323 2.720 20 5 EFBDLN Cc1nn(C)c2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc12 ZINC000436643859 477542810 /nfs/dbraw/zinc/54/28/10/477542810.db2.gz ZABBAEJQAWANSX-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN COc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670651 477552984 /nfs/dbraw/zinc/55/29/84/477552984.db2.gz RQFGNHVHMGNZBM-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(NCCc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1O ZINC000436675973 477555142 /nfs/dbraw/zinc/55/51/42/477555142.db2.gz ZCWNEGFWDGTSDZ-UHFFFAOYSA-N 0 2 343.364 2.883 20 5 EFBDLN O=C(Nc1cccc(OCC(F)F)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436815646 477599383 /nfs/dbraw/zinc/59/93/83/477599383.db2.gz PDUSQUBBVXAGCW-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN CCC(=O)c1ccc(O)c(NC(=O)c2c(N)cccc2[N+](=O)[O-])c1 ZINC000436833174 477606241 /nfs/dbraw/zinc/60/62/41/477606241.db2.gz JIVGLUVOUZTRCD-UHFFFAOYSA-N 0 2 329.312 2.728 20 5 EFBDLN O=C(NCc1cc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])cc1O ZINC000436860586 477616680 /nfs/dbraw/zinc/61/66/80/477616680.db2.gz PPWCWXVGSZSEHG-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436860599 477616837 /nfs/dbraw/zinc/61/68/37/477616837.db2.gz PVSNFXDXYAQFDR-UHFFFAOYSA-N 0 2 344.323 2.691 20 5 EFBDLN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436860550 477617273 /nfs/dbraw/zinc/61/72/73/477617273.db2.gz HGTLWMWZNTVHCA-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874323 477621860 /nfs/dbraw/zinc/62/18/60/477621860.db2.gz SUJBEVDWPSQBRQ-ABAIWWIYSA-N 0 2 336.388 2.872 20 5 EFBDLN O=C(NCCCNc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436900939 477628983 /nfs/dbraw/zinc/62/89/83/477628983.db2.gz FOEYZASJNDZBIG-UHFFFAOYSA-N 0 2 333.319 2.672 20 5 EFBDLN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436945454 477644672 /nfs/dbraw/zinc/64/46/72/477644672.db2.gz GJGGJGGDUIYHCQ-UHFFFAOYSA-N 0 2 338.222 2.874 20 5 EFBDLN CCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436952507 477645384 /nfs/dbraw/zinc/64/53/84/477645384.db2.gz JFHFTVNATOINQM-UHFFFAOYSA-N 0 2 346.339 2.638 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(C)c1C ZINC000436955815 477647275 /nfs/dbraw/zinc/64/72/75/477647275.db2.gz IRNUYNPUQUDWNF-UHFFFAOYSA-N 0 2 344.323 2.956 20 5 EFBDLN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436959744 477648371 /nfs/dbraw/zinc/64/83/71/477648371.db2.gz NZYMGFUGLMWNTH-GOEBONIOSA-N 0 2 342.351 2.985 20 5 EFBDLN COCCOc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436962414 477649029 /nfs/dbraw/zinc/64/90/29/477649029.db2.gz XAHXHHYIXCLFMY-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436959604 477649163 /nfs/dbraw/zinc/64/91/63/477649163.db2.gz NAQSHNSPZFBSNP-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000436971425 477653129 /nfs/dbraw/zinc/65/31/29/477653129.db2.gz OYMRSUWNCZROMP-UHFFFAOYSA-N 0 2 331.115 2.593 20 5 EFBDLN COc1cc(NC(C)=O)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436978664 477656329 /nfs/dbraw/zinc/65/63/29/477656329.db2.gz WATBWPWOLZRJFE-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436995409 477659668 /nfs/dbraw/zinc/65/96/68/477659668.db2.gz HVTOEVIHVRGKEA-UHFFFAOYSA-N 0 2 348.262 2.509 20 5 EFBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436999023 477660325 /nfs/dbraw/zinc/66/03/25/477660325.db2.gz IINZGVABIORDAC-CYBMUJFWSA-N 0 2 341.367 2.699 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000438260824 477814219 /nfs/dbraw/zinc/81/42/19/477814219.db2.gz WSJHWKYPWYEALH-UHFFFAOYSA-N 0 2 344.780 2.643 20 5 EFBDLN O=C(Nc1cccc(Cl)c1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000533964879 478120828 /nfs/dbraw/zinc/12/08/28/478120828.db2.gz GQIHFBRFMSSDBF-UHFFFAOYSA-N 0 2 336.687 2.935 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000597605043 478429110 /nfs/dbraw/zinc/42/91/10/478429110.db2.gz TUNAHNQCQPJSTR-IMJJTQAJSA-N 0 2 348.399 2.846 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2nccc(C3CC3)n2)c(C)cc1[N+](=O)[O-] ZINC000600668518 478459691 /nfs/dbraw/zinc/45/96/91/478459691.db2.gz YMOODJWAJFTNIF-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)cn1 ZINC000600809602 478529648 /nfs/dbraw/zinc/52/96/48/478529648.db2.gz ADHQSJLMJIRQJJ-MRXNPFEDSA-N 0 2 343.339 2.585 20 5 EFBDLN COc1c(C)c[nH+]c(CN(C)c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c1C ZINC000563624780 478605117 /nfs/dbraw/zinc/60/51/17/478605117.db2.gz NZHCQANPNXAVSI-UHFFFAOYSA-N 0 2 345.355 2.950 20 5 EFBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000542003619 478622695 /nfs/dbraw/zinc/62/26/95/478622695.db2.gz ZMOYZYNFNYVGLX-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598305859 478756736 /nfs/dbraw/zinc/75/67/36/478756736.db2.gz DMMHNBMFGWAUHS-BLLLJJGKSA-N 0 2 334.372 2.722 20 5 EFBDLN CN(c1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598378785 478795228 /nfs/dbraw/zinc/79/52/28/478795228.db2.gz KQYWVKAYIFXYCV-OAHLLOKOSA-N 0 2 341.367 2.651 20 5 EFBDLN Cc1cc(N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633326 478902549 /nfs/dbraw/zinc/90/25/49/478902549.db2.gz ADDPXGMKFDHYQP-IAQYHMDHSA-N 0 2 344.371 2.885 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c[nH]nc2C2CC2)c1 ZINC000565234777 478959138 /nfs/dbraw/zinc/95/91/38/478959138.db2.gz YMKCQYVUNRKPEP-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000598715646 478988068 /nfs/dbraw/zinc/98/80/68/478988068.db2.gz ZKTXIAYTOGAXBO-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000601939458 479083901 /nfs/dbraw/zinc/08/39/01/479083901.db2.gz KTPNDNOUENVEES-UHFFFAOYSA-N 0 2 347.762 2.740 20 5 EFBDLN Cc1cc(N2C[C@@H](C)[C@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000595973177 479086672 /nfs/dbraw/zinc/08/66/72/479086672.db2.gz GSGGEAQLLXOLEU-QMTHXVAHSA-N 0 2 342.355 2.517 20 5 EFBDLN Cc1cn2c([nH+]1)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000592976704 479114061 /nfs/dbraw/zinc/11/40/61/479114061.db2.gz JFYBMRNHDBCTLE-GFCCVEGCSA-N 0 2 330.344 2.787 20 5 EFBDLN Cc1cc(N2CC[C@@H](C(=O)[O-])[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592982582 479116131 /nfs/dbraw/zinc/11/61/31/479116131.db2.gz JAGOYPPKWYLHCT-BXUZGUMPSA-N 0 2 342.355 2.660 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCC[N@@H+]1C1CC1 ZINC000574348690 479269578 /nfs/dbraw/zinc/26/95/78/479269578.db2.gz XXUDGYWBHWNODG-LLVKDONJSA-N 0 2 325.752 2.519 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCC[N@H+]1C1CC1 ZINC000574348690 479269584 /nfs/dbraw/zinc/26/95/84/479269584.db2.gz XXUDGYWBHWNODG-LLVKDONJSA-N 0 2 325.752 2.519 20 5 EFBDLN CN1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000611294668 479340912 /nfs/dbraw/zinc/34/09/12/479340912.db2.gz JETCSXJYFNHWJJ-ZDUSSCGKSA-N 0 2 327.340 2.863 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000593553784 479385981 /nfs/dbraw/zinc/38/59/81/479385981.db2.gz PMLKZZYYAJKUDS-VHSXEESVSA-N 0 2 348.277 2.987 20 5 EFBDLN COc1cccc2c1OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611534926 479408004 /nfs/dbraw/zinc/40/80/04/479408004.db2.gz HHQDXZADUUGYCN-CYBMUJFWSA-N 0 2 344.323 2.563 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000593737246 479439151 /nfs/dbraw/zinc/43/91/51/479439151.db2.gz GTEIIPSXWSHTEX-UHFFFAOYSA-N 0 2 330.262 2.987 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000593737246 479439158 /nfs/dbraw/zinc/43/91/58/479439158.db2.gz GTEIIPSXWSHTEX-UHFFFAOYSA-N 0 2 330.262 2.987 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2O)c(F)cc1[N+](=O)[O-] ZINC000590598243 479666012 /nfs/dbraw/zinc/66/60/12/479666012.db2.gz VIXCFQIKHYGMQJ-UHFFFAOYSA-N 0 2 344.295 2.688 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590598151 479666052 /nfs/dbraw/zinc/66/60/52/479666052.db2.gz PFJNZSCMOVTUKC-UHFFFAOYSA-N 0 2 343.336 2.702 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000619578225 479833271 /nfs/dbraw/zinc/83/32/71/479833271.db2.gz HMUCKRGEAAVDPY-FVQBIDKESA-N 0 2 348.399 2.846 20 5 EFBDLN COc1ccc(C2(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000609480650 480164817 /nfs/dbraw/zinc/16/48/17/480164817.db2.gz JLXVQCYZLVGSSL-UHFFFAOYSA-N 0 2 328.324 2.728 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000610657441 480356491 /nfs/dbraw/zinc/35/64/91/480356491.db2.gz VWSNFSCWGOCJMG-UHFFFAOYSA-N 0 2 343.361 2.652 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000610657351 480356674 /nfs/dbraw/zinc/35/66/74/480356674.db2.gz DJEGZONKOBFFBU-UHFFFAOYSA-N 0 2 325.371 2.513 20 5 EFBDLN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000075940063 519712930 /nfs/dbraw/zinc/71/29/30/519712930.db2.gz OQWGIMGXSZHTOZ-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN CCOc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119051325 521626123 /nfs/dbraw/zinc/62/61/23/521626123.db2.gz AUSQEZOKPIYVRN-UHFFFAOYSA-N 0 2 343.386 2.559 20 5 EFBDLN COc1csc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000177405818 524957258 /nfs/dbraw/zinc/95/72/58/524957258.db2.gz IFBFTEBQYOEPPZ-UHFFFAOYSA-N 0 2 345.340 2.702 20 5 EFBDLN C[C@]1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000150876997 525330175 /nfs/dbraw/zinc/33/01/75/525330175.db2.gz NKUMOSFYRFRPBT-GOSISDBHSA-N 0 2 342.351 2.688 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc1C ZINC000079034088 525399980 /nfs/dbraw/zinc/39/99/80/525399980.db2.gz XZWUMUJEYRLNDV-UHFFFAOYSA-N 0 2 347.805 2.544 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2[nH]cnc21 ZINC000177674952 525556059 /nfs/dbraw/zinc/55/60/59/525556059.db2.gz ALDYLQNJWFYTOZ-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000135789403 525573189 /nfs/dbraw/zinc/57/31/89/525573189.db2.gz NSIYXBKCRAGLHP-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000174024978 534883054 /nfs/dbraw/zinc/88/30/54/534883054.db2.gz ANYWFNHKMAUCHB-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN C[C@@]1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000150877025 525901971 /nfs/dbraw/zinc/90/19/71/525901971.db2.gz NKUMOSFYRFRPBT-SFHVURJKSA-N 0 2 342.351 2.688 20 5 EFBDLN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180775387 526097374 /nfs/dbraw/zinc/09/73/74/526097374.db2.gz KHSARTXNTJNMEP-APPDUMDISA-N 0 2 330.340 2.794 20 5 EFBDLN CSc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccn12 ZINC000089531711 526209483 /nfs/dbraw/zinc/20/94/83/526209483.db2.gz YNVVGHJSQPLTIA-UHFFFAOYSA-N 0 2 344.352 2.922 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000194744840 526629683 /nfs/dbraw/zinc/62/96/83/526629683.db2.gz SXRGTUZFRDXLJX-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000160022583 526960439 /nfs/dbraw/zinc/96/04/39/526960439.db2.gz SJSANWDZBWCYIJ-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN CC(=O)Nc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000159263974 526960713 /nfs/dbraw/zinc/96/07/13/526960713.db2.gz VEZGIZWKKDHERE-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(Cc2ccccc2)c1 ZINC000089531088 527131429 /nfs/dbraw/zinc/13/14/29/527131429.db2.gz RKUNDBREZRBGLU-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1 ZINC000121830556 527376935 /nfs/dbraw/zinc/37/69/35/527376935.db2.gz YTSURIGPXOZCLL-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000195451092 527405371 /nfs/dbraw/zinc/40/53/71/527405371.db2.gz AAUBVFNRXOCGDB-UHFFFAOYSA-N 0 2 334.353 2.721 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000178189367 527405819 /nfs/dbraw/zinc/40/58/19/527405819.db2.gz RCJJFUZRNVCEST-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)cc1C ZINC000351773971 536559185 /nfs/dbraw/zinc/55/91/85/536559185.db2.gz LDPLTZWLAQEQGT-UHFFFAOYSA-N 0 2 344.323 2.956 20 5 EFBDLN C[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000758034183 575858662 /nfs/dbraw/zinc/85/86/62/575858662.db2.gz ICSAYNMGACYIQD-QMMMGPOBSA-N 0 2 348.277 2.656 20 5 EFBDLN CCc1ccc(OC(=O)C(C)(C)NC(=O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000759519584 575894094 /nfs/dbraw/zinc/89/40/94/575894094.db2.gz MNUSRPTWTOFNJA-UHFFFAOYSA-N 0 2 348.277 2.520 20 5 EFBDLN COc1ccc(COC(=O)c2cc(F)c(O)c(F)c2)cc1[N+](=O)[O-] ZINC000759540129 575897128 /nfs/dbraw/zinc/89/71/28/575897128.db2.gz ONLMWWZMECFJCX-UHFFFAOYSA-N 0 2 339.250 2.944 20 5 EFBDLN O=C(OCCOc1cccc([N+](=O)[O-])c1)c1cc(F)c(O)c(F)c1 ZINC000759547095 575898755 /nfs/dbraw/zinc/89/87/55/575898755.db2.gz WOYHBZLAAOFLDR-UHFFFAOYSA-N 0 2 339.250 2.814 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1O ZINC000760361365 576012180 /nfs/dbraw/zinc/01/21/80/576012180.db2.gz DQAHGHFEGVNYBE-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN O=C([O-])[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000739505530 577244713 /nfs/dbraw/zinc/24/47/13/577244713.db2.gz RBXKCVRKPXXBNX-LBPRGKRZSA-N 0 2 328.296 2.850 20 5 EFBDLN O=C(NN1CCCC1=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000770542304 581108094 /nfs/dbraw/zinc/10/80/94/581108094.db2.gz HXTXGURDEMNZDE-UHFFFAOYSA-N 0 2 341.323 2.654 20 5 EFBDLN CNc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-] ZINC000770855974 581142314 /nfs/dbraw/zinc/14/23/14/581142314.db2.gz IYUJPJOUKASVHI-UHFFFAOYSA-N 0 2 332.272 2.503 20 5 EFBDLN C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C ZINC000770861032 581142506 /nfs/dbraw/zinc/14/25/06/581142506.db2.gz GCOFVRWNMFLGQB-VIFPVBQESA-N 0 2 339.348 2.542 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000770860558 581142632 /nfs/dbraw/zinc/14/26/32/581142632.db2.gz FXUQEMXWMVNCNN-UHFFFAOYSA-N 0 2 342.267 2.942 20 5 EFBDLN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000773605045 581449847 /nfs/dbraw/zinc/44/98/47/581449847.db2.gz TUWQEBKRXYHRNQ-UHFFFAOYSA-N 0 2 343.295 2.720 20 5 EFBDLN O=C([O-])[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cc(F)ccc1F ZINC000833170345 601353976 /nfs/dbraw/zinc/35/39/76/601353976.db2.gz SOVPKLGJXFWFGY-CQSZACIVSA-N 0 2 340.257 2.928 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833221363 604788867 /nfs/dbraw/zinc/78/88/67/604788867.db2.gz JTYIZBCDVHIYFO-JTQLQIEISA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833221363 604788871 /nfs/dbraw/zinc/78/88/71/604788871.db2.gz JTYIZBCDVHIYFO-JTQLQIEISA-N 0 2 330.793 2.640 20 5 EFBDLN O=C(c1cccc(Cl)c1O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787507602 1275789579 /nfs/dbraw/zinc/78/95/79/1275789579.db2.gz JBTQATNMKQIJHP-UHFFFAOYSA-N 0 2 348.742 2.857 20 5 EFBDLN C[C@H](CC(=O)O[C@@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-])n1cc[nH+]c1 ZINC000845882335 1279904394 /nfs/dbraw/zinc/90/43/94/1279904394.db2.gz SRRJKLISPKCXFS-XHBSWPGZSA-N 0 2 335.335 2.923 20 5 EFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1(C(F)F)CCCC1 ZINC000808346611 1281663599 /nfs/dbraw/zinc/66/35/99/1281663599.db2.gz IDTLKNOYWJSJHO-UHFFFAOYSA-N 0 2 338.307 2.590 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(N)ccc1[N+](=O)[O-] ZINC000811718431 1284556871 /nfs/dbraw/zinc/55/68/71/1284556871.db2.gz QRLYDEFNJGXFDZ-UHFFFAOYSA-N 0 2 331.357 2.524 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccnc1Cl ZINC000775607517 1293707683 /nfs/dbraw/zinc/70/76/83/1293707683.db2.gz JRDARANLGCSKNF-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN COc1ccc(CNC(=O)c2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000775665878 1293977131 /nfs/dbraw/zinc/97/71/31/1293977131.db2.gz MMOGMWXRAFXHBI-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000863471813 1302627192 /nfs/dbraw/zinc/62/71/92/1302627192.db2.gz IGEIYSPZOFZUDB-CHWSQXEVSA-N 0 2 335.360 2.662 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000118974059 1314560159 /nfs/dbraw/zinc/56/01/59/1314560159.db2.gz GTVNJIOVJYFDBD-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN O=C([O-])[C@@]1(F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901516189 1310594957 /nfs/dbraw/zinc/59/49/57/1310594957.db2.gz ROHTVCQSUCNNGJ-GFCCVEGCSA-N 0 2 336.241 2.612 20 5 EFBDLN O=C([O-])[C@@]1(F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901516189 1310594963 /nfs/dbraw/zinc/59/49/63/1310594963.db2.gz ROHTVCQSUCNNGJ-GFCCVEGCSA-N 0 2 336.241 2.612 20 5 EFBDLN Cc1nc(OC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c(=O)[nH]1 ZINC001226418473 1311664578 /nfs/dbraw/zinc/66/45/78/1311664578.db2.gz AAHNUQDEYYLNSN-UHFFFAOYSA-N 0 2 348.334 2.586 20 5 EFBDLN CSc1nc(O[C@@H](C)c2cnc3ccccn32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624740 1311832709 /nfs/dbraw/zinc/83/27/09/1311832709.db2.gz DABCBUQGITXEJT-QMMMGPOBSA-N 0 2 347.356 2.600 20 5 EFBDLN CSc1nc(O[C@H]2CCc3ccccc3C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624856 1311832740 /nfs/dbraw/zinc/83/27/40/1311832740.db2.gz HHJSXEYSLLMFAI-NSHDSACASA-N 0 2 333.369 2.749 20 5 EFBDLN CSc1nc(O[C@@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627928 1311833604 /nfs/dbraw/zinc/83/36/04/1311833604.db2.gz KFKQXYAFPOTAQK-NSHDSACASA-N 0 2 335.341 2.521 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCn5ccnc54)c3nc2cc1C ZINC001228685870 1311981687 /nfs/dbraw/zinc/98/16/87/1311981687.db2.gz JHSGANWRKORGDE-CYBMUJFWSA-N 0 2 348.366 2.616 20 5 EFBDLN CO[C@@H](C)CCOc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228686690 1311981698 /nfs/dbraw/zinc/98/16/98/1311981698.db2.gz OSYOOIQIVPDVBF-NSHDSACASA-N 0 2 328.372 2.699 20 5 EFBDLN CCOC[C@@H](C)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685761 1311981850 /nfs/dbraw/zinc/98/18/50/1311981850.db2.gz IOHMFQULDYFTLY-LLVKDONJSA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCOC[C@H]4C)c3nc2cc1C ZINC001228685451 1311982154 /nfs/dbraw/zinc/98/21/54/1311982154.db2.gz HHEKAULFKGVDPW-RISCZKNCSA-N 0 2 340.383 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCO[C@H](C)C4)c3nc2cc1C ZINC001228687572 1311982395 /nfs/dbraw/zinc/98/23/95/1311982395.db2.gz XTLHYKVFEBALHZ-VXGBXAGGSA-N 0 2 340.383 2.842 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC[C@@H]4CCO[C@@H]4C)c3nc2cc1C ZINC001228687688 1311982598 /nfs/dbraw/zinc/98/25/98/1311982598.db2.gz YQLSXFSIKKUDTD-NEPJUHHUSA-N 0 2 340.383 2.699 20 5 EFBDLN CC1(C)CC(Oc2cc(O)cc(O)c2[N+](=O)[O-])CC(C)(C)N1O ZINC001228971318 1312029569 /nfs/dbraw/zinc/02/95/69/1312029569.db2.gz NRTDTDIKFYUCGO-UHFFFAOYSA-N 0 2 326.349 2.796 20 5 EFBDLN CN(C)c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120005848 1314755701 /nfs/dbraw/zinc/75/57/01/1314755701.db2.gz IUYCIRDMBOJQCA-UHFFFAOYSA-N 0 2 327.387 2.523 20 5 EFBDLN Cn1cc2cccc(-c3noc(-c4cc(O)ccc4[N+](=O)[O-])n3)c2n1 ZINC001216678603 1314991928 /nfs/dbraw/zinc/99/19/28/1314991928.db2.gz NFYZNAZQCFRYLP-UHFFFAOYSA-N 0 2 337.295 2.904 20 5 EFBDLN COc1cc(-c2nc(-c3ccc(F)c(C)n3)no2)cc([N+](=O)[O-])c1O ZINC001216839244 1315013732 /nfs/dbraw/zinc/01/37/32/1315013732.db2.gz PNGTZMMFKDQQHF-UHFFFAOYSA-N 0 2 346.274 2.869 20 5 EFBDLN COc1cc(-c2nc(-c3cccc(C)n3)no2)cc([N+](=O)[O-])c1O ZINC001216836922 1315013752 /nfs/dbraw/zinc/01/37/52/1315013752.db2.gz BQYODIDOAGVJRK-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1cc(-c2nc(-c3ccncc3C)no2)cc([N+](=O)[O-])c1O ZINC001216837148 1315013796 /nfs/dbraw/zinc/01/37/96/1315013796.db2.gz NYVWTKNLZKLPKG-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN O=[N+]([O-])c1cccc(O)c1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC001216845632 1315014167 /nfs/dbraw/zinc/01/41/67/1315014167.db2.gz YTBDXEWFFKXDIV-UHFFFAOYSA-N 0 2 327.252 2.746 20 5 EFBDLN COc1ccc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)cn1 ZINC001216856615 1315016519 /nfs/dbraw/zinc/01/65/19/1315016519.db2.gz FPCKJINYJZGFCV-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1ccnc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)c1F ZINC001216859276 1315016768 /nfs/dbraw/zinc/01/67/68/1315016768.db2.gz SGZVCTVAKWARID-UHFFFAOYSA-N 0 2 346.274 2.869 20 5 EFBDLN CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC001348476709 1332841107 /nfs/dbraw/zinc/84/11/07/1332841107.db2.gz STCFDQDWYXSNDE-ZIAGYGMSSA-N 0 2 342.399 2.833 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC=C(C)C1 ZINC001356573540 1335055250 /nfs/dbraw/zinc/05/52/50/1335055250.db2.gz FLCZTEOYGJTPDU-UHFFFAOYSA-N 0 2 329.360 2.735 20 5 EFBDLN Cc1ccc([C@H](C)Nc2[nH+]ccc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284570 1429866708 /nfs/dbraw/zinc/86/67/08/1429866708.db2.gz YBYMIFICBUSEIF-NSHDSACASA-N 0 2 339.359 2.960 20 5 EFBDLN Cc1cc[nH+]c(N[C@H](C)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826311712 1441838028 /nfs/dbraw/zinc/83/80/28/1441838028.db2.gz LTIHMZNXOGWFMS-SNVBAGLBSA-N 0 2 325.332 2.651 20 5 EFBDLN C[N@H+](Cc1cccc(-c2nnn[n-]2)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000825986036 1450365711 /nfs/dbraw/zinc/36/57/11/1450365711.db2.gz LNFIYRKYQMRWLM-UHFFFAOYSA-N 0 2 342.334 2.546 20 5 EFBDLN C[N@@H+](Cc1cccc(-c2nnn[n-]2)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000825986036 1450365718 /nfs/dbraw/zinc/36/57/18/1450365718.db2.gz LNFIYRKYQMRWLM-UHFFFAOYSA-N 0 2 342.334 2.546 20 5 EFBDLN CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000897305727 724315238 /nfs/dbraw/zinc/31/52/38/724315238.db2.gz CHVDBESBKUVHIR-SNVBAGLBSA-N 0 2 327.768 2.765 20 5 EFBDLN CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000897305727 724315241 /nfs/dbraw/zinc/31/52/41/724315241.db2.gz CHVDBESBKUVHIR-SNVBAGLBSA-N 0 2 327.768 2.765 20 5 EFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)nc2)cc1[N+](=O)[O-] ZINC000152815164 726265631 /nfs/dbraw/zinc/26/56/31/726265631.db2.gz CORBFRHJMCDBFK-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000154050271 727696357 /nfs/dbraw/zinc/69/63/57/727696357.db2.gz JVIRNYABHBUCDE-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000180774540 729767519 /nfs/dbraw/zinc/76/75/19/729767519.db2.gz LBGLHCJWRYUNFZ-OAHLLOKOSA-N 0 2 345.286 2.571 20 5 EFBDLN CCC[N@H+](CC(=O)[O-])[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001589667664 949907217 /nfs/dbraw/zinc/90/72/17/949907217.db2.gz KCBVGXXUHYROJU-SNVBAGLBSA-N 0 2 334.332 2.502 20 5 EFBDLN CCC[N@@H+](CC(=O)[O-])[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001589667664 949907228 /nfs/dbraw/zinc/90/72/28/949907228.db2.gz KCBVGXXUHYROJU-SNVBAGLBSA-N 0 2 334.332 2.502 20 5 EFBDLN C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C(=O)[O-] ZINC001573727523 960421019 /nfs/dbraw/zinc/42/10/19/960421019.db2.gz VGFJXUVSNSHNFK-ABAIWWIYSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C(=O)[O-] ZINC001573727523 960421023 /nfs/dbraw/zinc/42/10/23/960421023.db2.gz VGFJXUVSNSHNFK-ABAIWWIYSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@@](Cc1ccc(F)cc1)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592854916 979657940 /nfs/dbraw/zinc/65/79/40/979657940.db2.gz XVGUWECDQLXHIH-KRWDZBQOSA-N 0 2 348.330 2.615 20 5 EFBDLN CC[C@@]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298974 980423129 /nfs/dbraw/zinc/42/31/29/980423129.db2.gz GAXRQNPZFCJTQJ-KRWDZBQOSA-N 0 2 330.340 2.780 20 5 EFBDLN CC(C)C[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001591120827 991792412 /nfs/dbraw/zinc/79/24/12/991792412.db2.gz PEBVUNRUAJDPBK-AWEZNQCLSA-N 0 2 346.343 2.715 20 5 EFBDLN C[C@@]([NH2+]Cc1cc2cccnc2o1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292079 994675022 /nfs/dbraw/zinc/67/50/22/994675022.db2.gz HJJRVJXNBWMVPO-KRWDZBQOSA-N 0 2 341.323 2.826 20 5 EFBDLN Cc1cc2c(c(F)c1)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N2 ZINC001579610383 1090642477 /nfs/dbraw/zinc/64/24/77/1090642477.db2.gz GVMJZOFYEOERST-CQSZACIVSA-N 0 2 331.303 2.723 20 5 EFBDLN Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600238964 1094910372 /nfs/dbraw/zinc/91/03/72/1094910372.db2.gz MMTBFOLQLJVJAA-UHFFFAOYSA-N 0 2 330.344 2.709 20 5 EFBDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001600685873 1095258182 /nfs/dbraw/zinc/25/81/82/1095258182.db2.gz HFYONXYZMPEFJV-UHFFFAOYSA-N 0 2 328.284 2.501 20 5 EFBDLN O=C([O-])[C@H]1CC12CC[NH+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC001601774767 1095901948 /nfs/dbraw/zinc/90/19/48/1095901948.db2.gz MNJRDKMQHZDXJJ-LLVKDONJSA-N 0 2 326.299 2.560 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001601875414 1095949554 /nfs/dbraw/zinc/94/95/54/1095949554.db2.gz SCJZQHDVSQBMRK-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001601875414 1095949561 /nfs/dbraw/zinc/94/95/61/1095949561.db2.gz SCJZQHDVSQBMRK-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC001602404410 1096223895 /nfs/dbraw/zinc/22/38/95/1096223895.db2.gz XTDOVFXDYBQCQR-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC001602404410 1096223899 /nfs/dbraw/zinc/22/38/99/1096223899.db2.gz XTDOVFXDYBQCQR-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC001608700340 1097994242 /nfs/dbraw/zinc/99/42/42/1097994242.db2.gz JIZCWSUMBOXIOW-CYBMUJFWSA-N 0 2 346.339 2.530 20 5 EFBDLN O=C([O-])C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC001608700340 1097994248 /nfs/dbraw/zinc/99/42/48/1097994248.db2.gz JIZCWSUMBOXIOW-CYBMUJFWSA-N 0 2 346.339 2.530 20 5 EFBDLN O=C([O-])C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC001608700342 1097994362 /nfs/dbraw/zinc/99/43/62/1097994362.db2.gz JIZCWSUMBOXIOW-ZDUSSCGKSA-N 0 2 346.339 2.530 20 5 EFBDLN O=C([O-])C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCO1 ZINC001608700342 1097994366 /nfs/dbraw/zinc/99/43/66/1097994366.db2.gz JIZCWSUMBOXIOW-ZDUSSCGKSA-N 0 2 346.339 2.530 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC001608914554 1098069354 /nfs/dbraw/zinc/06/93/54/1098069354.db2.gz XCYZPVXFYKHIBX-UHFFFAOYSA-N 0 2 328.324 2.557 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC001608914554 1098069357 /nfs/dbraw/zinc/06/93/57/1098069357.db2.gz XCYZPVXFYKHIBX-UHFFFAOYSA-N 0 2 328.324 2.557 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC001610841896 1098929420 /nfs/dbraw/zinc/92/94/20/1098929420.db2.gz JMHXWJSUBYSRFG-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC001610841896 1098929428 /nfs/dbraw/zinc/92/94/28/1098929428.db2.gz JMHXWJSUBYSRFG-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN Cc1cc2c(cc1Br)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC2 ZINC000840403381 1101060500 /nfs/dbraw/zinc/06/05/00/1101060500.db2.gz HGQCQGMVWCZKER-ZWNOBZJWSA-N 0 2 339.189 2.702 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cc(Br)ccc2F)no1 ZINC000842505183 1107145749 /nfs/dbraw/zinc/14/57/49/1107145749.db2.gz MGAIZIUDMRIRLJ-VXNVDRBHSA-N 0 2 328.097 2.771 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(OCc3cccnc3)cc2)no1 ZINC000904467885 1107959590 /nfs/dbraw/zinc/95/95/90/1107959590.db2.gz PIMONTGYYMIHDM-HUUCEWRRSA-N 0 2 338.323 2.843 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000055576854 214331744 /nfs/dbraw/zinc/33/17/44/214331744.db2.gz WTNMFFJGJHYSDX-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000158244627 303975620 /nfs/dbraw/zinc/97/56/20/303975620.db2.gz UATBFLZSHUBDFK-LBPRGKRZSA-N 0 2 334.372 2.912 20 5 EFBDLN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000035294200 304004631 /nfs/dbraw/zinc/00/46/31/304004631.db2.gz PJONCFMBJASGBK-UHFFFAOYSA-N 0 2 330.296 2.714 20 5 EFBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCc2ccccc2C1 ZINC000179499304 233105100 /nfs/dbraw/zinc/10/51/00/233105100.db2.gz CQWBZDMKGSRHJV-AWEZNQCLSA-N 0 2 326.352 2.930 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000130242967 223136378 /nfs/dbraw/zinc/13/63/78/223136378.db2.gz BMXBPOPPGCAKRD-CQSZACIVSA-N 0 2 346.339 2.715 20 5 EFBDLN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000159329560 239027587 /nfs/dbraw/zinc/02/75/87/239027587.db2.gz BYGJHNZLKNNHFV-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN Cc1cccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000174382751 239227862 /nfs/dbraw/zinc/22/78/62/239227862.db2.gz CLSGYOLBCGVXBT-GFCCVEGCSA-N 0 2 330.340 2.806 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccn2)ccc1[N+](=O)[O-] ZINC000176458805 239319537 /nfs/dbraw/zinc/31/95/37/239319537.db2.gz JMWQEJBUJODKJU-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2O)ccc1Cl ZINC000021503261 212227828 /nfs/dbraw/zinc/22/78/28/212227828.db2.gz QDIILJMJJNNDAS-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnoc2C2CC2)c1C ZINC000414381510 244121923 /nfs/dbraw/zinc/12/19/23/244121923.db2.gz IIMLLEIEUJGTDR-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnoc1C1CC1 ZINC000414386175 244126628 /nfs/dbraw/zinc/12/66/28/244126628.db2.gz GQVQLKIZNFOMLP-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN CC(C)Cn1cc[nH+]c1CN=c1[n-]c(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000433406378 248057503 /nfs/dbraw/zinc/05/75/03/248057503.db2.gz OJOWDVMSKUASOT-UHFFFAOYSA-N 0 2 342.359 2.531 20 5 EFBDLN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436947708 249636202 /nfs/dbraw/zinc/63/62/02/249636202.db2.gz RWAMPSZRXKZJOG-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN COC(=O)c1cc(C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436959780 249638925 /nfs/dbraw/zinc/63/89/25/249638925.db2.gz HXKWLWDFRPUQGK-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN O=C(CCc1nnc(C2CCCC2)o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547044 218149459 /nfs/dbraw/zinc/14/94/59/218149459.db2.gz HODYRGOLKVUHTL-UHFFFAOYSA-N 0 2 346.343 2.912 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Br)c[nH]1 ZINC000092547188 218149797 /nfs/dbraw/zinc/14/97/97/218149797.db2.gz DQKSRUJTHADSQV-UHFFFAOYSA-N 0 2 326.106 2.643 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2n[nH]cc21 ZINC000442327347 250078085 /nfs/dbraw/zinc/07/80/85/250078085.db2.gz RYKARGTXBWVNDE-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1ccc([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1 ZINC000181950915 533144250 /nfs/dbraw/zinc/14/42/50/533144250.db2.gz AQVPZVQSCJHEEY-CYBMUJFWSA-N 0 2 342.351 2.939 20 5 EFBDLN CCc1cc(NCCCC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263431504 141393541 /nfs/dbraw/zinc/39/35/41/141393541.db2.gz SYZHVIFRYCNFBP-UHFFFAOYSA-N 0 2 330.344 2.891 20 5 EFBDLN O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000342069101 141913835 /nfs/dbraw/zinc/91/38/35/141913835.db2.gz QBQJCWYGEYVKOL-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN Cc1cccc(C(=O)Nc2cccc(N3CCC3=O)c2)c1[N+](=O)[O-] ZINC000344971914 142105521 /nfs/dbraw/zinc/10/55/21/142105521.db2.gz BFUZRZWSKVXHSB-UHFFFAOYSA-N 0 2 325.324 2.892 20 5 EFBDLN COc1ccc(-c2ccc(CN=c3[nH]ncs3)o2)c([N+](=O)[O-])c1 ZINC000347785727 142271961 /nfs/dbraw/zinc/27/19/61/142271961.db2.gz ASIOGOTWVDNNSC-UHFFFAOYSA-N 0 2 332.341 2.749 20 5 EFBDLN O=C(NCc1ccnc(OC2CCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354522482 146731797 /nfs/dbraw/zinc/73/17/97/146731797.db2.gz UCTVVSDUCFNFKC-UHFFFAOYSA-N 0 2 343.339 2.557 20 5 EFBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000341204264 145012559 /nfs/dbraw/zinc/01/25/59/145012559.db2.gz JPKNASWCLYRYQX-SNVBAGLBSA-N 0 2 344.396 2.803 20 5 EFBDLN CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000342663578 145168969 /nfs/dbraw/zinc/16/89/69/145168969.db2.gz PVOPQUMFOARHTF-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1C(F)(F)F ZINC000342748930 145184282 /nfs/dbraw/zinc/18/42/82/145184282.db2.gz JBOWFRGUTWMAJK-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000351357557 146122614 /nfs/dbraw/zinc/12/26/14/146122614.db2.gz XJEWZGFYBZEOGR-UHFFFAOYSA-N 0 2 340.295 2.648 20 5 EFBDLN CC(C)(C(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000351625808 146161728 /nfs/dbraw/zinc/16/17/28/146161728.db2.gz BUUDQKKKIZFDNJ-UHFFFAOYSA-N 0 2 326.356 2.600 20 5 EFBDLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1SC ZINC000352012192 146264499 /nfs/dbraw/zinc/26/44/99/146264499.db2.gz ADZIPZJREDJCBC-HWKANZROSA-N 0 2 335.341 2.697 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OC(F)F)cc2)[nH]1 ZINC000352014004 146264703 /nfs/dbraw/zinc/26/47/03/146264703.db2.gz NNLGBELJYCWEPZ-UTCJRWHESA-N 0 2 325.227 2.568 20 5 EFBDLN COC(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000355757134 147053876 /nfs/dbraw/zinc/05/38/76/147053876.db2.gz JAZXWZVPWOMETG-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000355838958 147078766 /nfs/dbraw/zinc/07/87/66/147078766.db2.gz WDCFVASDQYIBBE-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000356003040 147120594 /nfs/dbraw/zinc/12/05/94/147120594.db2.gz INBJGSWWOPHCPN-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC000356285960 147200280 /nfs/dbraw/zinc/20/02/80/147200280.db2.gz WBKPVCKVXJKWBY-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H](C)[C@@H]1OC ZINC000356973080 147387249 /nfs/dbraw/zinc/38/72/49/147387249.db2.gz HRLAJOLODKRMMG-VQISRLSMSA-N 0 2 336.388 2.870 20 5 EFBDLN Cc1cc(=NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]nc1C ZINC000359493375 148100163 /nfs/dbraw/zinc/10/01/63/148100163.db2.gz MRIKJVYEQGVUGT-NSHDSACASA-N 0 2 332.385 2.543 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000359858655 148209023 /nfs/dbraw/zinc/20/90/23/148209023.db2.gz QTSGFWIQQWXQJR-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCO1 ZINC000364287314 149115383 /nfs/dbraw/zinc/11/53/83/149115383.db2.gz OJEGLTXRAGGVPS-KRWDZBQOSA-N 0 2 342.351 2.823 20 5 EFBDLN CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000446494397 286200841 /nfs/dbraw/zinc/20/08/41/286200841.db2.gz WGNKVOCFVQKZHZ-INIZCTEOSA-N 0 2 330.340 2.808 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc(F)c2C)c([N+](=O)[O-])c1 ZINC000174058278 264784299 /nfs/dbraw/zinc/78/42/99/264784299.db2.gz WKNAZUUCKRQXRC-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1ccccc1OCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184612592 265022785 /nfs/dbraw/zinc/02/27/85/265022785.db2.gz QMWYFFIPEWQRDR-UHFFFAOYSA-N 0 2 330.340 2.760 20 5 EFBDLN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184635492 265023746 /nfs/dbraw/zinc/02/37/46/265023746.db2.gz FSBIFNRFDAZSNV-SNVBAGLBSA-N 0 2 343.339 2.750 20 5 EFBDLN Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc2cc(F)ccc21 ZINC000187472944 265105433 /nfs/dbraw/zinc/10/54/33/265105433.db2.gz MDBUCAAMYHRKCR-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541061 272996148 /nfs/dbraw/zinc/99/61/48/272996148.db2.gz JDQMGYQLPRYZKS-GQCTYLIASA-N 0 2 336.735 2.648 20 5 EFBDLN Cc1noc(-c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000089531698 272996233 /nfs/dbraw/zinc/99/62/33/272996233.db2.gz UMEFXYXTHZLHRE-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN CN(C[C@H]1OCCc2ccccc21)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272421411 266259650 /nfs/dbraw/zinc/25/96/50/266259650.db2.gz QGFHNBRHWMFMMM-QGZVFWFLSA-N 0 2 342.351 2.686 20 5 EFBDLN O=C(CC1CCC2(CC1)OCCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000276579217 267016688 /nfs/dbraw/zinc/01/66/88/267016688.db2.gz XGSLYTGDTURGKU-UHFFFAOYSA-N 0 2 336.344 2.562 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)oc1C ZINC000276913321 267074504 /nfs/dbraw/zinc/07/45/04/267074504.db2.gz NVHRGUVFOQVKFP-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C(=O)[O-])c(C)n1 ZINC000277245285 267137531 /nfs/dbraw/zinc/13/75/31/267137531.db2.gz JMUWKWLHBAFXCP-UHFFFAOYSA-N 0 2 345.355 2.685 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cscc1C ZINC000161655080 273022354 /nfs/dbraw/zinc/02/23/54/273022354.db2.gz DZZDCVMSCMDSCF-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN CCn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000279352447 273205876 /nfs/dbraw/zinc/20/58/76/273205876.db2.gz CNEIMKLNXZFUIK-UHFFFAOYSA-N 0 2 344.371 2.537 20 5 EFBDLN CCn1nccc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000279451820 273216892 /nfs/dbraw/zinc/21/68/92/273216892.db2.gz KOZLEPOYLWKZPR-UHFFFAOYSA-N 0 2 344.371 2.537 20 5 EFBDLN CC(C)(C)c1coc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000283976933 273782151 /nfs/dbraw/zinc/78/21/51/273782151.db2.gz HHSKLMJCZSZOJD-UHFFFAOYSA-N 0 2 325.346 2.681 20 5 EFBDLN CCCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000287267397 274381426 /nfs/dbraw/zinc/38/14/26/274381426.db2.gz QOURBXSBKQJPEX-GQCTYLIASA-N 0 2 347.327 2.764 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065833883 292686011 /nfs/dbraw/zinc/68/60/11/292686011.db2.gz LVHKKTUYLJWNIE-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000186822319 289934739 /nfs/dbraw/zinc/93/47/39/289934739.db2.gz QWLAUHXUBPZOJR-UHFFFAOYSA-N 0 2 327.340 2.787 20 5 EFBDLN Cc1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000080299772 292802012 /nfs/dbraw/zinc/80/20/12/292802012.db2.gz BYBMFPLJPCTMML-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CCc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000080940823 292809337 /nfs/dbraw/zinc/80/93/37/292809337.db2.gz ZZKOFQQCFQRFOS-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN Cn1nc(C2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000120734693 292931768 /nfs/dbraw/zinc/93/17/68/292931768.db2.gz BEZZFAFTSGKILC-UHFFFAOYSA-N 0 2 330.344 2.944 20 5 EFBDLN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000125454993 293010504 /nfs/dbraw/zinc/01/05/04/293010504.db2.gz OPZCAPAXUXHYDE-GUYCJALGSA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000125454796 293010817 /nfs/dbraw/zinc/01/08/17/293010817.db2.gz OPZCAPAXUXHYDE-CXAGYDPISA-N 0 2 342.351 2.951 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)nc1 ZINC000131701949 293206050 /nfs/dbraw/zinc/20/60/50/293206050.db2.gz DQDJTWZKPUQACX-UHFFFAOYSA-N 0 2 349.368 2.610 20 5 EFBDLN O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131888533 293212248 /nfs/dbraw/zinc/21/22/48/293212248.db2.gz YFNWSUJBSZQKBF-KRWDZBQOSA-N 0 2 329.356 2.522 20 5 EFBDLN COCCCCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000291028344 294251904 /nfs/dbraw/zinc/25/19/04/294251904.db2.gz BAPODGONUKATIH-UHFFFAOYSA-N 0 2 345.355 2.917 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccncc1 ZINC000293813689 295054850 /nfs/dbraw/zinc/05/48/50/295054850.db2.gz HBVIOFWHOCDMGL-HNNXBMFYSA-N 0 2 327.340 2.919 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1c1ccncc1 ZINC000294031936 295101158 /nfs/dbraw/zinc/10/11/58/295101158.db2.gz URJNFCRGKXSYCK-HNNXBMFYSA-N 0 2 327.340 2.919 20 5 EFBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccncc1 ZINC000294133809 295116304 /nfs/dbraw/zinc/11/63/04/295116304.db2.gz ZTDSUQMQMDTWJE-OAHLLOKOSA-N 0 2 327.340 2.919 20 5 EFBDLN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCO2 ZINC000345043142 295270223 /nfs/dbraw/zinc/27/02/23/295270223.db2.gz FLBNZMHFXMOAAV-ZDUSSCGKSA-N 0 2 344.323 2.563 20 5 EFBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)oc2c1C(=O)CCC2 ZINC000092546465 300944734 /nfs/dbraw/zinc/94/47/34/300944734.db2.gz FARIQKXDTMREDQ-UHFFFAOYSA-N 0 2 330.296 2.973 20 5 EFBDLN Cc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000373479731 302220388 /nfs/dbraw/zinc/22/03/88/302220388.db2.gz KEWJACZZIMKKQO-QGZVFWFLSA-N 0 2 342.351 2.823 20 5 EFBDLN Cn1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc2ccc(F)cc21 ZINC000436820480 302896797 /nfs/dbraw/zinc/89/67/97/302896797.db2.gz QWXJISAFXUCOAE-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000135523533 310656395 /nfs/dbraw/zinc/65/63/95/310656395.db2.gz HVWFDGXVLQFBFQ-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2ccc(C)cc2O)cc1[N+](=O)[O-] ZINC000163937926 310728812 /nfs/dbraw/zinc/72/88/12/310728812.db2.gz BFKBMWHGPIJFAR-UHFFFAOYSA-N 0 2 328.371 2.780 20 5 EFBDLN COc1ccc(Cn2ccc(Nc3ncccc3[N+](=O)[O-])n2)cc1 ZINC000302352106 311188659 /nfs/dbraw/zinc/18/86/59/311188659.db2.gz BUHFCPYRGIULEW-UHFFFAOYSA-N 0 2 325.328 2.987 20 5 EFBDLN CC(C)[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC12CCOCC2 ZINC000412759310 312009183 /nfs/dbraw/zinc/00/91/83/312009183.db2.gz SXYWLHHRFHWSRU-HNNXBMFYSA-N 0 2 334.372 2.578 20 5 EFBDLN C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(F)F ZINC000451073549 312811682 /nfs/dbraw/zinc/81/16/82/312811682.db2.gz RJGWRLJLHYCUKJ-ZCFIWIBFSA-N 0 2 328.724 2.570 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000491604569 313769347 /nfs/dbraw/zinc/76/93/47/313769347.db2.gz NKQYWGKCHFOUAA-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COC(=O)Nc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1F ZINC000494710252 314627806 /nfs/dbraw/zinc/62/78/06/314627806.db2.gz JUEHKUJYYSWSBI-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN COC(=O)N(C)c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000495523251 314741796 /nfs/dbraw/zinc/74/17/96/314741796.db2.gz HBIOZJKELSALAQ-UHFFFAOYSA-N 0 2 345.311 2.755 20 5 EFBDLN CC(C)C[C@H](NC(=O)OC(C)(C)C)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000496593786 315123886 /nfs/dbraw/zinc/12/38/86/315123886.db2.gz DGECQPQJAGGUTF-OUAUKWLOSA-N 0 2 340.380 2.814 20 5 EFBDLN Cc1cc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)oc1C(=O)[O-] ZINC000520416593 315955384 /nfs/dbraw/zinc/95/53/84/315955384.db2.gz LJGACYSNWWYZAO-UHFFFAOYSA-N 0 2 345.355 2.517 20 5 EFBDLN Cc1[nH][nH]c(=NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1-c1ccccc1 ZINC000522168830 316077721 /nfs/dbraw/zinc/07/77/21/316077721.db2.gz XHXCSGZAPVDPKL-UHFFFAOYSA-N 0 2 338.323 2.673 20 5 EFBDLN COc1ccc2c(c1)CCCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000540932902 317759376 /nfs/dbraw/zinc/75/93/76/317759376.db2.gz MDFCZTIONNBKCL-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN Nc1nccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1[N+](=O)[O-] ZINC000548745676 318139099 /nfs/dbraw/zinc/13/90/99/318139099.db2.gz VAYFWWZAPVUPRG-UHFFFAOYSA-N 0 2 343.126 2.667 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC=C(c2ccccn2)C1 ZINC000552384454 318254610 /nfs/dbraw/zinc/25/46/10/318254610.db2.gz CBWOAXVKRURYCG-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2ccc(C3CC3)nn2)cc1[N+](=O)[O-] ZINC000568391893 319279660 /nfs/dbraw/zinc/27/96/60/319279660.db2.gz UDXXHHDTEVHTRG-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)s1 ZINC000568627862 319302780 /nfs/dbraw/zinc/30/27/80/319302780.db2.gz IMDRRMNZLONGCO-UHFFFAOYSA-N 0 2 341.414 2.977 20 5 EFBDLN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000570931336 319526736 /nfs/dbraw/zinc/52/67/36/319526736.db2.gz LNCRJQUMFLCRHV-XHDPSFHLSA-N 0 2 330.344 2.577 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2nc(C)c(C)o2)cc1[N+](=O)[O-] ZINC000574158397 319835864 /nfs/dbraw/zinc/83/58/64/319835864.db2.gz OCSOWHGWZSPKEO-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000181919583 323255851 /nfs/dbraw/zinc/25/58/51/323255851.db2.gz GCYVURHRKLLIBQ-UHFFFAOYSA-N 0 2 340.257 2.990 20 5 EFBDLN O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183918015 323351206 /nfs/dbraw/zinc/35/12/06/323351206.db2.gz AOAOXEKDENHOAM-UHFFFAOYSA-N 0 2 344.283 2.515 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])sc1C ZINC000066249389 462867140 /nfs/dbraw/zinc/86/71/40/462867140.db2.gz SRURPXLNCLNGHR-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])sc1C ZINC000097037051 463308455 /nfs/dbraw/zinc/30/84/55/463308455.db2.gz YHAOALXFLTWBMR-UHFFFAOYSA-N 0 2 341.414 2.653 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc1C ZINC000069901246 463348685 /nfs/dbraw/zinc/34/86/85/463348685.db2.gz UPFRZWQNOOIQCV-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CCc1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000142066590 473262060 /nfs/dbraw/zinc/26/20/60/473262060.db2.gz SAZOFHDYJXHMRX-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000184957319 473284625 /nfs/dbraw/zinc/28/46/25/473284625.db2.gz HEDBXMREUMKQRL-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000161974009 473289818 /nfs/dbraw/zinc/28/98/18/473289818.db2.gz YYCZFIDXNFTRDD-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]c1C(F)(F)F ZINC000613916354 469815282 /nfs/dbraw/zinc/81/52/82/469815282.db2.gz XSGWXTGHEOYCKM-UHFFFAOYSA-N 0 2 330.222 2.603 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000616340059 479885671 /nfs/dbraw/zinc/88/56/71/479885671.db2.gz BNXOVACLHGGVLB-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN COCCN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361413083 475429356 /nfs/dbraw/zinc/42/93/56/475429356.db2.gz OZYXKOIIMXICFF-CYBMUJFWSA-N 0 2 334.372 2.745 20 5 EFBDLN O=C(NCc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067138707 471996726 /nfs/dbraw/zinc/99/67/26/471996726.db2.gz NPTFGVCYCYTCBR-UHFFFAOYSA-N 0 2 341.367 2.831 20 5 EFBDLN O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000023454307 472032776 /nfs/dbraw/zinc/03/27/76/472032776.db2.gz SCFLXXRNWLRGDW-UHFFFAOYSA-N 0 2 338.222 2.874 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000024381168 472053884 /nfs/dbraw/zinc/05/38/84/472053884.db2.gz XAFHPDPSPZYKLV-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CCn1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000024577268 472060310 /nfs/dbraw/zinc/06/03/10/472060310.db2.gz UZBKAMAUFMCDTG-UHFFFAOYSA-N 0 2 344.780 2.574 20 5 EFBDLN CC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000068466690 472196458 /nfs/dbraw/zinc/19/64/58/472196458.db2.gz FMXFJZVCDWWNKH-UHFFFAOYSA-N 0 2 329.312 2.535 20 5 EFBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055631958 472214443 /nfs/dbraw/zinc/21/44/43/472214443.db2.gz YOOXGWWAFMQCOC-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN COc1c(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000055682706 472224020 /nfs/dbraw/zinc/22/40/20/472224020.db2.gz RSGIAIAPDVJWLU-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000088545758 472371480 /nfs/dbraw/zinc/37/14/80/472371480.db2.gz VPWMCBOJXUWOCZ-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000089530865 472457547 /nfs/dbraw/zinc/45/75/47/472457547.db2.gz ZEDPARUVLQFXBO-NSHDSACASA-N 0 2 349.387 2.524 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)nc1 ZINC000089531669 472457746 /nfs/dbraw/zinc/45/77/46/472457746.db2.gz GNUXHWLXNXZKDX-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN Cc1cc(F)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000097144357 472464047 /nfs/dbraw/zinc/46/40/47/472464047.db2.gz PULAYQGCHGATNO-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN O=C(NCc1ncc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1O ZINC000129548188 472550491 /nfs/dbraw/zinc/55/04/91/472550491.db2.gz URNMKAZZBRIWAB-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=C(NCc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000129802278 472566519 /nfs/dbraw/zinc/56/65/19/472566519.db2.gz AAVHQEIDZBWXIE-UHFFFAOYSA-N 0 2 347.274 2.706 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(C)c1 ZINC000103060809 472608296 /nfs/dbraw/zinc/60/82/96/472608296.db2.gz OHDXLFSQQRNRRR-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCc1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000103201145 472617806 /nfs/dbraw/zinc/61/78/06/472617806.db2.gz IIYZLZGKBYIGFE-UHFFFAOYSA-N 0 2 344.356 2.651 20 5 EFBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000060436718 472656024 /nfs/dbraw/zinc/65/60/24/472656024.db2.gz PRENCJIKZNOWMM-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000072758339 472711871 /nfs/dbraw/zinc/71/18/71/472711871.db2.gz UTFIRXSFQVMGKF-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(Nc1nnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073118753 472774044 /nfs/dbraw/zinc/77/40/44/472774044.db2.gz DGZNBYUGSBGQNH-UHFFFAOYSA-N 0 2 332.297 2.664 20 5 EFBDLN CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000063698893 472802388 /nfs/dbraw/zinc/80/23/88/472802388.db2.gz IHLXEKNFAATRNL-UHFFFAOYSA-N 0 2 344.327 2.694 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2[nH]1 ZINC000157562555 472832947 /nfs/dbraw/zinc/83/29/47/472832947.db2.gz ANEBVGTYNKOKLD-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C ZINC000079256608 472838872 /nfs/dbraw/zinc/83/88/72/472838872.db2.gz SISSWOKEAUVSLX-UHFFFAOYSA-N 0 2 347.805 2.544 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000092545882 472931799 /nfs/dbraw/zinc/93/17/99/472931799.db2.gz VFCJDPRHDCBCAK-UHFFFAOYSA-N 0 2 343.217 2.672 20 5 EFBDLN O=C(CCc1nc(-c2ccoc2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546969 472933674 /nfs/dbraw/zinc/93/36/74/472933674.db2.gz UAVQXYOZBILYQU-UHFFFAOYSA-N 0 2 344.283 2.515 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1F ZINC000158534868 472945937 /nfs/dbraw/zinc/94/59/37/472945937.db2.gz ADAMHWBMOZXJPO-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2C(C)C)cc1C ZINC000066248446 473063781 /nfs/dbraw/zinc/06/37/81/473063781.db2.gz WCOZEQAOAYFYHU-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC000109423982 473100043 /nfs/dbraw/zinc/10/00/43/473100043.db2.gz JKAVWEQJMXZOEY-UHFFFAOYSA-N 0 2 335.385 2.770 20 5 EFBDLN Cc1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000080972299 473119501 /nfs/dbraw/zinc/11/95/01/473119501.db2.gz OXFDAFGZTUGGHR-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN O=C(NCc1csc(-c2ccco2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000160523689 473137247 /nfs/dbraw/zinc/13/72/47/473137247.db2.gz LRVSUOIEPQKZLP-UHFFFAOYSA-N 0 2 345.336 2.947 20 5 EFBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000160540149 473138784 /nfs/dbraw/zinc/13/87/84/473138784.db2.gz BCBBIPLQKAEXOY-GJZGRUSLSA-N 0 2 334.372 2.720 20 5 EFBDLN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000160756680 473171333 /nfs/dbraw/zinc/17/13/33/473171333.db2.gz PRPIKCIORBFPHX-CYBMUJFWSA-N 0 2 334.372 2.912 20 5 EFBDLN CCO[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000075357283 473174236 /nfs/dbraw/zinc/17/42/36/473174236.db2.gz AADLUYZAITVYBF-HUUCEWRRSA-N 0 2 334.372 2.768 20 5 EFBDLN CCc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000123717523 473176464 /nfs/dbraw/zinc/17/64/64/473176464.db2.gz CGMOJVYMXUVRCF-UHFFFAOYSA-N 0 2 344.389 2.836 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1C ZINC000160917034 473190751 /nfs/dbraw/zinc/19/07/51/473190751.db2.gz UXJOSNQUIGVVJF-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171828014 473465997 /nfs/dbraw/zinc/46/59/97/473465997.db2.gz SITOTMKOWDKARN-GFCCVEGCSA-N 0 2 332.287 2.693 20 5 EFBDLN CCn1ncc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000185620343 473469683 /nfs/dbraw/zinc/46/96/83/473469683.db2.gz UEWDFHLIFXWZSK-UHFFFAOYSA-N 0 2 326.312 2.922 20 5 EFBDLN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000163905559 473471522 /nfs/dbraw/zinc/47/15/22/473471522.db2.gz AUCTWMOYKBAPOJ-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2O)c(Cl)c1 ZINC000126094953 473487667 /nfs/dbraw/zinc/48/76/67/473487667.db2.gz AVOGSSHOYDBWDP-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c3ccccc3[nH]c2C1 ZINC000185746419 473504554 /nfs/dbraw/zinc/50/45/54/473504554.db2.gz GIBIGKNTOXNLFE-UHFFFAOYSA-N 0 2 337.335 2.980 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccnn2C(C)C)c1C ZINC000152083297 473522646 /nfs/dbraw/zinc/52/26/46/473522646.db2.gz RYDVICZTAKMTJY-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3[nH]c[nH+]c32)c1[N+](=O)[O-] ZINC000191767762 473575783 /nfs/dbraw/zinc/57/57/83/473575783.db2.gz ZCRXFLLFZYRZFW-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2ccncc2)CC1 ZINC000192277006 473661953 /nfs/dbraw/zinc/66/19/53/473661953.db2.gz HTUWBHAFZRJPHD-UHFFFAOYSA-N 0 2 327.340 2.715 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)cccc1F ZINC000186507125 473683655 /nfs/dbraw/zinc/68/36/55/473683655.db2.gz OTDYWHRQCROUID-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 ZINC000179426819 473686752 /nfs/dbraw/zinc/68/67/52/473686752.db2.gz OQSAGNFMNGAUTQ-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000172904724 473699444 /nfs/dbraw/zinc/69/94/44/473699444.db2.gz PHZJPMZCWMCDKN-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cccc(CS(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000186623373 473704825 /nfs/dbraw/zinc/70/48/25/473704825.db2.gz WEJCDQKNVFFRBO-UHFFFAOYSA-N 0 2 346.368 2.721 20 5 EFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000187039596 473805748 /nfs/dbraw/zinc/80/57/48/473805748.db2.gz OQYHSELFPBMOCY-UHFFFAOYSA-N 0 2 346.752 2.555 20 5 EFBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nc(C(F)(F)F)n1 ZINC000187267279 473850190 /nfs/dbraw/zinc/85/01/90/473850190.db2.gz RHTOXKALJJUDKI-UHFFFAOYSA-N 0 2 342.233 2.670 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000282138197 473957266 /nfs/dbraw/zinc/95/72/66/473957266.db2.gz PTIZFDSMVITIBH-MPESAESLSA-N 0 2 348.399 2.702 20 5 EFBDLN O=C(NCc1cccc(N2CC=CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000182038799 474086293 /nfs/dbraw/zinc/08/62/93/474086293.db2.gz GVTZJOCKEAPARE-UHFFFAOYSA-N 0 2 339.351 2.607 20 5 EFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](c2ccccc2)CO1 ZINC000182065584 474091657 /nfs/dbraw/zinc/09/16/57/474091657.db2.gz UNFMEEIIYKGEQE-WBMJQRKESA-N 0 2 342.351 2.903 20 5 EFBDLN C[C@@H](O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000182106225 474100602 /nfs/dbraw/zinc/10/06/02/474100602.db2.gz RMPFZGHGYYFUHP-TZMCWYRMSA-N 0 2 344.367 2.585 20 5 EFBDLN O=[N+]([O-])c1ccsc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000613701160 480082877 /nfs/dbraw/zinc/08/28/77/480082877.db2.gz VKPWMIWXIKWSER-UHFFFAOYSA-N 0 2 331.357 2.966 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000183201465 474349196 /nfs/dbraw/zinc/34/91/96/474349196.db2.gz JEUMZUONUPEJBP-UHFFFAOYSA-N 0 2 327.387 2.805 20 5 EFBDLN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccnc1 ZINC000176340872 474446448 /nfs/dbraw/zinc/44/64/48/474446448.db2.gz AQVBNYRYCQGTNB-AWEZNQCLSA-N 0 2 329.356 2.865 20 5 EFBDLN Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284037560 474556450 /nfs/dbraw/zinc/55/64/50/474556450.db2.gz ISZBXDDIFORUOB-UHFFFAOYSA-N 0 2 333.348 2.530 20 5 EFBDLN O=C(N[C@@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000190250379 474569514 /nfs/dbraw/zinc/56/95/14/474569514.db2.gz PKBHLBOKTFUKSI-CYBMUJFWSA-N 0 2 328.324 2.813 20 5 EFBDLN O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184679846 474581726 /nfs/dbraw/zinc/58/17/26/474581726.db2.gz RULSCDOSYRENKM-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=C(NCc1coc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000184700860 474588699 /nfs/dbraw/zinc/58/86/99/474588699.db2.gz SWTUVZNORKZUTQ-UHFFFAOYSA-N 0 2 345.336 2.947 20 5 EFBDLN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000184779262 474605124 /nfs/dbraw/zinc/60/51/24/474605124.db2.gz VSBLBFUZLDQQMS-XHDPSFHLSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000184781482 474606706 /nfs/dbraw/zinc/60/67/06/474606706.db2.gz HXHWVYTWGOEHKV-XHDPSFHLSA-N 0 2 327.340 2.919 20 5 EFBDLN Cc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000315237453 474870012 /nfs/dbraw/zinc/87/00/12/474870012.db2.gz CVOQGQQDLUDIGA-UHFFFAOYSA-N 0 2 330.362 2.582 20 5 EFBDLN COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613925477 480147664 /nfs/dbraw/zinc/14/76/64/480147664.db2.gz QDACDBOLBMRIKZ-ZDUSSCGKSA-N 0 2 344.323 2.563 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000281329566 475173172 /nfs/dbraw/zinc/17/31/72/475173172.db2.gz UCELCVHAARVBBG-GUYCJALGSA-N 0 2 342.351 2.808 20 5 EFBDLN O=C(NCC1(c2ccncc2)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345574471 475276884 /nfs/dbraw/zinc/27/68/84/475276884.db2.gz XPCGCMHWYQRJOS-UHFFFAOYSA-N 0 2 341.367 2.937 20 5 EFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1NC(C)=O ZINC000339629373 475360541 /nfs/dbraw/zinc/36/05/41/475360541.db2.gz UPAGRMINLKOZHW-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(C(F)F)c2)c1 ZINC000361772766 475739929 /nfs/dbraw/zinc/73/99/29/475739929.db2.gz PYJPDZZOUJXHIT-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OC ZINC000358534929 475752910 /nfs/dbraw/zinc/75/29/10/475752910.db2.gz MUVLKIYETMNTSH-UHFFFAOYSA-N 0 2 346.339 2.638 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348770440 475859514 /nfs/dbraw/zinc/85/95/14/475859514.db2.gz MEMVEUYJUDJNSA-SUMWQHHRSA-N 0 2 342.351 2.808 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)cc1[N+](=O)[O-] ZINC000358807994 475955334 /nfs/dbraw/zinc/95/53/34/475955334.db2.gz ZJJMBBCXXGGVLC-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CC(C)(O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000355493635 475983453 /nfs/dbraw/zinc/98/34/53/475983453.db2.gz JGRJACCXDUVUKN-UHFFFAOYSA-N 0 2 346.339 2.702 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1 ZINC000343424970 476052987 /nfs/dbraw/zinc/05/29/87/476052987.db2.gz YHEPXUXPTFUBPY-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN COc1ccc(OC)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340541236 476096443 /nfs/dbraw/zinc/09/64/43/476096443.db2.gz BPKQTOTWXXHWPB-UHFFFAOYSA-N 0 2 346.339 2.889 20 5 EFBDLN COc1ccc(=NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)[nH]n1 ZINC000340701383 476217817 /nfs/dbraw/zinc/21/78/17/476217817.db2.gz OTOBNIHSVYNMCN-UHFFFAOYSA-N 0 2 343.368 2.551 20 5 EFBDLN COc1ccc(=NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]n1 ZINC000340714264 476226114 /nfs/dbraw/zinc/22/61/14/476226114.db2.gz VEBCWPYXPYPOKR-UHFFFAOYSA-N 0 2 326.312 2.687 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c([N+](=O)[O-])c1 ZINC000357160396 476269536 /nfs/dbraw/zinc/26/95/36/476269536.db2.gz UJYDGEXJTBELGE-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN CSc1nnc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)s1 ZINC000350933252 476315424 /nfs/dbraw/zinc/31/54/24/476315424.db2.gz PVKQSUJCXJEJKV-UHFFFAOYSA-N 0 2 337.342 2.591 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000360630113 476322914 /nfs/dbraw/zinc/32/29/14/476322914.db2.gz QCQQIBNZSVHPDI-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(Nc1cc(-c2cccc(F)c2)on1)c1cc(O)ccc1[N+](=O)[O-] ZINC000357451245 476391962 /nfs/dbraw/zinc/39/19/62/476391962.db2.gz AFHKUNXETYQJBF-UHFFFAOYSA-N 0 2 343.270 2.769 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000351287986 476397829 /nfs/dbraw/zinc/39/78/29/476397829.db2.gz KLBWSDRZDHTCCB-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN CC(C)n1ncc2c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000373474362 476407057 /nfs/dbraw/zinc/40/70/57/476407057.db2.gz XXKYQIRYZCEIBF-CQSZACIVSA-N 0 2 344.371 2.885 20 5 EFBDLN CC(C)c1c(Nc2ncc([N+](=O)[O-])c(N)n2)cnn1-c1ccccc1 ZINC000362954352 476500255 /nfs/dbraw/zinc/50/02/55/476500255.db2.gz JTMQNCOPUGMJCZ-UHFFFAOYSA-N 0 2 339.359 2.850 20 5 EFBDLN O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000354205468 476502193 /nfs/dbraw/zinc/50/21/93/476502193.db2.gz GUXRGBJPVVOOCO-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN COCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000357671981 476530269 /nfs/dbraw/zinc/53/02/69/476530269.db2.gz IRZOUUZUDWSDOU-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN CCc1nc([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000374798914 476534863 /nfs/dbraw/zinc/53/48/63/476534863.db2.gz ILMULAPYMLVKFP-LBPRGKRZSA-N 0 2 346.343 2.613 20 5 EFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000377814267 476594898 /nfs/dbraw/zinc/59/48/98/476594898.db2.gz MTOQBSUTPJIRNV-QMTHXVAHSA-N 0 2 328.324 2.595 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000354520726 476704265 /nfs/dbraw/zinc/70/42/65/476704265.db2.gz KDBXATUUSWQFEN-LBPRGKRZSA-N 0 2 336.731 2.668 20 5 EFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000370470318 476826087 /nfs/dbraw/zinc/82/60/87/476826087.db2.gz QYHFNDVFLNJEAP-GWCFXTLKSA-N 0 2 328.324 2.595 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000366223926 476912584 /nfs/dbraw/zinc/91/25/84/476912584.db2.gz YTKSLUAZQQGTGF-RMLUDKJBSA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C2CC2)nn1 ZINC000446970918 476938189 /nfs/dbraw/zinc/93/81/89/476938189.db2.gz HPDFPANURHWQDM-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN CC(C)(C(=O)N=c1ccc(C2CC2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000410483265 477010287 /nfs/dbraw/zinc/01/02/87/477010287.db2.gz MLRLTOKDLSUHES-UHFFFAOYSA-N 0 2 326.356 2.600 20 5 EFBDLN O=C(Nc1nc(C2CCOCC2)cs1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000376204708 477226759 /nfs/dbraw/zinc/22/67/59/477226759.db2.gz FXOJKLDSKWLHNS-UHFFFAOYSA-N 0 2 349.368 2.903 20 5 EFBDLN Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CCO2 ZINC000376398236 477313869 /nfs/dbraw/zinc/31/38/69/477313869.db2.gz VGHYSCVNWRJUHM-UHFFFAOYSA-N 0 2 328.324 2.644 20 5 EFBDLN Cc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CCO2 ZINC000376449437 477339829 /nfs/dbraw/zinc/33/98/29/477339829.db2.gz MVJAYJKZMGVZNW-UHFFFAOYSA-N 0 2 328.324 2.644 20 5 EFBDLN COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000371609297 477407917 /nfs/dbraw/zinc/40/79/17/477407917.db2.gz VHQPCZMNOPIOIU-UHFFFAOYSA-N 0 2 340.335 2.848 20 5 EFBDLN CN1CCCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000371788266 477495543 /nfs/dbraw/zinc/49/55/43/477495543.db2.gz KGNOKRAAEGDKTG-UHFFFAOYSA-N 0 2 345.330 2.926 20 5 EFBDLN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633409 477538591 /nfs/dbraw/zinc/53/85/91/477538591.db2.gz AVSLXKNXQWBEJS-CQSZACIVSA-N 0 2 344.323 2.720 20 5 EFBDLN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436636392 477539914 /nfs/dbraw/zinc/53/99/14/477539914.db2.gz QXRNEVUAPZXLCB-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN CCCc1[nH]nc(C(=O)Nc2cc(C(=O)CC)ccc2O)c1[N+](=O)[O-] ZINC000436650313 477546383 /nfs/dbraw/zinc/54/63/83/477546383.db2.gz YVOFRLHFLHPUCM-UHFFFAOYSA-N 0 2 346.343 2.821 20 5 EFBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)N(C)c1ccccc1 ZINC000436673231 477554055 /nfs/dbraw/zinc/55/40/55/477554055.db2.gz QFXUBRFOWCFBJC-GFCCVEGCSA-N 0 2 329.356 2.555 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436744789 477577822 /nfs/dbraw/zinc/57/78/22/477577822.db2.gz PSHNOUJRRUSXSX-VXJOIVPMSA-N 0 2 332.287 2.692 20 5 EFBDLN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436747779 477579096 /nfs/dbraw/zinc/57/90/96/477579096.db2.gz CHLBBVZASFDWSV-UHFFFAOYSA-N 0 2 346.339 2.638 20 5 EFBDLN COc1cccc(C2(CNC(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000436780584 477586891 /nfs/dbraw/zinc/58/68/91/477586891.db2.gz FECICWALELIFLP-UHFFFAOYSA-N 0 2 342.351 2.771 20 5 EFBDLN CCOC(=O)c1cnc(C(C)=Cc2ccc(O)c([N+](=O)[O-])c2)[nH]c1=O ZINC000436817574 477598606 /nfs/dbraw/zinc/59/86/06/477598606.db2.gz RXWQZNFWTCGZSF-TWGQIWQCSA-N 0 2 345.311 2.533 20 5 EFBDLN O=C(NCCc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1O ZINC000436835431 477605435 /nfs/dbraw/zinc/60/54/35/477605435.db2.gz DSKUXVRGBSDCOS-UHFFFAOYSA-N 0 2 340.257 2.690 20 5 EFBDLN O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436872380 477622443 /nfs/dbraw/zinc/62/24/43/477622443.db2.gz WEEJHKUXPAPWAT-UHFFFAOYSA-N 0 2 330.315 2.901 20 5 EFBDLN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894011 477628365 /nfs/dbraw/zinc/62/83/65/477628365.db2.gz QASACQKTRJVXOY-QLJPJBMISA-N 0 2 348.330 2.946 20 5 EFBDLN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)c1cc(F)ccc1O ZINC000436927085 477637312 /nfs/dbraw/zinc/63/73/12/477637312.db2.gz OFGCERZZWUMIRS-UHFFFAOYSA-N 0 2 342.286 2.504 20 5 EFBDLN COCCN(Cc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436950045 477644695 /nfs/dbraw/zinc/64/46/95/477644695.db2.gz LVZZWPFCHJIRMP-UHFFFAOYSA-N 0 2 336.369 2.651 20 5 EFBDLN O=C(Nc1nccn1Cc1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436952956 477647256 /nfs/dbraw/zinc/64/72/56/477647256.db2.gz ZXMQIRWGAHTENK-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN CC(C)(C)Oc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000436958343 477648588 /nfs/dbraw/zinc/64/85/88/477648588.db2.gz GVDPBVLAWJMQJQ-UHFFFAOYSA-N 0 2 345.355 2.803 20 5 EFBDLN O=C(Nc1nnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436960548 477648802 /nfs/dbraw/zinc/64/88/02/477648802.db2.gz RDYCXROEQVBTSX-UHFFFAOYSA-N 0 2 332.297 2.664 20 5 EFBDLN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000436958951 477648922 /nfs/dbraw/zinc/64/89/22/477648922.db2.gz KPQDNHRURJDWKY-UHFFFAOYSA-N 0 2 346.339 2.886 20 5 EFBDLN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436959746 477649119 /nfs/dbraw/zinc/64/91/19/477649119.db2.gz NZYMGFUGLMWNTH-ZBFHGGJFSA-N 0 2 342.351 2.985 20 5 EFBDLN O=C(NCCOc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000436959775 477649183 /nfs/dbraw/zinc/64/91/83/477649183.db2.gz HUBRXVZKMGPUHT-UHFFFAOYSA-N 0 2 336.731 2.763 20 5 EFBDLN CC[C@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000436961846 477649190 /nfs/dbraw/zinc/64/91/90/477649190.db2.gz VECACQFFOHVHMP-NSHDSACASA-N 0 2 345.355 2.803 20 5 EFBDLN CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436959250 477649618 /nfs/dbraw/zinc/64/96/18/477649618.db2.gz MIFBONBUEPVUHP-HWPZZCPQSA-N 0 2 348.330 2.946 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)COCc1ccccc1 ZINC000436958284 477649781 /nfs/dbraw/zinc/64/97/81/477649781.db2.gz GCEAMKJMYLNOBA-ZDUSSCGKSA-N 0 2 344.367 2.883 20 5 EFBDLN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)COCc1ccccc1 ZINC000436969416 477652064 /nfs/dbraw/zinc/65/20/64/477652064.db2.gz YCONHAFABIKHEN-ZDUSSCGKSA-N 0 2 344.367 2.883 20 5 EFBDLN O=C(NCCCOCCc1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436966635 477652279 /nfs/dbraw/zinc/65/22/79/477652279.db2.gz OBVXORPRCIEQGK-UHFFFAOYSA-N 0 2 344.367 2.680 20 5 EFBDLN COc1ccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000436974116 477654884 /nfs/dbraw/zinc/65/48/84/477654884.db2.gz WKHVQKVLULEDHF-UHFFFAOYSA-N 0 2 328.324 2.728 20 5 EFBDLN CCOc1ccccc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436983033 477656062 /nfs/dbraw/zinc/65/60/62/477656062.db2.gz ZJPFCDLTLDBNLL-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436999024 477659542 /nfs/dbraw/zinc/65/95/42/477659542.db2.gz IINZGVABIORDAC-ZDUSSCGKSA-N 0 2 341.367 2.699 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC000451049898 477801347 /nfs/dbraw/zinc/80/13/47/477801347.db2.gz OJZBFKCPWYYHAZ-UHFFFAOYSA-N 0 2 347.396 2.896 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC000451047362 477801702 /nfs/dbraw/zinc/80/17/02/477801702.db2.gz IIVXTFCAQHHGFE-UHFFFAOYSA-N 0 2 347.396 2.842 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC000451095393 477820654 /nfs/dbraw/zinc/82/06/54/477820654.db2.gz KZTASKXHHMLSDU-UHFFFAOYSA-N 0 2 347.396 2.842 20 5 EFBDLN O=C([O-])c1sccc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000516195175 477907828 /nfs/dbraw/zinc/90/78/28/477907828.db2.gz OPSQSKXWCOFQRL-UHFFFAOYSA-N 0 2 334.353 2.749 20 5 EFBDLN O=C([O-])c1sccc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000516195175 477907835 /nfs/dbraw/zinc/90/78/35/477907835.db2.gz OPSQSKXWCOFQRL-UHFFFAOYSA-N 0 2 334.353 2.749 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCOC2=O)c1 ZINC000494064853 477913720 /nfs/dbraw/zinc/91/37/20/477913720.db2.gz JYJPFCAEVXBWAD-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN O=C(N=c1cc(C2CCCCC2)[nH][nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000439338711 477966068 /nfs/dbraw/zinc/96/60/68/477966068.db2.gz GNQSCAYJLIUBPA-UHFFFAOYSA-N 0 2 330.344 2.745 20 5 EFBDLN COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000439728862 478021664 /nfs/dbraw/zinc/02/16/64/478021664.db2.gz AGALAULSLLVMCH-WMZOPIPTSA-N 0 2 342.351 2.769 20 5 EFBDLN O=C(Nc1ccccc1N1CCOC1=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000495207846 478142068 /nfs/dbraw/zinc/14/20/68/478142068.db2.gz OJOCFJJYUQUCDA-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000495534045 478220577 /nfs/dbraw/zinc/22/05/77/478220577.db2.gz PPBGLZLHDCNMDJ-SNVBAGLBSA-N 0 2 339.348 2.542 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cncc2ccccc21 ZINC000536185184 478243647 /nfs/dbraw/zinc/24/36/47/478243647.db2.gz KCDFYXZEKVTSOQ-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590776558 478332994 /nfs/dbraw/zinc/33/29/94/478332994.db2.gz CXZFMBMHSHZSJG-CABCVRRESA-N 0 2 346.383 2.722 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000600667176 478459439 /nfs/dbraw/zinc/45/94/39/478459439.db2.gz BECJMVOKIGXHGG-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(C)cc1[N+](=O)[O-] ZINC000591258570 478500792 /nfs/dbraw/zinc/50/07/92/478500792.db2.gz YIHKXKRRCGTOQT-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000594722108 478513071 /nfs/dbraw/zinc/51/30/71/478513071.db2.gz YXEJBIPAOPLOPP-CQSZACIVSA-N 0 2 328.390 2.542 20 5 EFBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000594721393 478513345 /nfs/dbraw/zinc/51/33/45/478513345.db2.gz RZKVLJLNIKLJHG-HNNXBMFYSA-N 0 2 342.417 2.932 20 5 EFBDLN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)cn1 ZINC000600812738 478530843 /nfs/dbraw/zinc/53/08/43/478530843.db2.gz IODXSHFPOXFYRC-INIZCTEOSA-N 0 2 343.339 2.585 20 5 EFBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)c1ccccc1 ZINC000563839606 478642561 /nfs/dbraw/zinc/64/25/61/478642561.db2.gz CMTISOYPZFFBJJ-UHFFFAOYSA-N 0 2 328.324 2.692 20 5 EFBDLN O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc(F)c(F)c(O)c1F ZINC000542649587 478669491 /nfs/dbraw/zinc/66/94/91/478669491.db2.gz JFLLWTNQWRREIE-UHFFFAOYSA-N 0 2 340.257 2.690 20 5 EFBDLN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565548695 479034132 /nfs/dbraw/zinc/03/41/32/479034132.db2.gz HKHDCAAFLFRDHR-UHFFFAOYSA-N 0 2 346.339 2.843 20 5 EFBDLN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000565548695 479034139 /nfs/dbraw/zinc/03/41/39/479034139.db2.gz HKHDCAAFLFRDHR-UHFFFAOYSA-N 0 2 346.339 2.843 20 5 EFBDLN Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976995 479113695 /nfs/dbraw/zinc/11/36/95/479113695.db2.gz VVSWXLGGBWOTQX-GFCCVEGCSA-N 0 2 342.355 2.687 20 5 EFBDLN O=C(CC1CCN(CC(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000602127259 479192764 /nfs/dbraw/zinc/19/27/64/479192764.db2.gz SUMPXUGJGJYODH-UHFFFAOYSA-N 0 2 343.330 2.606 20 5 EFBDLN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611535049 479408390 /nfs/dbraw/zinc/40/83/90/479408390.db2.gz IWCOUHFTFLCSNK-AWEZNQCLSA-N 0 2 344.323 2.563 20 5 EFBDLN CCC(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000603920172 479452249 /nfs/dbraw/zinc/45/22/49/479452249.db2.gz IKISIEYOFPNCKP-UHFFFAOYSA-N 0 2 343.339 2.579 20 5 EFBDLN CCn1cc(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C(C)C)cn1 ZINC000593835762 479480188 /nfs/dbraw/zinc/48/01/88/479480188.db2.gz OPDKXSRYPGJYMJ-UHFFFAOYSA-N 0 2 332.360 2.568 20 5 EFBDLN COc1ccccc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000590597695 479665800 /nfs/dbraw/zinc/66/58/00/479665800.db2.gz RECVBKJQPKYRRC-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COC(=O)c1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1C ZINC000612561977 479693655 /nfs/dbraw/zinc/69/36/55/479693655.db2.gz RQAQYCDBMBGHQX-UHFFFAOYSA-N 0 2 336.325 2.709 20 5 EFBDLN COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000614032338 480171725 /nfs/dbraw/zinc/17/17/25/480171725.db2.gz JMVXRNLBEZXQER-CYBMUJFWSA-N 0 2 342.351 2.596 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000610657411 480356368 /nfs/dbraw/zinc/35/63/68/480356368.db2.gz OWTFDALUURWTLH-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000610657337 480356804 /nfs/dbraw/zinc/35/68/04/480356804.db2.gz BJRCJOHFTIXXPX-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164129880 534359094 /nfs/dbraw/zinc/35/90/94/534359094.db2.gz WJPDQYWYPWFDJW-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN O=C(Nc1ccccc1N1CCCC1=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164053359 534396939 /nfs/dbraw/zinc/39/69/39/534396939.db2.gz IGYMPWOBDIHNSJ-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN CCCCOc1ncccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063821555 520922135 /nfs/dbraw/zinc/92/21/35/520922135.db2.gz ATHAYCKECBLENP-UHFFFAOYSA-N 0 2 345.355 2.804 20 5 EFBDLN CCOc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000075283869 521165303 /nfs/dbraw/zinc/16/53/03/521165303.db2.gz OSHSIBADSNZLCP-UHFFFAOYSA-N 0 2 332.312 2.717 20 5 EFBDLN COc1cc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C ZINC000157120994 522335964 /nfs/dbraw/zinc/33/59/64/522335964.db2.gz AQJKLOIWRJMMBP-UHFFFAOYSA-N 0 2 330.340 2.590 20 5 EFBDLN CCc1noc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc12 ZINC000180767386 522927681 /nfs/dbraw/zinc/92/76/81/522927681.db2.gz YKVGLOHTOPQQKO-UHFFFAOYSA-N 0 2 328.284 2.651 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000187807848 534720222 /nfs/dbraw/zinc/72/02/22/534720222.db2.gz ZOGZUYGWRJAROF-JSGCOSHPSA-N 0 2 332.356 2.664 20 5 EFBDLN CCn1ncc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000194526661 523702520 /nfs/dbraw/zinc/70/25/20/523702520.db2.gz RMULWCSDQWSJTA-UHFFFAOYSA-N 0 2 326.312 2.922 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2[nH]cnc21 ZINC000177676445 524057931 /nfs/dbraw/zinc/05/79/31/524057931.db2.gz DYGHSYJADIEDLC-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C(=O)N(C)C ZINC000081836570 525240358 /nfs/dbraw/zinc/24/03/58/525240358.db2.gz UIIIRIHMAHQOHP-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000181331776 525419604 /nfs/dbraw/zinc/41/96/04/525419604.db2.gz HWJIIYOFVZDMFO-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000075162266 525462354 /nfs/dbraw/zinc/46/23/54/525462354.db2.gz RDIASPZHPNBYKT-LBPRGKRZSA-N 0 2 330.340 2.806 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccn2)c(C(F)(F)F)c1 ZINC000162327841 534883222 /nfs/dbraw/zinc/88/32/22/534883222.db2.gz LMHWCKNUWAEGJT-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN C[C@@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180775345 526096113 /nfs/dbraw/zinc/09/61/13/526096113.db2.gz KHSARTXNTJNMEP-GTNSWQLSSA-N 0 2 330.340 2.794 20 5 EFBDLN O=C(NCCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073067697 526461453 /nfs/dbraw/zinc/46/14/53/526461453.db2.gz BNRPTRPCBVGEFE-UHFFFAOYSA-N 0 2 343.364 2.883 20 5 EFBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000126908297 526582958 /nfs/dbraw/zinc/58/29/58/526582958.db2.gz SPBCVCQLMSRPPK-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000179475199 526630030 /nfs/dbraw/zinc/63/00/30/526630030.db2.gz UTIOLFPBHJAXKM-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000181966822 526630353 /nfs/dbraw/zinc/63/03/53/526630353.db2.gz XLLAWXADQXHJMS-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN Cc1noc(Cl)c1CCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180771551 526637253 /nfs/dbraw/zinc/63/72/53/526637253.db2.gz LSPWGPSXHWHICM-UHFFFAOYSA-N 0 2 325.708 2.822 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000187066550 526715902 /nfs/dbraw/zinc/71/59/02/526715902.db2.gz KECOQQNDQXJTNA-AWEZNQCLSA-N 0 2 346.314 2.733 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000119420902 526886101 /nfs/dbraw/zinc/88/61/01/526886101.db2.gz IEIFYBKPXVNJIA-UHFFFAOYSA-N 0 2 340.382 2.796 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2ccc(F)cc2)n1 ZINC000089540855 527131440 /nfs/dbraw/zinc/13/14/40/527131440.db2.gz GFJASGRJSSBSKT-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000089541063 527131622 /nfs/dbraw/zinc/13/16/22/527131622.db2.gz AYRLVVPRQKGMHJ-LLVKDONJSA-N 0 2 345.286 2.504 20 5 EFBDLN O=C(Cc1ccc(-n2cccn2)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531597 527215711 /nfs/dbraw/zinc/21/57/11/527215711.db2.gz NEHWJNTVAJCHJH-UHFFFAOYSA-N 0 2 338.323 2.667 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000068367482 527405613 /nfs/dbraw/zinc/40/56/13/527405613.db2.gz NAUIXUKFBPISPS-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 ZINC000159937372 529016886 /nfs/dbraw/zinc/01/68/86/529016886.db2.gz UCFYRBYJSMMZGF-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000169974688 564104105 /nfs/dbraw/zinc/10/41/05/564104105.db2.gz HOZMRDCGWUNSLE-KRWDZBQOSA-N 0 2 342.351 2.686 20 5 EFBDLN O=C(COC(=O)c1cc(F)c(O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000759540074 575897153 /nfs/dbraw/zinc/89/71/53/575897153.db2.gz MHRLDKSGNSORIW-UHFFFAOYSA-N 0 2 337.234 2.618 20 5 EFBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]nc1C1CC1 ZINC000760324183 576005302 /nfs/dbraw/zinc/00/53/02/576005302.db2.gz WRLKTZISBOSSLY-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(Cl)c1O ZINC000769605506 577375016 /nfs/dbraw/zinc/37/50/16/577375016.db2.gz XTOLANIJCRVNQA-UHFFFAOYSA-N 0 2 346.730 2.760 20 5 EFBDLN Cn1cc(-c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)cn1 ZINC000770863636 581142905 /nfs/dbraw/zinc/14/29/05/581142905.db2.gz SRFYVZADWIISCQ-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN O=Cc1cn(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc12 ZINC000774081293 581482186 /nfs/dbraw/zinc/48/21/86/581482186.db2.gz JLDWECUUWVYGKY-UHFFFAOYSA-N 0 2 339.307 2.706 20 5 EFBDLN Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891768 602317101 /nfs/dbraw/zinc/31/71/01/602317101.db2.gz YXMSKCFNSXBXGY-LBPRGKRZSA-N 0 2 330.344 2.639 20 5 EFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000768867528 1255452946 /nfs/dbraw/zinc/45/29/46/1255452946.db2.gz FTOHDLIYRKDHIO-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc3ocnc32)ccc1[N+](=O)[O-] ZINC000788133625 1276049675 /nfs/dbraw/zinc/04/96/75/1276049675.db2.gz ZHVZZFGVTKFKOS-UHFFFAOYSA-N 0 2 333.325 2.845 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H](c2ccccc2)OC1=O ZINC000813498505 1285968839 /nfs/dbraw/zinc/96/88/39/1285968839.db2.gz DDUMWOZRKFZIIZ-WFASDCNBSA-N 0 2 342.307 2.543 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000814209545 1286399410 /nfs/dbraw/zinc/39/94/10/1286399410.db2.gz BUFORBYBQWNDBD-UHFFFAOYSA-N 0 2 327.387 2.656 20 5 EFBDLN C[C@](O)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000815876761 1287864132 /nfs/dbraw/zinc/86/41/32/1287864132.db2.gz NQYRPMQUIHHJQZ-OAHLLOKOSA-N 0 2 336.731 2.800 20 5 EFBDLN Cc1cc(-c2noc(-c3[nH]nc(C(F)(F)F)c3[N+](=O)[O-])n2)ccn1 ZINC001212972546 1297279624 /nfs/dbraw/zinc/27/96/24/1297279624.db2.gz CRIHXCKTCIWLBL-UHFFFAOYSA-N 0 2 340.221 2.757 20 5 EFBDLN Nc1ccc(S(=O)(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl ZINC001206157908 1313412358 /nfs/dbraw/zinc/41/23/58/1313412358.db2.gz JJTIJGSXDZILMH-UHFFFAOYSA-N 0 2 327.749 2.631 20 5 EFBDLN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1O ZINC000089531015 1300824738 /nfs/dbraw/zinc/82/47/38/1300824738.db2.gz YEUPKYOPWSZOAA-UHFFFAOYSA-N 0 2 346.299 2.649 20 5 EFBDLN CC(C)OCCONC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000795065540 1304686797 /nfs/dbraw/zinc/68/67/97/1304686797.db2.gz OLOFLKUJPQPQNV-UHFFFAOYSA-N 0 2 348.808 2.813 20 5 EFBDLN O=C([O-])[C@]1(F)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901516190 1310595141 /nfs/dbraw/zinc/59/51/41/1310595141.db2.gz ROHTVCQSUCNNGJ-LBPRGKRZSA-N 0 2 336.241 2.612 20 5 EFBDLN O=C([O-])[C@]1(F)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000901516190 1310595146 /nfs/dbraw/zinc/59/51/46/1310595146.db2.gz ROHTVCQSUCNNGJ-LBPRGKRZSA-N 0 2 336.241 2.612 20 5 EFBDLN CSc1nc(O[C@H]2CCC(=O)c3ccccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624950 1311833133 /nfs/dbraw/zinc/83/31/33/1311833133.db2.gz KSNRHPVRKVUZOS-NSHDSACASA-N 0 2 347.352 2.909 20 5 EFBDLN CC[C@@H](COc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21)OC ZINC001228685339 1311981814 /nfs/dbraw/zinc/98/18/14/1311981814.db2.gz FGLAYNKKGOQEOM-NSHDSACASA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC[C@@H]4CCCCO4)c3nc2cc1C ZINC001228687460 1311982346 /nfs/dbraw/zinc/98/23/46/1311982346.db2.gz XFFKSCCORWDBMG-LBPRGKRZSA-N 0 2 340.383 2.843 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCCCC4=O)c3nc2cc1C ZINC001228687827 1311982350 /nfs/dbraw/zinc/98/23/50/1311982350.db2.gz ZKSOZNJUKJDZCJ-AWEZNQCLSA-N 0 2 338.367 2.786 20 5 EFBDLN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@H]1COc2cnccc21 ZINC001228859697 1312010957 /nfs/dbraw/zinc/01/09/57/1312010957.db2.gz NQPUPTLPRTZGML-VIFPVBQESA-N 0 2 343.217 2.622 20 5 EFBDLN COC(=O)c1ccc([C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228969132 1312028989 /nfs/dbraw/zinc/02/89/89/1312028989.db2.gz ZJPIVIGODGYAET-VIFPVBQESA-N 0 2 333.296 2.933 20 5 EFBDLN COc1ccc2c(c1)CC[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C2 ZINC001228975056 1312030046 /nfs/dbraw/zinc/03/00/46/1312030046.db2.gz YCMNAGPVTPCNIR-CQSZACIVSA-N 0 2 331.324 2.951 20 5 EFBDLN CCCSc1nc(OC2CCSCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229797012 1312141519 /nfs/dbraw/zinc/14/15/19/1312141519.db2.gz QDJNIUYRMGBYTC-UHFFFAOYSA-N 0 2 331.419 2.867 20 5 EFBDLN COC(=O)c1c[nH]c(O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001230281608 1312215359 /nfs/dbraw/zinc/21/53/59/1312215359.db2.gz BDHFNFPVSVERHE-JTQLQIEISA-N 0 2 345.233 2.787 20 5 EFBDLN COc1ncc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)cc1C ZINC001216847295 1315014915 /nfs/dbraw/zinc/01/49/15/1315014915.db2.gz ZUIAIUUZPSXXOL-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1ccnc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c1F ZINC001216846810 1315015372 /nfs/dbraw/zinc/01/53/72/1315015372.db2.gz ADYVFGXCHCAZET-UHFFFAOYSA-N 0 2 332.247 2.560 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(F)c(O)c(F)c2)n1 ZINC001217032505 1315031709 /nfs/dbraw/zinc/03/17/09/1315031709.db2.gz MPFYSGQRXHNBPY-UHFFFAOYSA-N 0 2 338.201 2.830 20 5 EFBDLN O=[N+]([O-])c1cc(O)cc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)c1 ZINC001251389408 1315345529 /nfs/dbraw/zinc/34/55/29/1315345529.db2.gz KFKNNQFFEDMFSW-UHFFFAOYSA-N 0 2 340.339 2.680 20 5 EFBDLN COc1cc2[nH]c(-c3cc([N+](=O)[O-])c(OC)cc3[O-])[nH+]c2cc1OC ZINC001251778327 1315377701 /nfs/dbraw/zinc/37/77/01/1315377701.db2.gz CFBFGWVGLQPCKR-UHFFFAOYSA-N 0 2 345.311 2.870 20 5 EFBDLN O=C(CCc1ccc2c(c1)CCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC001319983369 1329050385 /nfs/dbraw/zinc/05/03/85/1329050385.db2.gz JRRCIJRGIJRGTA-UHFFFAOYSA-N 0 2 328.324 2.807 20 5 EFBDLN CON(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](C)c1csc(C)n1 ZINC001324558743 1329639796 /nfs/dbraw/zinc/63/97/96/1329639796.db2.gz UORITRLNLPJPGG-QMMMGPOBSA-N 0 2 337.357 2.830 20 5 EFBDLN C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001339917586 1332113942 /nfs/dbraw/zinc/11/39/42/1332113942.db2.gz VXERNXGTDZHLSP-QWRGUYRKSA-N 0 2 331.376 2.578 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2n[nH]c(C(C)C)n2)c1F ZINC001347391843 1332739836 /nfs/dbraw/zinc/73/98/36/1332739836.db2.gz OPGLDUCEVIEWFX-UHFFFAOYSA-N 0 2 325.275 2.675 20 5 EFBDLN CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(Cc2ccccc2)n1 ZINC000847254946 1333449109 /nfs/dbraw/zinc/44/91/09/1333449109.db2.gz HBSNMONGKPQDRD-UKRRQHHQSA-N 0 2 328.372 2.659 20 5 EFBDLN Cc1cc[nH+]c(N[C@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826311697 1449443414 /nfs/dbraw/zinc/44/34/14/1449443414.db2.gz LJFDKMXNFZDSQL-SNVBAGLBSA-N 0 2 325.332 2.651 20 5 EFBDLN Cc1ccc(CN(C)Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000137005913 720695540 /nfs/dbraw/zinc/69/55/40/720695540.db2.gz CDRGSNHMXBIMHF-UHFFFAOYSA-N 0 2 344.396 2.833 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000078002343 721068949 /nfs/dbraw/zinc/06/89/49/721068949.db2.gz JZLLQCDPXJIIEZ-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152996634 726368467 /nfs/dbraw/zinc/36/84/67/726368467.db2.gz OSZLOLPLWWXLMK-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])sc1C ZINC000157114675 728041915 /nfs/dbraw/zinc/04/19/15/728041915.db2.gz PWAZTSQZBQPQMD-UHFFFAOYSA-N 0 2 331.350 2.608 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Cl ZINC000069675624 729114250 /nfs/dbraw/zinc/11/42/50/729114250.db2.gz QUNHTGQZFALZOK-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN Cc1cccnc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037326206 796442561 /nfs/dbraw/zinc/44/25/61/796442561.db2.gz LUKKUHFYWYSRLO-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C([O-])[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC001574621363 962251503 /nfs/dbraw/zinc/25/15/03/962251503.db2.gz PHYXVMDGDAYYIN-CQSZACIVSA-N 0 2 340.257 2.928 20 5 EFBDLN O=C([O-])[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951991 982662552 /nfs/dbraw/zinc/66/25/52/982662552.db2.gz ZIHANNZYILRRHL-ZDUSSCGKSA-N 0 2 330.315 2.918 20 5 EFBDLN O=C([O-])[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951991 982662556 /nfs/dbraw/zinc/66/25/56/982662556.db2.gz ZIHANNZYILRRHL-ZDUSSCGKSA-N 0 2 330.315 2.918 20 5 EFBDLN CCOc1cc(C[NH2+]C(C)(C)c2nocc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC001597035275 986469784 /nfs/dbraw/zinc/46/97/84/986469784.db2.gz DSFRKQIPSQWKAL-UHFFFAOYSA-N 0 2 349.343 2.705 20 5 EFBDLN CC(C)[N@@H+]1CCCC[C@@H]1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629417 992919252 /nfs/dbraw/zinc/91/92/52/992919252.db2.gz LLJLKGPCPSGIAF-AEFFLSMTSA-N 0 2 349.431 2.747 20 5 EFBDLN CC(C)[N@H+]1CCCC[C@@H]1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629417 992919259 /nfs/dbraw/zinc/91/92/59/992919259.db2.gz LLJLKGPCPSGIAF-AEFFLSMTSA-N 0 2 349.431 2.747 20 5 EFBDLN CC(C)[N@@H+]1CCCC[C@H]1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629418 992919622 /nfs/dbraw/zinc/91/96/22/992919622.db2.gz LLJLKGPCPSGIAF-FUHWJXTLSA-N 0 2 349.431 2.747 20 5 EFBDLN CC(C)[N@H+]1CCCC[C@H]1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629418 992919630 /nfs/dbraw/zinc/91/96/30/992919630.db2.gz LLJLKGPCPSGIAF-FUHWJXTLSA-N 0 2 349.431 2.747 20 5 EFBDLN CC(C)[N@@H+]1CCCC[C@@H]1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629419 992920354 /nfs/dbraw/zinc/92/03/54/992920354.db2.gz LLJLKGPCPSGIAF-SJLPKXTDSA-N 0 2 349.431 2.747 20 5 EFBDLN CC(C)[N@H+]1CCCC[C@@H]1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629419 992920364 /nfs/dbraw/zinc/92/03/64/992920364.db2.gz LLJLKGPCPSGIAF-SJLPKXTDSA-N 0 2 349.431 2.747 20 5 EFBDLN O=C([O-])COc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1[N+](=O)[O-] ZINC001602082227 1096051312 /nfs/dbraw/zinc/05/13/12/1096051312.db2.gz LBPLMIBAJLKTGT-UHFFFAOYSA-N 0 2 348.380 2.678 20 5 EFBDLN O=C([O-])COc1ccc(C[N@H+]2CCc3ccsc3C2)cc1[N+](=O)[O-] ZINC001602082227 1096051320 /nfs/dbraw/zinc/05/13/20/1096051320.db2.gz LBPLMIBAJLKTGT-UHFFFAOYSA-N 0 2 348.380 2.678 20 5 EFBDLN O=C([O-])c1ccc2c(c1)OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001602426050 1096237806 /nfs/dbraw/zinc/23/78/06/1096237806.db2.gz NZJQIXGQIGYZME-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1ccc2c(c1)OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001602426050 1096237807 /nfs/dbraw/zinc/23/78/07/1096237807.db2.gz NZJQIXGQIGYZME-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001608660615 1097981154 /nfs/dbraw/zinc/98/11/54/1097981154.db2.gz XAGDLZOVAWZRCG-AATRIKPKSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])/C=C/c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001608660615 1097981160 /nfs/dbraw/zinc/98/11/60/1097981160.db2.gz XAGDLZOVAWZRCG-AATRIKPKSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NCCc2cn3ccccc3[nH+]2)c1 ZINC001608915186 1098070471 /nfs/dbraw/zinc/07/04/71/1098070471.db2.gz IPBWKJACNKKMNJ-UHFFFAOYSA-N 0 2 326.312 2.595 20 5 EFBDLN Cc1cc(NCCCNc2cccc[nH+]2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610475212 1098698920 /nfs/dbraw/zinc/69/89/20/1098698920.db2.gz ZDIKJRLSAMNNLG-UHFFFAOYSA-N 0 2 330.344 2.911 20 5 EFBDLN O=C([O-])c1ccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC001610826054 1098917302 /nfs/dbraw/zinc/91/73/02/1098917302.db2.gz PGTDGIFCLRCYEM-UHFFFAOYSA-N 0 2 328.324 2.556 20 5 EFBDLN Cc1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000443453653 1111111453 /nfs/dbraw/zinc/11/14/53/1111111453.db2.gz MNACLCZVJJVQCF-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1ncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)s1 ZINC000443454179 1111111755 /nfs/dbraw/zinc/11/17/55/1111111755.db2.gz MYGZXZQUJAWCRM-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000055548027 214329711 /nfs/dbraw/zinc/32/97/11/214329711.db2.gz JKOWWFSECVKQOG-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1csc(CCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000066143855 215016860 /nfs/dbraw/zinc/01/68/60/215016860.db2.gz SEVHFADSUAURCC-UHFFFAOYSA-N 0 2 335.385 2.818 20 5 EFBDLN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436963892 282490480 /nfs/dbraw/zinc/49/04/80/282490480.db2.gz DXJVMFGFQXDOPR-HUUCEWRRSA-N 0 2 336.388 2.966 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(cc1F)NC(=O)CC2 ZINC000092546191 303999290 /nfs/dbraw/zinc/99/92/90/303999290.db2.gz KJMSQLIJKJQZRF-UHFFFAOYSA-N 0 2 345.286 2.577 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC2CCCC2)CC1 ZINC000179467605 233065415 /nfs/dbraw/zinc/06/54/15/233065415.db2.gz GBUKKEMRKNFYAN-UHFFFAOYSA-N 0 2 334.372 2.864 20 5 EFBDLN O=C(Nc1nc2c(s1)CSCC2)c1ccc([N+](=O)[O-])cc1O ZINC000367644846 304015733 /nfs/dbraw/zinc/01/57/33/304015733.db2.gz OERSZWHRHUMVQK-UHFFFAOYSA-N 0 2 337.382 2.799 20 5 EFBDLN O=C(N[C@@H]1COc2cccc(Cl)c21)c1ccc([N+](=O)[O-])cc1O ZINC000436924611 303899228 /nfs/dbraw/zinc/89/92/28/303899228.db2.gz CZQNRPCYYXQCEZ-LLVKDONJSA-N 0 2 334.715 2.817 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191798632 239304946 /nfs/dbraw/zinc/30/49/46/239304946.db2.gz UVOMFQYZOHTKIR-UHFFFAOYSA-N 0 2 339.373 2.871 20 5 EFBDLN CCOCc1ccccc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194745533 240173449 /nfs/dbraw/zinc/17/34/49/240173449.db2.gz KRJHCCVPWPLRAA-UHFFFAOYSA-N 0 2 330.340 2.767 20 5 EFBDLN O=C(NCCc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O ZINC000194738029 240174350 /nfs/dbraw/zinc/17/43/50/240174350.db2.gz HQHGOPFBHMAHJQ-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN COc1ccc2c(c1)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)CC2 ZINC000431913758 247952884 /nfs/dbraw/zinc/95/28/84/247952884.db2.gz OGWRFZIBSBUHSO-CYBMUJFWSA-N 0 2 328.324 2.978 20 5 EFBDLN CCn1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C ZINC000266054866 248065411 /nfs/dbraw/zinc/06/54/11/248065411.db2.gz HGCAXNPUDWHTPS-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000266545140 248353291 /nfs/dbraw/zinc/35/32/91/248353291.db2.gz HJPKKFRCTNWGBX-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000092546186 218149249 /nfs/dbraw/zinc/14/92/49/218149249.db2.gz KMTXEMMVXRFWJM-NEPJUHHUSA-N 0 2 349.387 2.524 20 5 EFBDLN O=C(CCc1nc(C2CCCC2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545957 218149546 /nfs/dbraw/zinc/14/95/46/218149546.db2.gz WOHCOWOWYKGQDP-UHFFFAOYSA-N 0 2 346.343 2.912 20 5 EFBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1CC(C)C ZINC000442250791 250074009 /nfs/dbraw/zinc/07/40/09/250074009.db2.gz MATCLPMEOUVCQK-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(Oc2ccccc2F)CC1 ZINC000442563848 250087740 /nfs/dbraw/zinc/08/77/40/250087740.db2.gz CBHYCPNOJNGSPU-UHFFFAOYSA-N 0 2 332.287 2.990 20 5 EFBDLN O=C(NCCc1ccc2[nH]ccc2c1)c1cc([N+](=O)[O-])ccc1O ZINC000442997235 250149297 /nfs/dbraw/zinc/14/92/97/250149297.db2.gz XGOGPHPQLIZKIB-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000119100901 221244075 /nfs/dbraw/zinc/24/40/75/221244075.db2.gz ROSZHWRQLLHDCT-UHFFFAOYSA-N 0 2 344.418 2.717 20 5 EFBDLN Cc1cc(N2CC[C@@](C)(C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263446994 141395355 /nfs/dbraw/zinc/39/53/55/141395355.db2.gz ZAJAJZCZTDZVCU-QGZVFWFLSA-N 0 2 342.355 2.661 20 5 EFBDLN O=C([O-])c1cccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000263456335 141395847 /nfs/dbraw/zinc/39/58/47/141395847.db2.gz AUVRGBHVSVQYGX-UHFFFAOYSA-N 0 2 343.339 2.736 20 5 EFBDLN COc1cccc(CO[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340547223 141812746 /nfs/dbraw/zinc/81/27/46/141812746.db2.gz YYSVUWGVDIHMOY-LLVKDONJSA-N 0 2 346.339 2.853 20 5 EFBDLN Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnn1CC(C)C ZINC000346471017 142209028 /nfs/dbraw/zinc/20/90/28/142209028.db2.gz FHHHOVAYRYEURM-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc2[nH]ncc21 ZINC000346477264 142209764 /nfs/dbraw/zinc/20/97/64/142209764.db2.gz JZDWFWULMQMYBV-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000342276475 145092211 /nfs/dbraw/zinc/09/22/11/145092211.db2.gz BYDNAIMARLBOPW-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN C[C@H](COc1cccc(F)c1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000342276477 145092214 /nfs/dbraw/zinc/09/22/14/145092214.db2.gz BYDNAIMARLBOPW-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN Cc1c(NS(=O)(=O)c2cncc(Cl)c2)cccc1[N+](=O)[O-] ZINC000342429450 145124256 /nfs/dbraw/zinc/12/42/56/145124256.db2.gz KSSCGICBBBTTPS-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CSc1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000342644719 145164757 /nfs/dbraw/zinc/16/47/57/145164757.db2.gz FGYIOODGCGATNO-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN CSc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000342657433 145167024 /nfs/dbraw/zinc/16/70/24/145167024.db2.gz LQMWTDAWMULZQB-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000342785361 145192463 /nfs/dbraw/zinc/19/24/63/145192463.db2.gz URGZFQADXTYSIT-SNVBAGLBSA-N 0 2 338.389 2.872 20 5 EFBDLN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Cl)c1O ZINC000355662480 147028255 /nfs/dbraw/zinc/02/82/55/147028255.db2.gz IFGUNTUBEWDRKH-UHFFFAOYSA-N 0 2 345.142 2.833 20 5 EFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000355838400 147078978 /nfs/dbraw/zinc/07/89/78/147078978.db2.gz GTRKWEYRCVWAQD-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN Cc1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cccc1[N+](=O)[O-] ZINC000355997135 147119088 /nfs/dbraw/zinc/11/90/88/147119088.db2.gz JKMJIWHCFLETQI-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN Cc1ccc([C@H](C)[C@H](O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356326378 147212714 /nfs/dbraw/zinc/21/27/14/147212714.db2.gz YUDSGCKLPFLJGO-ZBEGNZNMSA-N 0 2 330.340 2.712 20 5 EFBDLN Cc1ccc([C@@H](C)[C@H](O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356326371 147212823 /nfs/dbraw/zinc/21/28/23/147212823.db2.gz YUDSGCKLPFLJGO-BZNIZROVSA-N 0 2 330.340 2.712 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000358791563 147900602 /nfs/dbraw/zinc/90/06/02/147900602.db2.gz PRZOYASLNZFPBI-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)ccc1[N+](=O)[O-] ZINC000359471311 148094779 /nfs/dbraw/zinc/09/47/79/148094779.db2.gz YFMBENNLJLBZTG-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000364375646 149138964 /nfs/dbraw/zinc/13/89/64/149138964.db2.gz BGBKTXHFWBGELE-UHFFFAOYSA-N 0 2 348.305 2.893 20 5 EFBDLN COCCc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000191888756 265281092 /nfs/dbraw/zinc/28/10/92/265281092.db2.gz IQPRCTMNDCEAKV-UHFFFAOYSA-N 0 2 336.369 2.585 20 5 EFBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194190865 265365751 /nfs/dbraw/zinc/36/57/51/265365751.db2.gz RJPHLOQCCAGUIK-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])oc1C ZINC000272106193 266155220 /nfs/dbraw/zinc/15/52/20/266155220.db2.gz IBLLCIWXNHCGBS-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272373736 266246600 /nfs/dbraw/zinc/24/66/00/266246600.db2.gz HQNMFBNLASEMTE-GFCCVEGCSA-N 0 2 334.372 2.912 20 5 EFBDLN Cc1nc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3O)CCCCC2)no1 ZINC000271237415 273102818 /nfs/dbraw/zinc/10/28/18/273102818.db2.gz CTGWOZQAKJOHOP-UHFFFAOYSA-N 0 2 346.343 2.581 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](COc2ccccc2)C1 ZINC000274959249 273135583 /nfs/dbraw/zinc/13/55/83/273135583.db2.gz TYRKRVXZRGPXDG-CYBMUJFWSA-N 0 2 342.351 2.842 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000279819908 273257032 /nfs/dbraw/zinc/25/70/32/273257032.db2.gz CLOPJUXDOKCFPQ-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000279919148 273269162 /nfs/dbraw/zinc/26/91/62/273269162.db2.gz UBAALIKUJKVTMT-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000279931091 273270880 /nfs/dbraw/zinc/27/08/80/273270880.db2.gz WAQDVAREHCVQKL-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN CC(C)n1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000436940187 280790624 /nfs/dbraw/zinc/79/06/24/280790624.db2.gz USSAWFANXOQWSS-UHFFFAOYSA-N 0 2 330.344 2.819 20 5 EFBDLN CC(C)n1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066248403 292688239 /nfs/dbraw/zinc/68/82/39/292688239.db2.gz BGTMZTLVNQXUGU-UHFFFAOYSA-N 0 2 344.780 2.826 20 5 EFBDLN CN1CCCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccc(F)cc21 ZINC000373268924 289934749 /nfs/dbraw/zinc/93/47/49/289934749.db2.gz YEUVJVVTACGDHW-UHFFFAOYSA-N 0 2 345.330 2.926 20 5 EFBDLN Cc1cc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])nn1C1CCCCC1 ZINC000290722077 294166905 /nfs/dbraw/zinc/16/69/05/294166905.db2.gz POQHPCGNSQAPCJ-UHFFFAOYSA-N 0 2 344.375 2.842 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)ccc1[N+](=O)[O-] ZINC000290920157 294220847 /nfs/dbraw/zinc/22/08/47/294220847.db2.gz ICAZVEXXFADBAS-UHFFFAOYSA-N 0 2 333.369 2.976 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)ccn1 ZINC000291008465 294245422 /nfs/dbraw/zinc/24/54/22/294245422.db2.gz WAMXPDFABUNIPE-UHFFFAOYSA-N 0 2 333.369 2.976 20 5 EFBDLN COCCCCc1cccnc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000291278899 294333728 /nfs/dbraw/zinc/33/37/28/294333728.db2.gz OKXJJABNZKTTGH-UHFFFAOYSA-N 0 2 345.355 2.917 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000292660601 294750814 /nfs/dbraw/zinc/75/08/14/294750814.db2.gz LLWJKBCJCVNQAB-CQSZACIVSA-N 0 2 346.339 2.715 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295239605 295286592 /nfs/dbraw/zinc/28/65/92/295286592.db2.gz UUWKIENLUUBALE-ZDUSSCGKSA-N 0 2 348.380 2.900 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@H]1c1ccccc1 ZINC000378054512 304530566 /nfs/dbraw/zinc/53/05/66/304530566.db2.gz WXZJTZGXIYAVTL-HNNXBMFYSA-N 0 2 328.324 2.514 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000187569887 304534575 /nfs/dbraw/zinc/53/45/75/304534575.db2.gz APANNLQCGHCSNY-GOSISDBHSA-N 0 2 340.335 2.572 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccc(F)cc2O1 ZINC000187208973 300194850 /nfs/dbraw/zinc/19/48/50/300194850.db2.gz JAPKLAYVYWEJMD-VIFPVBQESA-N 0 2 332.287 2.867 20 5 EFBDLN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137042750 300226970 /nfs/dbraw/zinc/22/69/70/300226970.db2.gz SRZKRCADUYYTFN-LBPRGKRZSA-N 0 2 341.367 2.781 20 5 EFBDLN C[C@H]1COc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000371733884 300369955 /nfs/dbraw/zinc/36/99/55/300369955.db2.gz MJBSRLRSIDLFOR-NSHDSACASA-N 0 2 328.324 2.724 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc3[nH]c[nH+]c32)cc1C ZINC000177676008 301427252 /nfs/dbraw/zinc/42/72/52/301427252.db2.gz PDXAEFHYTQCAIK-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000151000856 302026451 /nfs/dbraw/zinc/02/64/51/302026451.db2.gz LGHVAEJISNXCDV-AWEZNQCLSA-N 0 2 327.340 2.981 20 5 EFBDLN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1-c1ccccc1 ZINC000346467131 303052061 /nfs/dbraw/zinc/05/20/61/303052061.db2.gz JNFWIIAQKRPYBJ-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436514924 303842264 /nfs/dbraw/zinc/84/22/64/303842264.db2.gz SKAPRHOUUIMKFZ-ZYHUDNBSSA-N 0 2 330.287 2.581 20 5 EFBDLN O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1O ZINC000436891336 303898858 /nfs/dbraw/zinc/89/88/58/303898858.db2.gz XDICQSLMFLDSBT-GFCCVEGCSA-N 0 2 334.715 2.817 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000135608312 310657773 /nfs/dbraw/zinc/65/77/73/310657773.db2.gz KMQDTNJGEYJBAI-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN O=[N+]([O-])c1cc(Cn2nccc2-c2cccnc2)c2c(c1)COCO2 ZINC000171372995 310747163 /nfs/dbraw/zinc/74/71/63/310747163.db2.gz VAGJDZBCJJYEKT-UHFFFAOYSA-N 0 2 338.323 2.768 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)noc1C ZINC000299513393 311092370 /nfs/dbraw/zinc/09/23/70/311092370.db2.gz NGQRQHZYDBJVJR-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CCOc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OC ZINC000436970912 312604475 /nfs/dbraw/zinc/60/44/75/312604475.db2.gz GLJHALCFGJAEAS-UHFFFAOYSA-N 0 2 346.339 2.638 20 5 EFBDLN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000437001205 312608555 /nfs/dbraw/zinc/60/85/55/312608555.db2.gz ODJCBRWOMKLRQH-ZWNOBZJWSA-N 0 2 334.278 2.865 20 5 EFBDLN O=C(N[C@H]1CCCc2c(O)cccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436999324 312608669 /nfs/dbraw/zinc/60/86/69/312608669.db2.gz QXJANYWYZDHUDC-AWEZNQCLSA-N 0 2 328.324 2.813 20 5 EFBDLN COc1ccc(/C=C\C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1O ZINC000492744474 314108258 /nfs/dbraw/zinc/10/82/58/314108258.db2.gz ZNOUWEVDODUSAW-CLTKARDFSA-N 0 2 330.296 2.667 20 5 EFBDLN O=C(Nc1ccccc1N1CCOC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000495050347 314662790 /nfs/dbraw/zinc/66/27/90/314662790.db2.gz SIRMSRRWQXKDMB-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1[nH]cc[nH+]1 ZINC000516572749 315687045 /nfs/dbraw/zinc/68/70/45/315687045.db2.gz MNQVOINKYUHVBJ-LLVKDONJSA-N 0 2 338.751 2.804 20 5 EFBDLN COCCN1C(=O)c2ccccc2N[C@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000522705180 316097835 /nfs/dbraw/zinc/09/78/35/316097835.db2.gz VXIGZIYLNGNCFT-MRXNPFEDSA-N 0 2 343.339 2.513 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1noc(C(C)C)n1 ZINC000537594134 317675136 /nfs/dbraw/zinc/67/51/36/317675136.db2.gz VFGBYXKKHUEMPG-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H]2CCCN2c2ccccc21 ZINC000547792774 318042331 /nfs/dbraw/zinc/04/23/31/318042331.db2.gz WXJPVTYSBFWLRS-CYBMUJFWSA-N 0 2 339.351 2.930 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2cc[nH]c21 ZINC000547822216 318045987 /nfs/dbraw/zinc/04/59/87/318045987.db2.gz DOGXQIGAIOZEEZ-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN COc1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)ccc1[N+](=O)[O-] ZINC000548150503 318078868 /nfs/dbraw/zinc/07/88/68/318078868.db2.gz HSKCQKOAXAMHDT-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN COc1ccc2c(c1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000548517305 318116561 /nfs/dbraw/zinc/11/65/61/318116561.db2.gz IRKKGBUDVLPTHS-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN O=C([O-])c1cc(NCCc2[nH]c3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000551976892 318232326 /nfs/dbraw/zinc/23/23/26/318232326.db2.gz WIYPUKDIESRULZ-UHFFFAOYSA-N 0 2 326.312 2.824 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2ccncc2)C1 ZINC000552225604 318249381 /nfs/dbraw/zinc/24/93/81/318249381.db2.gz JSNIDRJOJNAONK-AWEZNQCLSA-N 0 2 327.340 2.715 20 5 EFBDLN C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2[nH+]ccn21 ZINC000567590755 319186075 /nfs/dbraw/zinc/18/60/75/319186075.db2.gz BBUMGQXHXBWHAF-XCBNKYQSSA-N 0 2 336.735 2.586 20 5 EFBDLN C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2[nH+]ccn21 ZINC000567590753 319186088 /nfs/dbraw/zinc/18/60/88/319186088.db2.gz BBUMGQXHXBWHAF-GMSGAONNSA-N 0 2 336.735 2.586 20 5 EFBDLN CN(Cc1ccc([N+](=O)[O-])cc1)Cc1nc(=O)c2sccc2[nH]1 ZINC000195222210 323522847 /nfs/dbraw/zinc/52/28/47/323522847.db2.gz SAOWEEWZSSQSOI-UHFFFAOYSA-N 0 2 330.369 2.525 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000579978969 324073661 /nfs/dbraw/zinc/07/36/61/324073661.db2.gz LMSPHOVDWHLKJI-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN C[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000581074352 324300203 /nfs/dbraw/zinc/30/02/03/324300203.db2.gz MOZPXSOYNHNMBV-IAQYHMDHSA-N 0 2 330.344 2.577 20 5 EFBDLN CC(C)(C)c1coc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000581310703 324349067 /nfs/dbraw/zinc/34/90/67/324349067.db2.gz LWZLASMSXPYYNZ-UHFFFAOYSA-N 0 2 325.346 2.681 20 5 EFBDLN O=C([O-])c1cnc(Nc2ccc(N3CCCCC3)[nH+]c2)c([N+](=O)[O-])c1 ZINC000582728029 324658116 /nfs/dbraw/zinc/65/81/16/324658116.db2.gz USFXXBXHJHRHNA-UHFFFAOYSA-N 0 2 343.343 2.817 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)cs1 ZINC000066246978 462866057 /nfs/dbraw/zinc/86/60/57/462866057.db2.gz NQSGLVNZTLBLBX-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184864718 473257694 /nfs/dbraw/zinc/25/76/94/473257694.db2.gz OUTGFNPHGVYXIE-NSHDSACASA-N 0 2 328.324 2.692 20 5 EFBDLN C[C@@H](O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184868028 473259213 /nfs/dbraw/zinc/25/92/13/473259213.db2.gz TWESWYRGOQXUDR-OCCSQVGLSA-N 0 2 344.367 2.585 20 5 EFBDLN C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184887299 473264093 /nfs/dbraw/zinc/26/40/93/473264093.db2.gz OPBZRTCGPLQCEK-VIFPVBQESA-N 0 2 334.353 2.753 20 5 EFBDLN C[C@H](CCc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184948106 473281372 /nfs/dbraw/zinc/28/13/72/473281372.db2.gz BOAVPFYXYBEWLR-LLVKDONJSA-N 0 2 330.340 2.757 20 5 EFBDLN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171092524 473281552 /nfs/dbraw/zinc/28/15/52/473281552.db2.gz ZBRURRKLCPXZNE-IRXDYDNUSA-N 0 2 342.351 2.951 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3n[nH]cc32)c1C ZINC000162171368 473312908 /nfs/dbraw/zinc/31/29/08/473312908.db2.gz ADVUQBCBDMUYKI-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccncc2)c(C(F)(F)F)c1 ZINC000162324319 473328041 /nfs/dbraw/zinc/32/80/41/473328041.db2.gz NNAYSNLGUTWVPJ-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC000185116139 473334290 /nfs/dbraw/zinc/33/42/90/473334290.db2.gz FXTQIPWKGIFSNZ-UHFFFAOYSA-N 0 2 330.340 2.890 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](c2ccsc2)O1 ZINC000150868482 473370825 /nfs/dbraw/zinc/37/08/25/473370825.db2.gz WIHOTYRXFLBTMZ-ZUZCIYMTSA-N 0 2 348.380 2.964 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000083956133 473376903 /nfs/dbraw/zinc/37/69/03/473376903.db2.gz VNQLPNPVGOKVEV-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN COc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000150909921 473378698 /nfs/dbraw/zinc/37/86/98/473378698.db2.gz OCWKUCCGQHPROY-CYBMUJFWSA-N 0 2 328.324 2.726 20 5 EFBDLN O=C(Nc1ccccc1N1CCOC1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000494676660 478042004 /nfs/dbraw/zinc/04/20/04/478042004.db2.gz JZDGCUFLBFHCTK-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN O=C(c1cnn(-c2ccccc2[N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000005752646 471519983 /nfs/dbraw/zinc/51/99/83/471519983.db2.gz OQHDLFUPLWBERA-UHFFFAOYSA-N 0 2 327.271 2.856 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1 ZINC000007052300 471587561 /nfs/dbraw/zinc/58/75/61/471587561.db2.gz PSXJSJYJWJBRFV-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1c(NS(=O)(=O)c2cc(F)ccc2F)cccc1[N+](=O)[O-] ZINC000014253970 471866551 /nfs/dbraw/zinc/86/65/51/471866551.db2.gz YCENFNZNCQYCBN-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000016099614 471925565 /nfs/dbraw/zinc/92/55/65/471925565.db2.gz APNDXOMTIOJKGC-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000020368497 471989957 /nfs/dbraw/zinc/98/99/57/471989957.db2.gz JNOMJPYIYGOPLJ-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN O=C(NCCCCOc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000035336366 471996770 /nfs/dbraw/zinc/99/67/70/471996770.db2.gz XSEZYHKCFHXPLS-UHFFFAOYSA-N 0 2 330.340 2.889 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000024425383 472054008 /nfs/dbraw/zinc/05/40/08/472054008.db2.gz KKAUAZBLRXLGSP-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000068077186 472131431 /nfs/dbraw/zinc/13/14/31/472131431.db2.gz TTYQSRKDQDWNRX-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c[nH]nc2c1 ZINC000055556241 472202855 /nfs/dbraw/zinc/20/28/55/472202855.db2.gz XYWKWAMURQEQEE-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2C)cc1 ZINC000076396446 472338922 /nfs/dbraw/zinc/33/89/22/472338922.db2.gz PDHSTWWXHMWNOG-VXGBXAGGSA-N 0 2 333.369 2.731 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1O ZINC000089102699 472388245 /nfs/dbraw/zinc/38/82/45/472388245.db2.gz KZYWGBJOOIAWHA-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN COc1ccc(C(=O)CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000096764541 472397214 /nfs/dbraw/zinc/39/72/14/472397214.db2.gz GIHYTQYMJUYSTD-UHFFFAOYSA-N 0 2 344.323 2.911 20 5 EFBDLN CCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]c(C)c1C(C)=O ZINC000089530991 472456915 /nfs/dbraw/zinc/45/69/15/472456915.db2.gz SVOHLJIICFOPPQ-UHFFFAOYSA-N 0 2 331.328 2.954 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-n2cccn2)c1 ZINC000045774190 472460628 /nfs/dbraw/zinc/46/06/28/472460628.db2.gz JTHLTMRPXZSZRE-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000097161871 472469870 /nfs/dbraw/zinc/46/98/70/472469870.db2.gz SKSHEVCYPVAEJO-UHFFFAOYSA-N 0 2 348.359 2.664 20 5 EFBDLN Cc1cccc([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000097163933 472470701 /nfs/dbraw/zinc/47/07/01/472470701.db2.gz BFSOZPBIRPRMJQ-HNNXBMFYSA-N 0 2 327.340 2.981 20 5 EFBDLN COC(=O)c1ccc2c(c1)nc(-c1ccc(O)c([N+](=O)[O-])c1)n2C ZINC000154965409 472491540 /nfs/dbraw/zinc/49/15/40/472491540.db2.gz VWWYKWJUXZTWHK-UHFFFAOYSA-N 0 2 327.296 2.641 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)cc(F)c1 ZINC000155003288 472495980 /nfs/dbraw/zinc/49/59/80/472495980.db2.gz ZIGKQCXDHZRGTI-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000155121468 472510669 /nfs/dbraw/zinc/51/06/69/472510669.db2.gz JOUZQWMANDUCOC-UHFFFAOYSA-N 0 2 345.286 2.577 20 5 EFBDLN CCc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cnn1CC(C)C ZINC000119378475 472552118 /nfs/dbraw/zinc/55/21/18/472552118.db2.gz OXYJECMHUFLTHP-UHFFFAOYSA-N 0 2 332.360 2.968 20 5 EFBDLN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000078762302 472765664 /nfs/dbraw/zinc/76/56/64/472765664.db2.gz LHCKLCVZINILND-OAHLLOKOSA-N 0 2 333.388 2.844 20 5 EFBDLN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000078762308 472766242 /nfs/dbraw/zinc/76/62/42/472766242.db2.gz LHCKLCVZINILND-HNNXBMFYSA-N 0 2 333.388 2.844 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2n[nH]cc21 ZINC000063635493 472796434 /nfs/dbraw/zinc/79/64/34/472796434.db2.gz KCCVEQFHNHMJFE-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(N[C@H](CCCO)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000158231830 472911646 /nfs/dbraw/zinc/91/16/46/472911646.db2.gz WUIFVBDWQXSSBQ-OAHLLOKOSA-N 0 2 330.340 2.544 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1=Cc2cc(F)ccc2OC1 ZINC000092549124 472933687 /nfs/dbraw/zinc/93/36/87/472933687.db2.gz SGTJHWIMEVCRRQ-UHFFFAOYSA-N 0 2 330.271 2.854 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000158547035 472945844 /nfs/dbraw/zinc/94/58/44/472945844.db2.gz QJOUZKDXEHBZRH-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158590932 472951095 /nfs/dbraw/zinc/95/10/95/472951095.db2.gz CILPAZPSGOCGKQ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COCc1ccccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158623171 472953053 /nfs/dbraw/zinc/95/30/53/472953053.db2.gz BCMWMXCJWHVZAH-UHFFFAOYSA-N 0 2 336.369 2.850 20 5 EFBDLN O=C(Nc1cccc(OCC(F)F)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000135257180 473044813 /nfs/dbraw/zinc/04/48/13/473044813.db2.gz VMOUUZUYYPWWFI-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]n1 ZINC000159964576 473076472 /nfs/dbraw/zinc/07/64/72/473076472.db2.gz UFGLYESIISLIII-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1N(C)C ZINC000109424371 473100033 /nfs/dbraw/zinc/10/00/33/473100033.db2.gz RKFVIDDPXHCAFN-UHFFFAOYSA-N 0 2 335.385 2.770 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000066585393 473119088 /nfs/dbraw/zinc/11/90/88/473119088.db2.gz HWGQQKYKXJNNJK-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccs1 ZINC000093930800 473164723 /nfs/dbraw/zinc/16/47/23/473164723.db2.gz UBJOPXGZFURFRX-UHFFFAOYSA-N 0 2 328.371 2.604 20 5 EFBDLN CCO[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000075357281 473174372 /nfs/dbraw/zinc/17/43/72/473174372.db2.gz AADLUYZAITVYBF-LSDHHAIUSA-N 0 2 334.372 2.768 20 5 EFBDLN Cc1cc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)o1 ZINC000123767984 473184007 /nfs/dbraw/zinc/18/40/07/473184007.db2.gz IFMXKJRFIXYMAS-SECBINFHSA-N 0 2 342.348 2.983 20 5 EFBDLN O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)c1ccc(O)c(F)c1 ZINC000613559536 480037282 /nfs/dbraw/zinc/03/72/82/480037282.db2.gz XDPQKGBIEBUDOL-UHFFFAOYSA-N 0 2 342.286 2.504 20 5 EFBDLN COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000185684431 473487277 /nfs/dbraw/zinc/48/72/77/473487277.db2.gz DDCXFBLXUUJWLI-UHFFFAOYSA-N 0 2 345.355 2.593 20 5 EFBDLN CC(C)CCn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000164568850 473493016 /nfs/dbraw/zinc/49/30/16/473493016.db2.gz HEXYXQPMILXCKJ-UHFFFAOYSA-N 0 2 338.389 2.638 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1C ZINC000126167511 473494800 /nfs/dbraw/zinc/49/48/00/473494800.db2.gz SVKKYUZGOXCJIT-UHFFFAOYSA-N 0 2 338.389 2.859 20 5 EFBDLN CSc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000165243190 473508923 /nfs/dbraw/zinc/50/89/23/473508923.db2.gz DZTYRYZWIBZZGP-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN O=C(Nc1ccc(-c2ncon2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185765402 473508945 /nfs/dbraw/zinc/50/89/45/473508945.db2.gz HOARYACLPRZQRP-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN O=C(Nc1ncccc1OC(F)F)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185795320 473516999 /nfs/dbraw/zinc/51/69/99/473516999.db2.gz UAVKSTLXPBXIAC-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc3[nH]c[nH+]c32)c1C ZINC000152278750 473544240 /nfs/dbraw/zinc/54/42/40/473544240.db2.gz VMJOAJRCRMKELK-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 ZINC000179426808 473686651 /nfs/dbraw/zinc/68/66/51/473686651.db2.gz OQSAGNFMNGAUTQ-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN O=C(NCCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000179548662 473694225 /nfs/dbraw/zinc/69/42/25/473694225.db2.gz NAKSGELGAACFOC-UHFFFAOYSA-N 0 2 347.396 2.608 20 5 EFBDLN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186590474 473695298 /nfs/dbraw/zinc/69/52/98/473695298.db2.gz NNMPWRCLHVLFBH-XMMPIXPASA-N 0 2 348.380 2.740 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000172904625 473700196 /nfs/dbraw/zinc/70/01/96/473700196.db2.gz TVERQBCBBAYCNW-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cc(N(C)C[C@@H](C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263555889 473774812 /nfs/dbraw/zinc/77/48/12/473774812.db2.gz OGJSKSPACUAFDE-SNVBAGLBSA-N 0 2 330.344 2.517 20 5 EFBDLN COCCN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274683318 473920238 /nfs/dbraw/zinc/92/02/38/473920238.db2.gz IZJIMMFEDYZYPH-UHFFFAOYSA-N 0 2 344.367 2.632 20 5 EFBDLN O=C(N[C@H]1CCOc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000181998652 474077556 /nfs/dbraw/zinc/07/75/56/474077556.db2.gz WSZUMTPKPNRDNJ-ZDUSSCGKSA-N 0 2 332.287 2.693 20 5 EFBDLN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182129843 474105056 /nfs/dbraw/zinc/10/50/56/474105056.db2.gz PSNRQRAYZNOWJY-NSHDSACASA-N 0 2 330.340 2.757 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1[N+](=O)[O-] ZINC000189285915 474347542 /nfs/dbraw/zinc/34/75/42/474347542.db2.gz XESYIKHPMJTWGU-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN CC(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000183443592 474381201 /nfs/dbraw/zinc/38/12/01/474381201.db2.gz MPOMCQQPEIKZHP-UHFFFAOYSA-N 0 2 343.339 2.691 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2n1C ZINC000184798979 474610013 /nfs/dbraw/zinc/61/00/13/474610013.db2.gz LBRQWSJVKHNNSB-JTQLQIEISA-N 0 2 340.339 2.678 20 5 EFBDLN Cc1nnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)o1 ZINC000184821388 474614863 /nfs/dbraw/zinc/61/48/63/474614863.db2.gz UNLIUQHZNAZBQE-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](COc2ccccc2)C1 ZINC000273030289 474681372 /nfs/dbraw/zinc/68/13/72/474681372.db2.gz SVHXAYXENIJYDS-CYBMUJFWSA-N 0 2 342.351 2.842 20 5 EFBDLN COc1ccccc1OCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609202793 480126538 /nfs/dbraw/zinc/12/65/38/480126538.db2.gz VROGDWYIKZISNP-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273362028 474860510 /nfs/dbraw/zinc/86/05/10/474860510.db2.gz OQHNHLASDSGGGG-UHFFFAOYSA-N 0 2 339.348 2.542 20 5 EFBDLN O=C(NCc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000613903495 480143407 /nfs/dbraw/zinc/14/34/07/480143407.db2.gz QZSVGUQUMSXXRW-UHFFFAOYSA-N 0 2 341.367 2.831 20 5 EFBDLN O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337589062 475160735 /nfs/dbraw/zinc/16/07/35/475160735.db2.gz BJVDVMSJIQJJEX-BXKDBHETSA-N 0 2 330.287 2.581 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCO[C@H](c2ccccc2)C1 ZINC000613936652 480150994 /nfs/dbraw/zinc/15/09/94/480150994.db2.gz LLWRRGXDYVTREU-KRWDZBQOSA-N 0 2 342.351 2.904 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc([S@@](C)=O)cc1 ZINC000339762230 475477788 /nfs/dbraw/zinc/47/77/88/475477788.db2.gz TXDGZFFJRKWDSI-VKTRGTBVSA-N 0 2 348.380 2.529 20 5 EFBDLN CCOc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OC ZINC000339909289 475607287 /nfs/dbraw/zinc/60/72/87/475607287.db2.gz UEAPSOJPDGEGCA-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1C ZINC000361772771 475739960 /nfs/dbraw/zinc/73/99/60/475739960.db2.gz PZUAETAFKDGAAB-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000343429114 476056416 /nfs/dbraw/zinc/05/64/16/476056416.db2.gz FOHLVQDWDBUNQI-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN COCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000340548734 476100936 /nfs/dbraw/zinc/10/09/36/476100936.db2.gz DYJYYLCZPMQZST-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN COC(=O)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000340549964 476101488 /nfs/dbraw/zinc/10/14/88/476101488.db2.gz PEMUGIJKEOZGJK-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN COCCOc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000340552312 476101921 /nfs/dbraw/zinc/10/19/21/476101921.db2.gz ZJUHYRMLIKSSNX-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN Cc1ccsc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336849393 476140986 /nfs/dbraw/zinc/14/09/86/476140986.db2.gz RKMLPUHZMKNCGT-UHFFFAOYSA-N 0 2 330.362 2.582 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2nccnc2cc1F ZINC000350667463 476286834 /nfs/dbraw/zinc/28/68/34/476286834.db2.gz CBLUTZSLJVRGNK-UHFFFAOYSA-N 0 2 328.259 2.635 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000350671933 476288244 /nfs/dbraw/zinc/28/82/44/476288244.db2.gz ZWKNOMZPWBGPIB-UHFFFAOYSA-N 0 2 338.389 2.626 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1F ZINC000357535553 476437582 /nfs/dbraw/zinc/43/75/82/476437582.db2.gz FKYDUOZCWJASJS-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1cccc(N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000354174991 476480501 /nfs/dbraw/zinc/48/05/01/476480501.db2.gz SFVCINOPNVBDKV-UHFFFAOYSA-N 0 2 346.368 2.950 20 5 EFBDLN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357607366 476485446 /nfs/dbraw/zinc/48/54/46/476485446.db2.gz VDYRSLLPYAHSBT-CQSZACIVSA-N 0 2 344.323 2.720 20 5 EFBDLN CC(C)n1ncc2c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000364028651 476508623 /nfs/dbraw/zinc/50/86/23/476508623.db2.gz KOFWZXBZMLHFJK-ZDUSSCGKSA-N 0 2 344.371 2.885 20 5 EFBDLN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000357673390 476529425 /nfs/dbraw/zinc/52/94/25/476529425.db2.gz VKTWIRMCEWIIGZ-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@@H]1c1ccccc1 ZINC000364980952 476553953 /nfs/dbraw/zinc/55/39/53/476553953.db2.gz MKOUJJXDLNQJIK-OAHLLOKOSA-N 0 2 328.324 2.514 20 5 EFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000377814265 476594763 /nfs/dbraw/zinc/59/47/63/476594763.db2.gz MTOQBSUTPJIRNV-HZMBPMFUSA-N 0 2 328.324 2.595 20 5 EFBDLN CC(C)(C(=O)Nc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])cc1F ZINC000357866614 476659273 /nfs/dbraw/zinc/65/92/73/476659273.db2.gz MJZHHESOIBIACY-UHFFFAOYSA-N 0 2 343.318 2.922 20 5 EFBDLN Cc1cc(N(C)CCCC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000416422540 477170008 /nfs/dbraw/zinc/17/00/08/477170008.db2.gz MOLOOYKBQUQENE-UHFFFAOYSA-N 0 2 330.344 2.661 20 5 EFBDLN O=C(Nc1cc(-c2cccc(F)c2)on1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000448544441 477187897 /nfs/dbraw/zinc/18/78/97/477187897.db2.gz TZAHUENECGVELZ-UHFFFAOYSA-N 0 2 343.270 2.769 20 5 EFBDLN O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436510640 477498920 /nfs/dbraw/zinc/49/89/20/477498920.db2.gz JHCJUTQHKMXATG-ZYHUDNBSSA-N 0 2 330.287 2.581 20 5 EFBDLN CCOC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436635341 477537708 /nfs/dbraw/zinc/53/77/08/477537708.db2.gz TZODGVSYILAFAA-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN O=[N+]([O-])c1cnc(Nc2ccn(CC(F)F)n2)c(C(F)(F)F)c1 ZINC000413166407 477549698 /nfs/dbraw/zinc/54/96/98/477549698.db2.gz GEPUABUNXUPHPN-UHFFFAOYSA-N 0 2 337.208 2.636 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)Cc2ccccc2O1 ZINC000436691794 477559293 /nfs/dbraw/zinc/55/92/93/477559293.db2.gz YYIDBTQNUFQVHE-LLVKDONJSA-N 0 2 328.324 2.724 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC=C(c2ccncc2)C1 ZINC000436703021 477562875 /nfs/dbraw/zinc/56/28/75/477562875.db2.gz FTFKHRMVZMHOKR-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1ccccc1F ZINC000436875616 477621295 /nfs/dbraw/zinc/62/12/95/477621295.db2.gz VBOIGGADDUIIDK-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436888476 477625243 /nfs/dbraw/zinc/62/52/43/477625243.db2.gz SLHZXQCZJCWNLI-AWEZNQCLSA-N 0 2 328.324 2.726 20 5 EFBDLN C[C@@H](COc1cccc(F)c1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436887975 477626405 /nfs/dbraw/zinc/62/64/05/477626405.db2.gz YSHHUOABQYGSCU-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN CCCCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)n1 ZINC000436894043 477627408 /nfs/dbraw/zinc/62/74/08/477627408.db2.gz RMKLLAHOPVDAAI-UHFFFAOYSA-N 0 2 346.387 2.926 20 5 EFBDLN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894009 477627565 /nfs/dbraw/zinc/62/75/65/477627565.db2.gz QASACQKTRJVXOY-QFYYESIMSA-N 0 2 348.330 2.946 20 5 EFBDLN Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc2ccc(F)cc21 ZINC000436941045 477643340 /nfs/dbraw/zinc/64/33/40/477643340.db2.gz ZQJKELQUSKZOHS-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN COCCOc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436949437 477645173 /nfs/dbraw/zinc/64/51/73/477645173.db2.gz KJXQTYUQYXNKRP-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN COCCN(Cc1cccs1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436957594 477646688 /nfs/dbraw/zinc/64/66/88/477646688.db2.gz YRBIBCBMACZFOW-UHFFFAOYSA-N 0 2 336.369 2.651 20 5 EFBDLN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955357 477647726 /nfs/dbraw/zinc/64/77/26/477647726.db2.gz FAEDNQRRQHBTCD-MGPLVRAMSA-N 0 2 348.330 2.946 20 5 EFBDLN COc1ccc(F)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955587 477647826 /nfs/dbraw/zinc/64/78/26/477647826.db2.gz LODMVOGXWRNTQU-SECBINFHSA-N 0 2 334.303 2.939 20 5 EFBDLN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436959745 477648486 /nfs/dbraw/zinc/64/84/86/477648486.db2.gz NZYMGFUGLMWNTH-HOCLYGCPSA-N 0 2 342.351 2.985 20 5 EFBDLN Cc1cccc2oc(CCNC(=O)c3cc([N+](=O)[O-])ccc3O)nc21 ZINC000436962716 477648982 /nfs/dbraw/zinc/64/89/82/477648982.db2.gz ANBZEHLXNZTRRN-UHFFFAOYSA-N 0 2 341.323 2.723 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000436963525 477651246 /nfs/dbraw/zinc/65/12/46/477651246.db2.gz ZOZUDQWTKZZYLP-VKTRGTBVSA-N 0 2 348.380 2.529 20 5 EFBDLN CCSc1nnc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)s1 ZINC000436963262 477651662 /nfs/dbraw/zinc/65/16/62/477651662.db2.gz YZNGEVJXDGBBLW-UHFFFAOYSA-N 0 2 326.359 2.516 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377117070 477653082 /nfs/dbraw/zinc/65/30/82/477653082.db2.gz ZXDYINVGHLYNNK-GLEZIHRCSA-N 0 2 332.287 2.692 20 5 EFBDLN COc1cccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436980482 477656407 /nfs/dbraw/zinc/65/64/07/477656407.db2.gz NVBJZEOPQPDERK-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN CSc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000437488863 477711504 /nfs/dbraw/zinc/71/15/04/477711504.db2.gz FJKRPPNKLOAKOB-UHFFFAOYSA-N 0 2 332.381 2.995 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C ZINC000438234812 477811757 /nfs/dbraw/zinc/81/17/57/477811757.db2.gz CIAORRXEYFBONL-UHFFFAOYSA-N 0 2 338.389 2.606 20 5 EFBDLN CC(C)CCc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461116437 477873678 /nfs/dbraw/zinc/87/36/78/477873678.db2.gz XISKDWFHGWRMNT-UHFFFAOYSA-N 0 2 349.412 2.801 20 5 EFBDLN CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461108238 477874470 /nfs/dbraw/zinc/87/44/70/477874470.db2.gz FHCLKFZOZUJXPU-UHFFFAOYSA-N 0 2 349.412 2.900 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000438823437 477888517 /nfs/dbraw/zinc/88/85/17/477888517.db2.gz ZCVFZUWOAGSXGK-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1noc2ccccc21 ZINC000438983945 477915611 /nfs/dbraw/zinc/91/56/11/477915611.db2.gz ITBREKSSWMYJOM-UHFFFAOYSA-N 0 2 347.352 2.720 20 5 EFBDLN CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)n[n-]c1=[NH+]C(C)(C)C ZINC000463097997 477927450 /nfs/dbraw/zinc/92/74/50/477927450.db2.gz KTOLTEBPVTXQHH-UHFFFAOYSA-N 0 2 347.419 2.912 20 5 EFBDLN O=C(NC1CCc2ccccc2CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000456462379 477941835 /nfs/dbraw/zinc/94/18/35/477941835.db2.gz RYKRNWOANJAAJC-UHFFFAOYSA-N 0 2 326.352 2.978 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000516933157 478015809 /nfs/dbraw/zinc/01/58/09/478015809.db2.gz TXAWKQLDLHSYJP-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000516933157 478015816 /nfs/dbraw/zinc/01/58/16/478015816.db2.gz TXAWKQLDLHSYJP-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccccc1[C@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000439728859 478022612 /nfs/dbraw/zinc/02/26/12/478022612.db2.gz AGALAULSLLVMCH-AEFFLSMTSA-N 0 2 342.351 2.769 20 5 EFBDLN COC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000495269501 478156447 /nfs/dbraw/zinc/15/64/47/478156447.db2.gz FGZNUXZQWDXPNJ-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN Cc1ccc(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)nc1 ZINC000600308036 478332428 /nfs/dbraw/zinc/33/24/28/478332428.db2.gz IXKGJAKOAFVNCO-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000590872578 478377438 /nfs/dbraw/zinc/37/74/38/478377438.db2.gz ZMAHGPUWTNOQEH-CABCVRRESA-N 0 2 346.383 2.722 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2noc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000570572364 478391021 /nfs/dbraw/zinc/39/10/21/478391021.db2.gz DJSHZAKCUFBDCJ-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3c2OCC3)cc1C ZINC000600659868 478457467 /nfs/dbraw/zinc/45/74/67/478457467.db2.gz NIBHCWUVTRZQPA-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN CCOC(=O)c1ccnc(Nc2cc(C)n([C@H](C)CC)n2)c1[N+](=O)[O-] ZINC000540495363 478478384 /nfs/dbraw/zinc/47/83/84/478478384.db2.gz VONASHFKBMRQNG-SNVBAGLBSA-N 0 2 347.375 2.808 20 5 EFBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000594722107 478512572 /nfs/dbraw/zinc/51/25/72/478512572.db2.gz YXEJBIPAOPLOPP-AWEZNQCLSA-N 0 2 328.390 2.542 20 5 EFBDLN CCc1ccc(C)nc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594728336 478517499 /nfs/dbraw/zinc/51/74/99/478517499.db2.gz BTOUXWYYIASFHW-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN COc1ccc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)cn1 ZINC000600812861 478530673 /nfs/dbraw/zinc/53/06/73/478530673.db2.gz LAZXLFSDQLNOFH-MRXNPFEDSA-N 0 2 343.339 2.585 20 5 EFBDLN Cc1[nH+]c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])ccc2n1C ZINC000542791508 478687509 /nfs/dbraw/zinc/68/75/09/478687509.db2.gz PPIZCLALWGROLB-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN O=C([O-])c1cc(NCCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-] ZINC000583016286 478744058 /nfs/dbraw/zinc/74/40/58/478744058.db2.gz STERFOFBQORGAN-UHFFFAOYSA-N 0 2 326.312 2.595 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598305861 478756895 /nfs/dbraw/zinc/75/68/95/478756895.db2.gz DMMHNBMFGWAUHS-MLGOLLRUSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000544562102 478848097 /nfs/dbraw/zinc/84/80/97/478848097.db2.gz PECYNCUDEINCEY-ZDUSSCGKSA-N 0 2 339.351 2.930 20 5 EFBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000592385324 478878053 /nfs/dbraw/zinc/87/80/53/478878053.db2.gz XSOICZFCSBBGFS-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN O=C([O-])c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000592426553 478892539 /nfs/dbraw/zinc/89/25/39/478892539.db2.gz HMJKMGFEUYGERZ-UHFFFAOYSA-N 0 2 343.339 2.736 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c(C)c1[N+](=O)[O-] ZINC000598735629 478997351 /nfs/dbraw/zinc/99/73/51/478997351.db2.gz YGPGGLRWBXESSQ-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN C[C@@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000584209180 479051149 /nfs/dbraw/zinc/05/11/49/479051149.db2.gz GIHCIMYMDYWSLX-SECBINFHSA-N 0 2 334.401 2.908 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC[N@@H+]1C1CC1 ZINC000574348692 479269739 /nfs/dbraw/zinc/26/97/39/479269739.db2.gz XXUDGYWBHWNODG-NSHDSACASA-N 0 2 325.752 2.519 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCC[N@H+]1C1CC1 ZINC000574348692 479269741 /nfs/dbraw/zinc/26/97/41/479269741.db2.gz XXUDGYWBHWNODG-NSHDSACASA-N 0 2 325.752 2.519 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000593553785 479386434 /nfs/dbraw/zinc/38/64/34/479386434.db2.gz PMLKZZYYAJKUDS-ZJUUUORDSA-N 0 2 348.277 2.987 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000611498122 479396326 /nfs/dbraw/zinc/39/63/26/479396326.db2.gz BGNOXNGHBHBPTF-UHFFFAOYSA-N 0 2 331.737 2.599 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)o1 ZINC000611498167 479396505 /nfs/dbraw/zinc/39/65/05/479396505.db2.gz DLOXYDMRCVGSQA-UHFFFAOYSA-N 0 2 325.346 2.508 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCO[C@H](c2ccccc2)C1 ZINC000611535148 479408165 /nfs/dbraw/zinc/40/81/65/479408165.db2.gz PIWXNJCNBCYOKP-KRWDZBQOSA-N 0 2 342.351 2.904 20 5 EFBDLN COCC[N@H+](Cc1ccco1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593735232 479439048 /nfs/dbraw/zinc/43/90/48/479439048.db2.gz UCDZBPRAUPQXAV-UHFFFAOYSA-N 0 2 334.328 2.535 20 5 EFBDLN COCC[N@@H+](Cc1ccco1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593735232 479439050 /nfs/dbraw/zinc/43/90/50/479439050.db2.gz UCDZBPRAUPQXAV-UHFFFAOYSA-N 0 2 334.328 2.535 20 5 EFBDLN Cc1cc(NCc2ccc[nH+]c2N(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575409394 479440738 /nfs/dbraw/zinc/44/07/38/479440738.db2.gz JYGUTVNHSNVGSG-UHFFFAOYSA-N 0 2 330.344 2.675 20 5 EFBDLN CC1(C)N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N(c2ccccc2)C1=O ZINC000602758539 479532824 /nfs/dbraw/zinc/53/28/24/479532824.db2.gz QTBXXELXVBOZNZ-OAHLLOKOSA-N 0 2 327.340 2.714 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000589977431 479588497 /nfs/dbraw/zinc/58/84/97/479588497.db2.gz NPQLMLKVNMTEJZ-UHFFFAOYSA-N 0 2 347.396 2.649 20 5 EFBDLN COc1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590597463 479665911 /nfs/dbraw/zinc/66/59/11/479665911.db2.gz CHRDSHBKHHCBGD-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000612600027 479706751 /nfs/dbraw/zinc/70/67/51/479706751.db2.gz UENONVGUEOXIPO-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN O=C1c2ccccc2CCC[C@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000619460867 479800023 /nfs/dbraw/zinc/80/00/23/479800023.db2.gz MFTLFBUQPJPQIB-MRXNPFEDSA-N 0 2 345.376 2.956 20 5 EFBDLN CC(C)(CO)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000619573939 479832235 /nfs/dbraw/zinc/83/22/35/479832235.db2.gz AVRSCYSLHZQAAR-MRXNPFEDSA-N 0 2 344.367 2.790 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000619578227 479833170 /nfs/dbraw/zinc/83/31/70/479833170.db2.gz HMUCKRGEAAVDPY-IMJJTQAJSA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000613991361 480160963 /nfs/dbraw/zinc/16/09/63/480160963.db2.gz SICWDOQCXSFWPD-OAHLLOKOSA-N 0 2 328.324 2.983 20 5 EFBDLN CC1=C(Br)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000281458170 517520759 /nfs/dbraw/zinc/52/07/59/517520759.db2.gz BUHBEQXRNOAWMJ-UHFFFAOYSA-N 0 2 341.161 2.815 20 5 EFBDLN CCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000060644850 519904173 /nfs/dbraw/zinc/90/41/73/519904173.db2.gz FRTMYLUZHITDNA-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C ZINC000103200630 523999980 /nfs/dbraw/zinc/99/99/80/523999980.db2.gz LMKHTOSTBZRACO-UHFFFAOYSA-N 0 2 330.340 2.890 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000067116745 524057878 /nfs/dbraw/zinc/05/78/78/524057878.db2.gz KNCNOUIQFXZWBJ-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN COc1cccc2[nH]cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)c21 ZINC000182697951 524196389 /nfs/dbraw/zinc/19/63/89/524196389.db2.gz FHVASGXTJJXQIZ-UHFFFAOYSA-N 0 2 341.323 2.972 20 5 EFBDLN C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000180155608 524399856 /nfs/dbraw/zinc/39/98/56/524399856.db2.gz GOJSECDMYMKDMH-NSHDSACASA-N 0 2 328.324 2.692 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccccc2)O1 ZINC000067860192 524867469 /nfs/dbraw/zinc/86/74/69/524867469.db2.gz BUEYDMYUCMPFRZ-PXAZEXFGSA-N 0 2 342.351 2.903 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2n[nH]cc2c1 ZINC000077704912 524907891 /nfs/dbraw/zinc/90/78/91/524907891.db2.gz PAUDUZZVNKRDJK-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN C[C@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531651 525935455 /nfs/dbraw/zinc/93/54/55/525935455.db2.gz APOILRMMZHKEHB-QMMMGPOBSA-N 0 2 338.266 2.985 20 5 EFBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000176723393 525989224 /nfs/dbraw/zinc/98/92/24/525989224.db2.gz SSZMXKAHLQJQIX-VIFPVBQESA-N 0 2 343.368 2.985 20 5 EFBDLN O=C(CCCNC(=O)c1ccsc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089541042 526443208 /nfs/dbraw/zinc/44/32/08/526443208.db2.gz NXAYRQGFLINOMK-UHFFFAOYSA-N 0 2 349.368 2.511 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000181853255 526628470 /nfs/dbraw/zinc/62/84/70/526628470.db2.gz NMVUEGFCRZHMCO-UHFFFAOYSA-N 0 2 340.335 2.936 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2ccccc2F)C1 ZINC000067177278 526713793 /nfs/dbraw/zinc/71/37/93/526713793.db2.gz IPBPFZAFVDDMGU-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000030646596 526714204 /nfs/dbraw/zinc/71/42/04/526714204.db2.gz SCEVJTPFKTWLPT-MRXNPFEDSA-N 0 2 328.324 2.514 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000180756454 527000619 /nfs/dbraw/zinc/00/06/19/527000619.db2.gz NJUKIGVWUCTVTR-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccncc1Br ZINC000180772832 527131977 /nfs/dbraw/zinc/13/19/77/527131977.db2.gz SCMBYDUCYMUYHG-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN CC(C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181890999 527746726 /nfs/dbraw/zinc/74/67/26/527746726.db2.gz RCBQBICDSOQAKW-UHFFFAOYSA-N 0 2 336.388 2.968 20 5 EFBDLN CC(C)c1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000174012074 528225368 /nfs/dbraw/zinc/22/53/68/528225368.db2.gz UATILYORVCZBBI-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000183670754 528459824 /nfs/dbraw/zinc/45/98/24/528459824.db2.gz CHSBAFIGDCARGC-UHFFFAOYSA-N 0 2 346.752 2.555 20 5 EFBDLN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccnc1 ZINC000176340856 528461143 /nfs/dbraw/zinc/46/11/43/528461143.db2.gz AQVBNYRYCQGTNB-CQSZACIVSA-N 0 2 329.356 2.865 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000183398362 528657456 /nfs/dbraw/zinc/65/74/56/528657456.db2.gz FKOPMIJBBGWLHH-UHFFFAOYSA-N 0 2 341.414 2.946 20 5 EFBDLN CCCc1csc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000183387832 528678865 /nfs/dbraw/zinc/67/88/65/528678865.db2.gz ONMWIPFTDNFCFC-UHFFFAOYSA-N 0 2 341.414 2.946 20 5 EFBDLN CN(CCOc1ccccc1F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194741350 536402555 /nfs/dbraw/zinc/40/25/55/536402555.db2.gz DLPVWRNCKQIAOB-UHFFFAOYSA-N 0 2 334.303 2.591 20 5 EFBDLN COc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1OC ZINC000351953382 536596846 /nfs/dbraw/zinc/59/68/46/536596846.db2.gz FQSZQKAJFBVNHZ-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359965296 536821490 /nfs/dbraw/zinc/82/14/90/536821490.db2.gz YOLRUGVLHNUPMT-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COCc1nc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cs1 ZINC000347476968 536823067 /nfs/dbraw/zinc/82/30/67/536823067.db2.gz CJCCRPWWRZNVTM-UHFFFAOYSA-N 0 2 348.340 2.544 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000755082608 575539081 /nfs/dbraw/zinc/53/90/81/575539081.db2.gz NSBFNSCBQWEPJH-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CC(=O)OCCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000756168321 575696500 /nfs/dbraw/zinc/69/65/00/575696500.db2.gz PTVLCOIZZTYWOV-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN Cc1cc(C)c(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cc1O ZINC000762456684 576303990 /nfs/dbraw/zinc/30/39/90/576303990.db2.gz VMEMQJWVROIYLU-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN Cc1cc(C)c(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1O ZINC000762456658 576304026 /nfs/dbraw/zinc/30/40/26/576304026.db2.gz TTXYWKMIXJKXPX-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)cs1 ZINC000768847922 577309256 /nfs/dbraw/zinc/30/92/56/577309256.db2.gz GQPXVFYIJLLPSS-UHFFFAOYSA-N 0 2 331.400 2.791 20 5 EFBDLN CC(C)c1cccnc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768864420 577311492 /nfs/dbraw/zinc/31/14/92/577311492.db2.gz QMINOQMQMYXFHL-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc2n[nH]cc21 ZINC000768886906 577314227 /nfs/dbraw/zinc/31/42/27/577314227.db2.gz FDWRWTKPHZLACF-UHFFFAOYSA-N 0 2 338.370 2.642 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738068081 577426448 /nfs/dbraw/zinc/42/64/48/577426448.db2.gz FAKPFVXSUWKNHT-MRXNPFEDSA-N 0 2 330.340 2.861 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000738068081 577426449 /nfs/dbraw/zinc/42/64/49/577426449.db2.gz FAKPFVXSUWKNHT-MRXNPFEDSA-N 0 2 330.340 2.861 20 5 EFBDLN O=C([O-])[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cc(F)ccc1F ZINC000739505528 599788528 /nfs/dbraw/zinc/78/85/28/599788528.db2.gz RBXKCVRKPXXBNX-GFCCVEGCSA-N 0 2 328.296 2.850 20 5 EFBDLN C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000736606518 599854112 /nfs/dbraw/zinc/85/41/12/599854112.db2.gz GLKLCUPLGDUHMA-KTLBGCOUSA-N 0 2 330.344 2.637 20 5 EFBDLN C[C@@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000736606517 599854149 /nfs/dbraw/zinc/85/41/49/599854149.db2.gz GLKLCUPLGDUHMA-FHMRSRPSSA-N 0 2 330.344 2.637 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)n2)cc1[N+](=O)[O-] ZINC000162273944 1267710562 /nfs/dbraw/zinc/71/05/62/1267710562.db2.gz QCQZVCPXZUAZRM-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000742030064 1269827378 /nfs/dbraw/zinc/82/73/78/1269827378.db2.gz PGOQIZMMHMFWIL-UHFFFAOYSA-N 0 2 342.352 2.621 20 5 EFBDLN CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025752 1272621460 /nfs/dbraw/zinc/62/14/60/1272621460.db2.gz UTFUHWNZPNVFMJ-ARFHVFGLSA-N 0 2 349.479 2.545 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(F)c1 ZINC000790381827 1277487256 /nfs/dbraw/zinc/48/72/56/1277487256.db2.gz CLPSIHIWJDHDMO-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](O)c1ccccc1 ZINC000790401168 1277540580 /nfs/dbraw/zinc/54/05/80/1277540580.db2.gz KBIXATZCUCDKEZ-IAGOWNOFSA-N 0 2 344.367 2.788 20 5 EFBDLN CC(C)(C)c1coc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000794043123 1280008844 /nfs/dbraw/zinc/00/88/44/1280008844.db2.gz PRKCDKAZHULUOI-UHFFFAOYSA-N 0 2 331.375 2.743 20 5 EFBDLN CC(C)(O)CONc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000811839538 1284669337 /nfs/dbraw/zinc/66/93/37/1284669337.db2.gz IVIYVGYOMQSTIX-UHFFFAOYSA-N 0 2 333.344 2.683 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(C(F)(F)F)c1 ZINC000813499099 1285968367 /nfs/dbraw/zinc/96/83/67/1285968367.db2.gz MCZIAPMMPHDDNE-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1[N+](=O)[O-] ZINC000817038926 1288386436 /nfs/dbraw/zinc/38/64/36/1288386436.db2.gz PPNPUVLXRFZWNW-UHFFFAOYSA-N 0 2 345.311 2.874 20 5 EFBDLN COc1ccc(Cl)cc1C1(c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CC1 ZINC000817099315 1288407781 /nfs/dbraw/zinc/40/77/81/1288407781.db2.gz LRDKWUYLGPHKOV-MWLCHTKSSA-N 0 2 335.747 2.944 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(Br)c1 ZINC000092546467 1290787401 /nfs/dbraw/zinc/78/74/01/1290787401.db2.gz IWKYVAPKXKLTIE-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)nc1 ZINC000092547248 1290787225 /nfs/dbraw/zinc/78/72/25/1290787225.db2.gz NCVIEYVCEQUVEX-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN COC[C@@H](C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cc(Cl)ccc1C ZINC000876302171 1290889466 /nfs/dbraw/zinc/88/94/66/1290889466.db2.gz XULXXYCRPZPGDK-MPKXVKKWSA-N 0 2 326.780 2.682 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2)c1F ZINC000126176868 1291034090 /nfs/dbraw/zinc/03/40/90/1291034090.db2.gz KSSBHNPRWZCZDD-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccnc(-c2noc(-c3[nH]nc(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212973168 1297331448 /nfs/dbraw/zinc/33/14/48/1297331448.db2.gz UAALVNBNCQQQCN-UHFFFAOYSA-N 0 2 340.221 2.757 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1N(C)C ZINC000109425125 1299301087 /nfs/dbraw/zinc/30/10/87/1299301087.db2.gz FNQLIGKYFYMAIU-UHFFFAOYSA-N 0 2 335.385 2.770 20 5 EFBDLN O=C(Nc1ncc(Cc2c(F)cccc2F)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855849277 1301143314 /nfs/dbraw/zinc/14/33/14/1301143314.db2.gz UNSKHHSRKUEKLW-BXKDBHETSA-N 0 2 339.323 2.616 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000800844238 1308540057 /nfs/dbraw/zinc/54/00/57/1308540057.db2.gz PUKJGKBFOCGSJW-UHFFFAOYSA-N 0 2 345.764 2.908 20 5 EFBDLN O=C(OCC1CC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801384701 1310057754 /nfs/dbraw/zinc/05/77/54/1310057754.db2.gz IYNMEGXZKKYFGB-UHFFFAOYSA-N 0 2 337.719 2.706 20 5 EFBDLN C[C@H](Oc1cccc(O)c1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001225624239 1311555827 /nfs/dbraw/zinc/55/58/27/1311555827.db2.gz WVWXDFYKZZRIIV-JTQLQIEISA-N 0 2 338.360 2.935 20 5 EFBDLN CO[C@@H](COc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC001227624802 1311832934 /nfs/dbraw/zinc/83/29/34/1311832934.db2.gz FMTIEXYZHQRNIF-JTQLQIEISA-N 0 2 337.357 2.579 20 5 EFBDLN COc1cccc([C@@H](C)Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001227625477 1311833048 /nfs/dbraw/zinc/83/30/48/1311833048.db2.gz XXJFABRCYUEPKI-MRVPVSSYSA-N 0 2 337.357 2.961 20 5 EFBDLN CSc1nc(O[C@@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627647 1311833372 /nfs/dbraw/zinc/83/33/72/1311833372.db2.gz HPXLZSNLWZYRJX-LLVKDONJSA-N 0 2 334.357 2.737 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCOC[C@@H]4C)c3nc2cc1C ZINC001228685452 1311981916 /nfs/dbraw/zinc/98/19/16/1311981916.db2.gz HHEKAULFKGVDPW-SMDDNHRTSA-N 0 2 340.383 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H](C)c4cnccn4)c3nc2cc1C ZINC001228683710 1311981957 /nfs/dbraw/zinc/98/19/57/1311981957.db2.gz CGCBMPSXANOMFC-LLVKDONJSA-N 0 2 348.366 2.825 20 5 EFBDLN CC(C)Oc1cc(COc2cc(O)cc(O)c2[N+](=O)[O-])cnc1F ZINC001228974661 1312030367 /nfs/dbraw/zinc/03/03/67/1312030367.db2.gz VOWQZELSAFJGGW-UHFFFAOYSA-N 0 2 338.291 2.906 20 5 EFBDLN CCOC(=O)[C@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975290 1312030428 /nfs/dbraw/zinc/03/04/28/1312030428.db2.gz ZDWHZYSETRJNFD-GXSJLCMTSA-N 0 2 325.317 2.507 20 5 EFBDLN C[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000802888028 1312111155 /nfs/dbraw/zinc/11/11/55/1312111155.db2.gz VREJIVQVJMKWEX-SNVBAGLBSA-N 0 2 330.296 2.519 20 5 EFBDLN CCCSc1nc(O[C@H](C)c2cnccn2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792611 1312140394 /nfs/dbraw/zinc/14/03/94/1312140394.db2.gz USZDYVVXEJSKHX-MRVPVSSYSA-N 0 2 337.361 2.523 20 5 EFBDLN CCCSc1nc(O[C@@H](CC)C(=O)CC)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790982 1312140516 /nfs/dbraw/zinc/14/05/16/1312140516.db2.gz DXICEMDCLNDXOG-VIFPVBQESA-N 0 2 329.378 2.729 20 5 EFBDLN COC(=O)c1c[nH]c(O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)n1 ZINC001230281609 1312214920 /nfs/dbraw/zinc/21/49/20/1312214920.db2.gz BDHFNFPVSVERHE-SNVBAGLBSA-N 0 2 345.233 2.787 20 5 EFBDLN CC(C)Cc1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120030316 1314761616 /nfs/dbraw/zinc/76/16/16/1314761616.db2.gz UCEIAIRMRGFNNU-UHFFFAOYSA-N 0 2 348.431 2.507 20 5 EFBDLN CC(=O)c1cc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)ccn1 ZINC001247988589 1314878928 /nfs/dbraw/zinc/87/89/28/1314878928.db2.gz XYDCWGMCWHROCJ-UHFFFAOYSA-N 0 2 340.295 2.539 20 5 EFBDLN COc1cc(-c2nc(-c3cccnc3C)no2)cc([N+](=O)[O-])c1O ZINC001216837422 1315013596 /nfs/dbraw/zinc/01/35/96/1315013596.db2.gz WSEPGAGGKBEKLU-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cc1ccc(-c2nc(-c3cccn4ccnc34)no2)c([N+](=O)[O-])c1O ZINC001216859293 1315016361 /nfs/dbraw/zinc/01/63/61/1315016361.db2.gz TWHAPUUYSQQOCU-UHFFFAOYSA-N 0 2 337.295 2.974 20 5 EFBDLN COc1ccc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)nc1 ZINC001216856568 1315016476 /nfs/dbraw/zinc/01/64/76/1315016476.db2.gz CCNRLAAVFJBAHA-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cc1ccc(-c2nc(-c3cccc4ccnn43)no2)c([N+](=O)[O-])c1O ZINC001216858861 1315016804 /nfs/dbraw/zinc/01/68/04/1315016804.db2.gz JWFDBPIBGCUALD-UHFFFAOYSA-N 0 2 337.295 2.974 20 5 EFBDLN O=S(=O)(Nc1cccc2nc3ccccc3nc21)c1cccnc1 ZINC001259608461 1316260863 /nfs/dbraw/zinc/26/08/63/1316260863.db2.gz LLYUDGZMNPGWKQ-UHFFFAOYSA-N 0 2 336.376 2.979 20 5 EFBDLN Cn1cc(S(=O)(=O)[N-]c2ccc3[nH+]c4ccccc4cc3c2)cn1 ZINC001259827019 1316284024 /nfs/dbraw/zinc/28/40/24/1316284024.db2.gz XZZVXLJBRLEQCB-UHFFFAOYSA-N 0 2 338.392 2.922 20 5 EFBDLN Cn1cc(S(=O)(=O)Nc2ccc3nc4ccccc4cc3c2)cn1 ZINC001259827019 1316284028 /nfs/dbraw/zinc/28/40/28/1316284028.db2.gz XZZVXLJBRLEQCB-UHFFFAOYSA-N 0 2 338.392 2.922 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001340019362 1332128858 /nfs/dbraw/zinc/12/88/58/1332128858.db2.gz WDVNFAJWUKLLNQ-ZDUSSCGKSA-N 0 2 343.387 2.865 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC001341197278 1332241927 /nfs/dbraw/zinc/24/19/27/1332241927.db2.gz WOCCKCNMSZVJRA-BETUJISGSA-N 0 2 343.387 2.815 20 5 EFBDLN C[C@H]1CCCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)CC1 ZINC001341704110 1332278383 /nfs/dbraw/zinc/27/83/83/1332278383.db2.gz QFEGIHCHUYICTQ-NSHDSACASA-N 0 2 331.376 2.722 20 5 EFBDLN C[C@H]1CN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)CC[C@@H]1C ZINC001351095052 1333179476 /nfs/dbraw/zinc/17/94/76/1333179476.db2.gz MIUPHPYFFSZHNH-QWRGUYRKSA-N 0 2 331.376 2.578 20 5 EFBDLN Cc1cc[nH+]c(N[C@@H](C)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826311696 1447263908 /nfs/dbraw/zinc/26/39/08/1447263908.db2.gz LJFDKMXNFZDSQL-JTQLQIEISA-N 0 2 325.332 2.651 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120131132 712947187 /nfs/dbraw/zinc/94/71/87/712947187.db2.gz ZQHWBBYBRAMQMQ-UHFFFAOYSA-N 0 2 333.416 2.866 20 5 EFBDLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC000055555691 727945648 /nfs/dbraw/zinc/94/56/48/727945648.db2.gz SJTWHNBDSFJYNL-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000037326178 789561216 /nfs/dbraw/zinc/56/12/16/789561216.db2.gz SDHFJMSDSPZNAA-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN C[C@@](CC(=O)[O-])([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592329095 977752086 /nfs/dbraw/zinc/75/20/86/977752086.db2.gz RALWXTJVFWBHMA-KRWDZBQOSA-N 0 2 348.330 2.919 20 5 EFBDLN COC[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC001599176860 996863473 /nfs/dbraw/zinc/86/34/73/996863473.db2.gz IJJMURGLKFJZRP-ZDUSSCGKSA-N 0 2 334.328 2.672 20 5 EFBDLN COc1cc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001599415846 997508027 /nfs/dbraw/zinc/50/80/27/997508027.db2.gz HJNQVYVVHMARHV-QMMMGPOBSA-N 0 2 337.357 2.609 20 5 EFBDLN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192119 1096470236 /nfs/dbraw/zinc/47/02/36/1096470236.db2.gz YXZGVYUKKQBJQK-BDJLRTHQSA-N 0 2 330.340 2.852 20 5 EFBDLN COc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1O ZINC001607251423 1097575144 /nfs/dbraw/zinc/57/51/44/1097575144.db2.gz FKJAVZFGEBCUSF-UHFFFAOYSA-N 0 2 346.339 2.639 20 5 EFBDLN COc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1O ZINC001607251423 1097575147 /nfs/dbraw/zinc/57/51/47/1097575147.db2.gz FKJAVZFGEBCUSF-UHFFFAOYSA-N 0 2 346.339 2.639 20 5 EFBDLN Cc1c(C[N@@H+]2CCOc3c(cccc3C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607528026 1097652698 /nfs/dbraw/zinc/65/26/98/1097652698.db2.gz UGJXQOACPNRZBR-UHFFFAOYSA-N 0 2 342.351 2.996 20 5 EFBDLN Cc1c(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC001607528026 1097652701 /nfs/dbraw/zinc/65/27/01/1097652701.db2.gz UGJXQOACPNRZBR-UHFFFAOYSA-N 0 2 342.351 2.996 20 5 EFBDLN Cc1cc(C)c(NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)[nH+]1 ZINC001607620607 1097679669 /nfs/dbraw/zinc/67/96/69/1097679669.db2.gz BCUNRKHHTWDUEC-UHFFFAOYSA-N 0 2 329.312 2.866 20 5 EFBDLN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC001608659662 1097980199 /nfs/dbraw/zinc/98/01/99/1097980199.db2.gz GHYMHMQFVOPWCD-VOTSOKGWSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])/C=C/c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)o1 ZINC001608659662 1097980205 /nfs/dbraw/zinc/98/02/05/1097980205.db2.gz GHYMHMQFVOPWCD-VOTSOKGWSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])/C=C\c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001608660616 1097980829 /nfs/dbraw/zinc/98/08/29/1097980829.db2.gz XAGDLZOVAWZRCG-WAYWQWQTSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])/C=C\c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001608660616 1097980834 /nfs/dbraw/zinc/98/08/34/1097980834.db2.gz XAGDLZOVAWZRCG-WAYWQWQTSA-N 0 2 328.324 2.844 20 5 EFBDLN O=C([O-])c1cccc2c1OCC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001608943559 1098085419 /nfs/dbraw/zinc/08/54/19/1098085419.db2.gz HBMZASVIBLWQRZ-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1cccc2c1OCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001608943559 1098085421 /nfs/dbraw/zinc/08/54/21/1098085421.db2.gz HBMZASVIBLWQRZ-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cccn2)c(F)c1 ZINC000089541144 1106301051 /nfs/dbraw/zinc/30/10/51/1106301051.db2.gz LFVWYMQHJXIAHZ-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2ccc(F)c(Br)c2)no1 ZINC000842491146 1106778663 /nfs/dbraw/zinc/77/86/63/1106778663.db2.gz RTGCIDCIAHAZQY-GMSGAONNSA-N 0 2 342.124 2.695 20 5 EFBDLN Cc1noc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)n1 ZINC000092549442 1106881734 /nfs/dbraw/zinc/88/17/34/1106881734.db2.gz DJTXSWPFASJPCY-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(N[C@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436867308 303962077 /nfs/dbraw/zinc/96/20/77/303962077.db2.gz BQJJDBPHNCYTIS-AWEZNQCLSA-N 0 2 328.324 2.944 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000055555395 214329738 /nfs/dbraw/zinc/32/97/38/214329738.db2.gz IYHVRSRLKZHVHA-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN CN(C)c1nc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2o1 ZINC000164972103 529805111 /nfs/dbraw/zinc/80/51/11/529805111.db2.gz SEKBSCMWRWZCDR-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000158548723 303977613 /nfs/dbraw/zinc/97/76/13/303977613.db2.gz HEPDLLOWZZKDAW-GUYCJALGSA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@H]1COc2cccc(Cl)c21)c1ccc([N+](=O)[O-])cc1O ZINC000436924613 303988173 /nfs/dbraw/zinc/98/81/73/303988173.db2.gz CZQNRPCYYXQCEZ-NSHDSACASA-N 0 2 334.715 2.817 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065833810 214997584 /nfs/dbraw/zinc/99/75/84/214997584.db2.gz QLVBFHSVEMNUIR-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1C(C)C ZINC000066248483 215026404 /nfs/dbraw/zinc/02/64/04/215026404.db2.gz HPDUNADOVRPIIR-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCN(c2ccccc2)CC1 ZINC000181908725 234376793 /nfs/dbraw/zinc/37/67/93/234376793.db2.gz NHLZYAJFOHJUES-UHFFFAOYSA-N 0 2 341.367 2.653 20 5 EFBDLN Cc1ccc(Cn2nccc2NC(=O)c2ccc(O)c([N+](=O)[O-])c2)o1 ZINC000160304493 239049026 /nfs/dbraw/zinc/04/90/26/239049026.db2.gz BYQODNXPEAQMAP-UHFFFAOYSA-N 0 2 342.311 2.699 20 5 EFBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000171809043 239157994 /nfs/dbraw/zinc/15/79/94/239157994.db2.gz IIUAWHDJUADCJA-UHFFFAOYSA-N 0 2 333.304 2.833 20 5 EFBDLN CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000192773627 240065775 /nfs/dbraw/zinc/06/57/75/240065775.db2.gz JZPDYEALNFNMLI-INIZCTEOSA-N 0 2 330.340 2.808 20 5 EFBDLN O=C(NCCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193744594 240124575 /nfs/dbraw/zinc/12/45/75/240124575.db2.gz ZADVGLRSOVRSCZ-UHFFFAOYSA-N 0 2 326.761 2.988 20 5 EFBDLN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000194745849 240174607 /nfs/dbraw/zinc/17/46/07/240174607.db2.gz PBACRSAUZGXSNL-ZDUSSCGKSA-N 0 2 341.367 2.557 20 5 EFBDLN CCC(C)(C)OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000412001320 243065186 /nfs/dbraw/zinc/06/51/86/243065186.db2.gz PWFNSEOZSZVSGY-UHFFFAOYSA-N 0 2 333.348 2.524 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1N1CCCC1 ZINC000089540802 217810407 /nfs/dbraw/zinc/81/04/07/217810407.db2.gz YLQMBEQGLSULBL-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2c(=O)o1 ZINC000433381177 248055194 /nfs/dbraw/zinc/05/51/94/248055194.db2.gz IHLXEIGMQXXZBV-UHFFFAOYSA-N 0 2 326.264 2.659 20 5 EFBDLN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000092546187 218149925 /nfs/dbraw/zinc/14/99/25/218149925.db2.gz KMTXEMMVXRFWJM-RYUDHWBXSA-N 0 2 349.387 2.524 20 5 EFBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000442213853 250072245 /nfs/dbraw/zinc/07/22/45/250072245.db2.gz LUMJARZNEHPAJQ-SNVBAGLBSA-N 0 2 336.373 2.699 20 5 EFBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000442213851 250073486 /nfs/dbraw/zinc/07/34/86/250073486.db2.gz LUMJARZNEHPAJQ-JTQLQIEISA-N 0 2 336.373 2.699 20 5 EFBDLN COc1c(F)cc(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442339284 250077515 /nfs/dbraw/zinc/07/75/15/250077515.db2.gz ZKDSARINICLLHU-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1cnc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000267514204 251121804 /nfs/dbraw/zinc/12/18/04/251121804.db2.gz JRQWORXFNAACOO-MRVPVSSYSA-N 0 2 345.377 2.538 20 5 EFBDLN CCOCc1nc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000450389017 251370834 /nfs/dbraw/zinc/37/08/34/251370834.db2.gz JIRSMGJQZYHLTB-UHFFFAOYSA-N 0 2 337.357 2.854 20 5 EFBDLN COc1c(C)c[nH+]c(CN(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1C ZINC000178205974 533410380 /nfs/dbraw/zinc/41/03/80/533410380.db2.gz GMFPHJWBOQVJDP-UHFFFAOYSA-N 0 2 345.355 2.593 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000344879721 142091861 /nfs/dbraw/zinc/09/18/61/142091861.db2.gz GESXCIRUXWKDKF-UHFFFAOYSA-N 0 2 346.368 2.643 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc2[nH]ncc21 ZINC000346496580 142212229 /nfs/dbraw/zinc/21/22/29/142212229.db2.gz YJQNQKQWDAWJHK-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1cc(OC)cc(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000347658451 142252367 /nfs/dbraw/zinc/25/23/67/142252367.db2.gz UBFVPKJWHMZYEK-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN Cc1cc(=NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)[nH]nc1C ZINC000343550921 145236606 /nfs/dbraw/zinc/23/66/06/145236606.db2.gz HNXHJRSVZSOQRC-UHFFFAOYSA-N 0 2 343.387 2.568 20 5 EFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2 ZINC000343878184 145315143 /nfs/dbraw/zinc/31/51/43/145315143.db2.gz OXKDFURBYSCIGS-SECBINFHSA-N 0 2 330.296 2.771 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000350683823 146080033 /nfs/dbraw/zinc/08/00/33/146080033.db2.gz IDPYKBZOICLPCE-UHFFFAOYSA-N 0 2 338.389 2.626 20 5 EFBDLN CCSc1nnc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000350700359 146081845 /nfs/dbraw/zinc/08/18/45/146081845.db2.gz NKEDCMCFAPVGIA-UHFFFAOYSA-N 0 2 326.359 2.516 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1 ZINC000351613064 146158859 /nfs/dbraw/zinc/15/88/59/146158859.db2.gz ZZAVYKYMQDXRSC-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=c1cc(C=Cc2ccc([N+](=O)[O-])c(O)c2)nc(-c2ccncc2)[nH]1 ZINC000352021068 146267079 /nfs/dbraw/zinc/26/70/79/146267079.db2.gz MIYNGDUJCMGFNP-HNQUOIGGSA-N 0 2 336.307 2.616 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000352876388 146338596 /nfs/dbraw/zinc/33/85/96/146338596.db2.gz LGGGWFTVHQBBCA-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000355879708 147089459 /nfs/dbraw/zinc/08/94/59/147089459.db2.gz KAAMQQHJQDSSDR-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000356003043 147120461 /nfs/dbraw/zinc/12/04/61/147120461.db2.gz INQFMDGHQPEXDX-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356288733 147201653 /nfs/dbraw/zinc/20/16/53/147201653.db2.gz BQBNSBNTSMOMLU-SNVBAGLBSA-N 0 2 344.323 2.814 20 5 EFBDLN Cc1ccc([C@H](C)[C@@H](O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000356326375 147213200 /nfs/dbraw/zinc/21/32/00/147213200.db2.gz YUDSGCKLPFLJGO-MEDUHNTESA-N 0 2 330.340 2.712 20 5 EFBDLN CCC1(CC)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H](C)[C@H]1OC ZINC000356973078 147386912 /nfs/dbraw/zinc/38/69/12/147386912.db2.gz HRLAJOLODKRMMG-VCTAVGKDSA-N 0 2 336.388 2.870 20 5 EFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000359401331 148075844 /nfs/dbraw/zinc/07/58/44/148075844.db2.gz SIWAOPBYLZFSEF-UHFFFAOYSA-N 0 2 348.167 2.519 20 5 EFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000359402503 148076098 /nfs/dbraw/zinc/07/60/98/148076098.db2.gz FHEGTCLBPPSXEI-UHFFFAOYSA-N 0 2 348.167 2.519 20 5 EFBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000359417971 148080200 /nfs/dbraw/zinc/08/02/00/148080200.db2.gz UBPUMBWITQGTOU-UHFFFAOYSA-N 0 2 348.167 2.519 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000359831436 148200526 /nfs/dbraw/zinc/20/05/26/148200526.db2.gz KAGBNJCTBLLIBZ-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1[N+](=O)[O-] ZINC000359859224 148209185 /nfs/dbraw/zinc/20/91/85/148209185.db2.gz SEXCKSGSSOIYOD-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184625785 265023211 /nfs/dbraw/zinc/02/32/11/265023211.db2.gz WQOHOLJBKIOGFN-JTQLQIEISA-N 0 2 346.314 2.831 20 5 EFBDLN CO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000187549625 265109043 /nfs/dbraw/zinc/10/90/43/265109043.db2.gz VSAKIYFIBDBBHR-OAHLLOKOSA-N 0 2 334.303 2.557 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)oc1C ZINC000272092851 266150695 /nfs/dbraw/zinc/15/06/95/266150695.db2.gz DVYMWNKAQKSGHU-UHFFFAOYSA-N 0 2 345.764 2.962 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)oc1C ZINC000272165101 266174283 /nfs/dbraw/zinc/17/42/83/266174283.db2.gz OMHIAXPDSLPECW-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN COc1ccccc1[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272354045 266239836 /nfs/dbraw/zinc/23/98/36/266239836.db2.gz CWZOIYNXWAIHLA-GFCCVEGCSA-N 0 2 342.351 2.939 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1[N+](=O)[O-] ZINC000177090150 273036663 /nfs/dbraw/zinc/03/66/63/273036663.db2.gz IYOUPWLCNUJVRT-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(NCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1O ZINC000184586739 273049318 /nfs/dbraw/zinc/04/93/18/273049318.db2.gz JSQZJTIIUPKCPJ-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](O)c1ccccc1 ZINC000280517266 273336134 /nfs/dbraw/zinc/33/61/34/273336134.db2.gz ISULYQFGQVHLMK-RHSMWYFYSA-N 0 2 344.367 2.933 20 5 EFBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H](O)c1ccccc1 ZINC000280517267 273336213 /nfs/dbraw/zinc/33/62/13/273336213.db2.gz ISULYQFGQVHLMK-WMLDXEAASA-N 0 2 344.367 2.933 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000282138193 273519161 /nfs/dbraw/zinc/51/91/61/273519161.db2.gz PTIZFDSMVITIBH-MEYUZBJRSA-N 0 2 348.399 2.702 20 5 EFBDLN CC1(C)N[C@H](c2ccc([N+](=O)[O-])c(O)c2)N(CC2CCCC2)C1=O ZINC000414191026 281398424 /nfs/dbraw/zinc/39/84/24/281398424.db2.gz UIEYQQPJQOUAPO-HNNXBMFYSA-N 0 2 333.388 2.700 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2ccccc2[nH]1 ZINC000126369065 293036391 /nfs/dbraw/zinc/03/63/91/293036391.db2.gz MHQKSCXIQVUMNY-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000127924318 293085701 /nfs/dbraw/zinc/08/57/01/293085701.db2.gz OMBLFNFPZXUWPK-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN CCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000130308108 293161359 /nfs/dbraw/zinc/16/13/59/293161359.db2.gz CAUYRQTUJDLJPB-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)noc1C ZINC000290569815 294122579 /nfs/dbraw/zinc/12/25/79/294122579.db2.gz TYUUJVLWMBGEGS-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)OCCc2sccc21 ZINC000291579542 294420426 /nfs/dbraw/zinc/42/04/26/294420426.db2.gz PBFUJTSHSZMZFA-INIZCTEOSA-N 0 2 348.380 2.580 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1OCCc2sccc21 ZINC000294373223 295156019 /nfs/dbraw/zinc/15/60/19/295156019.db2.gz VPEODCXEABJMBX-RFAUZJTJSA-N 0 2 348.380 2.794 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1OCCc2sccc21 ZINC000294686225 295207918 /nfs/dbraw/zinc/20/79/18/295207918.db2.gz PWVRMXRQKDERAR-RFAUZJTJSA-N 0 2 348.380 2.794 20 5 EFBDLN COCc1nnc([C@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000295599172 295347072 /nfs/dbraw/zinc/34/70/72/295347072.db2.gz CSSYFKOSBQTNNV-LLVKDONJSA-N 0 2 337.405 2.648 20 5 EFBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](c2ccccc2)CO1 ZINC000182065644 300188566 /nfs/dbraw/zinc/18/85/66/300188566.db2.gz UNFMEEIIYKGEQE-BLLLJJGKSA-N 0 2 342.351 2.903 20 5 EFBDLN Cc1cc(F)cc2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000436484073 301306175 /nfs/dbraw/zinc/30/61/75/301306175.db2.gz DIBWINVKXOMYPD-UHFFFAOYSA-N 0 2 330.315 2.946 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c2CCO3)c1[N+](=O)[O-] ZINC000358496509 301558802 /nfs/dbraw/zinc/55/88/02/301558802.db2.gz LEAHRLPEPYSFGT-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000135530346 310656567 /nfs/dbraw/zinc/65/65/67/310656567.db2.gz JHTKUFNSOXTBDC-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1cccc2c1CC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000150909881 310676868 /nfs/dbraw/zinc/67/68/68/310676868.db2.gz OCWKUCCGQHPROY-ZDUSSCGKSA-N 0 2 328.324 2.726 20 5 EFBDLN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000331403507 311374429 /nfs/dbraw/zinc/37/44/29/311374429.db2.gz MFIHUJQSEGRQHQ-GFCCVEGCSA-N 0 2 334.372 2.912 20 5 EFBDLN NC(=O)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000350593755 311811255 /nfs/dbraw/zinc/81/12/55/311811255.db2.gz IVLQBNDAFUEGHL-UHFFFAOYSA-N 0 2 341.283 2.508 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCc2ccccc2CC1 ZINC000456311319 313037298 /nfs/dbraw/zinc/03/72/98/313037298.db2.gz LABCWFQJAVHYBD-UHFFFAOYSA-N 0 2 326.352 2.932 20 5 EFBDLN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N=c1ccc(C2CC2)n[nH]1 ZINC000491838377 313786010 /nfs/dbraw/zinc/78/60/10/313786010.db2.gz MCYVOYWWZLGSLH-KRXBUXKQSA-N 0 2 344.758 2.989 20 5 EFBDLN Cc1cc(=NC(=O)/C=C\c2ccc(Cl)c([N+](=O)[O-])c2)[nH]nc1C ZINC000491842797 313788024 /nfs/dbraw/zinc/78/80/24/313788024.db2.gz HACRULMJGSHFFK-XQRVVYSFSA-N 0 2 332.747 2.729 20 5 EFBDLN COc1ccc(/C=C\C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000492650498 314071421 /nfs/dbraw/zinc/07/14/21/314071421.db2.gz NOYBVWDKZQMFKX-YWEYNIOJSA-N 0 2 344.323 2.970 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000494007874 314532606 /nfs/dbraw/zinc/53/26/06/314532606.db2.gz CQNDZLQRMNFKOE-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN COc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000523413999 316121955 /nfs/dbraw/zinc/12/19/55/316121955.db2.gz IJLSLRDQTIEXIJ-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c([N+](=O)[O-])c1 ZINC000547822964 318045777 /nfs/dbraw/zinc/04/57/77/318045777.db2.gz SLXLIJYYAITYON-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN O=C(Nc1ccc2oc(CO)cc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000552774300 318263020 /nfs/dbraw/zinc/26/30/20/318263020.db2.gz LUIJHJJDKYYBPP-UHFFFAOYSA-N 0 2 328.280 2.791 20 5 EFBDLN Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567616828 319189152 /nfs/dbraw/zinc/18/91/52/319189152.db2.gz PVPTUQRUKPVUFB-UHFFFAOYSA-N 0 2 344.371 2.771 20 5 EFBDLN O=C([O-])[C@@H]1CC12CCN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CC2 ZINC000567984680 319233655 /nfs/dbraw/zinc/23/36/55/319233655.db2.gz YAGFULKBKUOJDW-AWEZNQCLSA-N 0 2 327.340 2.834 20 5 EFBDLN CNc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1sc(C)nc1C ZINC000575401126 319943946 /nfs/dbraw/zinc/94/39/46/319943946.db2.gz JMGZXFPCDIJGQK-UHFFFAOYSA-N 0 2 342.402 2.511 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000577485824 320115324 /nfs/dbraw/zinc/11/53/24/320115324.db2.gz GQHQCRWCJZJDHE-MRXNPFEDSA-N 0 2 346.383 2.722 20 5 EFBDLN Cc1oc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1C(=O)[O-] ZINC000578137712 320177356 /nfs/dbraw/zinc/17/73/56/320177356.db2.gz TWXIOLOMBWHGMZ-UHFFFAOYSA-N 0 2 345.355 2.517 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000578351601 320197956 /nfs/dbraw/zinc/19/79/56/320197956.db2.gz INTFNWDXTDSYLA-INIZCTEOSA-N 0 2 346.383 2.722 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccnc(OC2CCC2)c1 ZINC000183904508 323350695 /nfs/dbraw/zinc/35/06/95/323350695.db2.gz DTJKOKMXRAYGIW-UHFFFAOYSA-N 0 2 329.312 2.879 20 5 EFBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(F)c(O)c1F ZINC000185041931 323381234 /nfs/dbraw/zinc/38/12/34/323381234.db2.gz MFXPFAIQWMYMGD-UHFFFAOYSA-N 0 2 340.257 2.990 20 5 EFBDLN CCCS(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000192735579 323481675 /nfs/dbraw/zinc/48/16/75/323481675.db2.gz NPAZZEMVNCAGHK-UHFFFAOYSA-N 0 2 327.387 2.870 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000060496308 462553824 /nfs/dbraw/zinc/55/38/24/462553824.db2.gz FNTQRPLSXISWBR-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000078352052 463108193 /nfs/dbraw/zinc/10/81/93/463108193.db2.gz GBQGAVYNIKSDSI-UHFFFAOYSA-N 0 2 325.371 2.730 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1COc2ccccc21 ZINC000184891770 473265092 /nfs/dbraw/zinc/26/50/92/473265092.db2.gz ZWRWAULHPBQRIU-HZMBPMFUSA-N 0 2 328.324 2.595 20 5 EFBDLN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171092534 473282007 /nfs/dbraw/zinc/28/20/07/473282007.db2.gz ZBRURRKLCPXZNE-IAGOWNOFSA-N 0 2 342.351 2.951 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000083956225 473378166 /nfs/dbraw/zinc/37/81/66/473378166.db2.gz BKAVSXWGUYPNDI-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000083956180 473378503 /nfs/dbraw/zinc/37/85/03/473378503.db2.gz BJEBWMPFRHJUTR-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN COCCN(C[C@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000361413087 475430316 /nfs/dbraw/zinc/43/03/16/475430316.db2.gz OZYXKOIIMXICFF-ZDUSSCGKSA-N 0 2 334.372 2.745 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC)c1 ZINC000017920418 471966345 /nfs/dbraw/zinc/96/63/45/471966345.db2.gz LYFRBEOWMGJBDY-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(Cl)c(Cl)c2)[nH]1 ZINC000033475726 471983955 /nfs/dbraw/zinc/98/39/55/471983955.db2.gz PSBFCQQVNOWSIV-RQOWECAXSA-N 0 2 328.111 2.861 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000026546431 472142053 /nfs/dbraw/zinc/14/20/53/472142053.db2.gz RLTGBMQMVZOVQC-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000055576852 472207378 /nfs/dbraw/zinc/20/73/78/472207378.db2.gz AGFPMHRTCCBDTM-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1ccncc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000085235317 472234014 /nfs/dbraw/zinc/23/40/14/472234014.db2.gz LMHDPJNWDVBREZ-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000030530329 472337706 /nfs/dbraw/zinc/33/77/06/472337706.db2.gz AYQOBHQDZQAMIB-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccccc2)C1 ZINC000030646599 472343970 /nfs/dbraw/zinc/34/39/70/472343970.db2.gz SCEVJTPFKTWLPT-INIZCTEOSA-N 0 2 328.324 2.514 20 5 EFBDLN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000031309987 472372631 /nfs/dbraw/zinc/37/26/31/472372631.db2.gz YTBUKVFQICHZJK-JTQLQIEISA-N 0 2 343.339 2.750 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2cccc(F)c2)n1 ZINC000089531719 472457564 /nfs/dbraw/zinc/45/75/64/472457564.db2.gz WTPWWIHAPHTHPK-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531607 472457662 /nfs/dbraw/zinc/45/76/62/472457662.db2.gz VUJZUVFOLIUQQP-UHFFFAOYSA-N 0 2 341.327 2.521 20 5 EFBDLN CN(C)c1nc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2o1 ZINC000119177944 472533942 /nfs/dbraw/zinc/53/39/42/472533942.db2.gz ZPTKAZFPYWYRSO-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN Cc1n[nH]c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000090230453 472611653 /nfs/dbraw/zinc/61/16/53/472611653.db2.gz SDASCHNZRCHJQD-UHFFFAOYSA-N 0 2 344.780 2.697 20 5 EFBDLN O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccccc3)ccc2c1 ZINC000156175003 472674295 /nfs/dbraw/zinc/67/42/95/472674295.db2.gz FEUDTWIGDFBINJ-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN Cc1ccccc1OCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000104925672 472704013 /nfs/dbraw/zinc/70/40/13/472704013.db2.gz ACAQGQKHUMOHOQ-UHFFFAOYSA-N 0 2 330.340 2.808 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000072758317 472711024 /nfs/dbraw/zinc/71/10/24/472711024.db2.gz PIJZXGAKAOPYEH-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000078624360 472745275 /nfs/dbraw/zinc/74/52/75/472745275.db2.gz YGRKUKPLNYCGLQ-UHFFFAOYSA-N 0 2 334.303 2.720 20 5 EFBDLN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000078762794 472766302 /nfs/dbraw/zinc/76/63/02/472766302.db2.gz JAGPEHPODZHWKU-HNNXBMFYSA-N 0 2 333.388 2.844 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccccc2[nH]1 ZINC000105781542 472774334 /nfs/dbraw/zinc/77/43/34/472774334.db2.gz LVWMPFKOWXODOA-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1C ZINC000105781556 472774561 /nfs/dbraw/zinc/77/45/61/472774561.db2.gz XVZOUJOTDFTXFH-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)oc1C ZINC000121728377 472902042 /nfs/dbraw/zinc/90/20/42/472902042.db2.gz PDADKRWEADWZDZ-UHFFFAOYSA-N 0 2 327.300 2.842 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccco2)[nH]c1=O ZINC000092546513 472933266 /nfs/dbraw/zinc/93/32/66/472933266.db2.gz QARPJCUYUWKIDE-UHFFFAOYSA-N 0 2 341.279 2.501 20 5 EFBDLN O=C(COC/C=C/c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549044 472934033 /nfs/dbraw/zinc/93/40/33/472934033.db2.gz SZFHBMRSWVLOQX-QPJJXVBHSA-N 0 2 328.324 2.969 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065833839 473016674 /nfs/dbraw/zinc/01/66/74/473016674.db2.gz KYVKFCQIBXWAQE-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000135524453 473087263 /nfs/dbraw/zinc/08/72/63/473087263.db2.gz AOYNHCZINFZHKK-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1C ZINC000135528004 473088135 /nfs/dbraw/zinc/08/81/35/473088135.db2.gz OEIPYESQVXGEBM-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000160176038 473093518 /nfs/dbraw/zinc/09/35/18/473093518.db2.gz GVYCTRTWCOCWTE-UHFFFAOYSA-N 0 2 338.389 2.701 20 5 EFBDLN Cc1noc2ncc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)cc12 ZINC000135677036 473105054 /nfs/dbraw/zinc/10/50/54/473105054.db2.gz RODGMHRHDOMWDD-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000160395688 473116576 /nfs/dbraw/zinc/11/65/76/473116576.db2.gz FFWBQHMMZJLPPZ-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075161973 473143033 /nfs/dbraw/zinc/14/30/33/473143033.db2.gz KAMDPTCPOONLKZ-LBPRGKRZSA-N 0 2 330.340 2.806 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000093929328 473162616 /nfs/dbraw/zinc/16/26/16/473162616.db2.gz GPOYNFGRZCYAME-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCO[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000075357282 473174816 /nfs/dbraw/zinc/17/48/16/473174816.db2.gz AADLUYZAITVYBF-GJZGRUSLSA-N 0 2 334.372 2.768 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1COc1ccccc1 ZINC000113435051 473394451 /nfs/dbraw/zinc/39/44/51/473394451.db2.gz FTLJMQDYKFRYFV-AWEZNQCLSA-N 0 2 342.351 2.984 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000163903248 473471418 /nfs/dbraw/zinc/47/14/18/473471418.db2.gz OXGFJXCGOIDRBJ-UHFFFAOYSA-N 0 2 340.382 2.968 20 5 EFBDLN Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185684632 473487848 /nfs/dbraw/zinc/48/78/48/473487848.db2.gz IKLNZAYKOLLWFU-UHFFFAOYSA-N 0 2 332.360 2.875 20 5 EFBDLN COCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000191234747 473514553 /nfs/dbraw/zinc/51/45/53/473514553.db2.gz MVWMWEYMXSDXFG-UHFFFAOYSA-N 0 2 331.328 2.611 20 5 EFBDLN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126520567 473523837 /nfs/dbraw/zinc/52/38/37/473523837.db2.gz WSYCCWOBYGEVGC-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN COC[C@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000191418546 473537067 /nfs/dbraw/zinc/53/70/67/473537067.db2.gz KFLGSAFIESXBQQ-HNNXBMFYSA-N 0 2 344.367 2.630 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1 ZINC000126822709 473549411 /nfs/dbraw/zinc/54/94/11/473549411.db2.gz NLJHUOYFMZGABX-UHFFFAOYSA-N 0 2 336.373 2.776 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191901637 473587401 /nfs/dbraw/zinc/58/74/01/473587401.db2.gz MLTCVQXSWNCHHL-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1cnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)s1 ZINC000179517869 473692146 /nfs/dbraw/zinc/69/21/46/473692146.db2.gz JOZUJGCTYDCPDJ-CYBMUJFWSA-N 0 2 333.369 2.946 20 5 EFBDLN CN(CCOCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179543660 473693620 /nfs/dbraw/zinc/69/36/20/473693620.db2.gz CCYSQLREFPCONL-UHFFFAOYSA-N 0 2 330.340 2.589 20 5 EFBDLN CCSc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccn1 ZINC000187048037 473808497 /nfs/dbraw/zinc/80/84/97/473808497.db2.gz PQTKXGGFAKDLML-UHFFFAOYSA-N 0 2 333.369 2.737 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H](c2ccsc2)O1 ZINC000188199318 474016681 /nfs/dbraw/zinc/01/66/81/474016681.db2.gz SDQNEYPJQWGJCV-BMIGLBTASA-N 0 2 348.380 2.964 20 5 EFBDLN CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000270379713 474095350 /nfs/dbraw/zinc/09/53/50/474095350.db2.gz BTQUAGKJIVAFRG-UHFFFAOYSA-N 0 2 339.348 2.542 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1[C@@H]1CCCCC1=O ZINC000182090147 474097498 /nfs/dbraw/zinc/09/74/98/474097498.db2.gz RHIOHWFTZIRLRC-JSGCOSHPSA-N 0 2 332.356 2.664 20 5 EFBDLN C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182117955 474103886 /nfs/dbraw/zinc/10/38/86/474103886.db2.gz VMXSSYPLPUWMPT-JTQLQIEISA-N 0 2 346.314 2.831 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccccc21 ZINC000182158403 474111390 /nfs/dbraw/zinc/11/13/90/474111390.db2.gz RWPUZGZFXRQQLP-QMTHXVAHSA-N 0 2 328.324 2.595 20 5 EFBDLN CC(C)(C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000265424137 474207767 /nfs/dbraw/zinc/20/77/67/474207767.db2.gz KBLVMCMRDYRTEI-UHFFFAOYSA-N 0 2 342.402 2.545 20 5 EFBDLN CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000182635181 474222085 /nfs/dbraw/zinc/22/20/85/474222085.db2.gz VRLJEUBJTHFLKY-UHFFFAOYSA-N 0 2 344.367 2.714 20 5 EFBDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000270703247 474229348 /nfs/dbraw/zinc/22/93/48/474229348.db2.gz TVTPWLQCMSTUPM-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncc(Br)s1 ZINC000189354748 474370121 /nfs/dbraw/zinc/37/01/21/474370121.db2.gz ILMGABBVBOQKSG-UHFFFAOYSA-N 0 2 344.146 2.772 20 5 EFBDLN CNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1Cl ZINC000183441282 474379449 /nfs/dbraw/zinc/37/94/49/474379449.db2.gz QMJCAMTYFDRODL-UHFFFAOYSA-N 0 2 349.730 2.566 20 5 EFBDLN COC(=O)c1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000189936974 474511782 /nfs/dbraw/zinc/51/17/82/474511782.db2.gz KQMOJSFTQAGSEF-UHFFFAOYSA-N 0 2 341.279 2.804 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(O)c2)c2ncccc12 ZINC000184765871 474603372 /nfs/dbraw/zinc/60/33/72/474603372.db2.gz JBFXVQDLOUQAPV-UHFFFAOYSA-N 0 2 345.336 2.649 20 5 EFBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NO[C@@H]1CCCCO1 ZINC000273149694 474742854 /nfs/dbraw/zinc/74/28/54/474742854.db2.gz WXKWJFUKSLYMBT-CYBMUJFWSA-N 0 2 346.792 2.915 20 5 EFBDLN COC(=O)C12CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3O)(CC1)CC2 ZINC000293274692 474903263 /nfs/dbraw/zinc/90/32/63/474903263.db2.gz CHJZJOCDMZOCPO-UHFFFAOYSA-N 0 2 348.355 2.753 20 5 EFBDLN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1O ZINC000613866166 480134792 /nfs/dbraw/zinc/13/47/92/480134792.db2.gz MFAILFUVWDQSJH-UHFFFAOYSA-N 0 2 330.296 2.714 20 5 EFBDLN Cc1cc(F)cc2c1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000337517845 475089267 /nfs/dbraw/zinc/08/92/67/475089267.db2.gz ROBSKFYIMCDIEQ-UHFFFAOYSA-N 0 2 330.315 2.946 20 5 EFBDLN CN(CCCOCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000281191036 475108713 /nfs/dbraw/zinc/10/87/13/475108713.db2.gz CUALSZWIYDMTHI-UHFFFAOYSA-N 0 2 344.367 2.979 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000337794433 475329851 /nfs/dbraw/zinc/32/98/51/475329851.db2.gz CJSVFSSLFNLAMM-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345658841 475344024 /nfs/dbraw/zinc/34/40/24/475344024.db2.gz VCTSBZMNIKVQFK-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN CC(C)CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000345680243 475360977 /nfs/dbraw/zinc/36/09/77/475360977.db2.gz ZBIYYOCBOVMBPF-UHFFFAOYSA-N 0 2 338.389 2.707 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1COc1ccccc1 ZINC000296984701 475563790 /nfs/dbraw/zinc/56/37/90/475563790.db2.gz RFGXRQCEBYLPIG-AWEZNQCLSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000361659443 475639964 /nfs/dbraw/zinc/63/99/64/475639964.db2.gz HOWRNEHZCUZGMY-UHFFFAOYSA-N 0 2 344.352 2.908 20 5 EFBDLN Cc1nn(CC(F)F)c(C)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000355122823 475683508 /nfs/dbraw/zinc/68/35/08/475683508.db2.gz IRYPOBKMOPJCPT-UHFFFAOYSA-N 0 2 340.286 2.631 20 5 EFBDLN COc1cc(C(=O)Nc2cc(C(C)=O)ccc2O)ccc1[N+](=O)[O-] ZINC000358527320 475748235 /nfs/dbraw/zinc/74/82/35/475748235.db2.gz IRAICICGEAFGAL-UHFFFAOYSA-N 0 2 330.296 2.764 20 5 EFBDLN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cccn[nH]1 ZINC000346779753 475853499 /nfs/dbraw/zinc/85/34/99/475853499.db2.gz RHBWFWZEWVVRQR-UHFFFAOYSA-N 0 2 332.385 2.951 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000358792835 475941754 /nfs/dbraw/zinc/94/17/54/475941754.db2.gz XCFUGMDGCVCWMG-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000340544926 476099356 /nfs/dbraw/zinc/09/93/56/476099356.db2.gz NMXTYJBDNYIMAF-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)s1 ZINC000336850882 476140101 /nfs/dbraw/zinc/14/01/01/476140101.db2.gz ZXKYOBKPLDVEDA-UHFFFAOYSA-N 0 2 328.371 2.780 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(C(F)(F)F)cn1 ZINC000336871532 476153826 /nfs/dbraw/zinc/15/38/26/476153826.db2.gz GGBLCGZQVIXERH-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000340725781 476233933 /nfs/dbraw/zinc/23/39/33/476233933.db2.gz JCDYQRIZRZZLBV-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN CCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000350636670 476276086 /nfs/dbraw/zinc/27/60/86/476276086.db2.gz PQDOQIHDLWSZNM-UHFFFAOYSA-N 0 2 328.284 2.811 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)ccc1[N+](=O)[O-] ZINC000357325366 476332168 /nfs/dbraw/zinc/33/21/68/476332168.db2.gz CIMRTKHUNJSPBY-UHFFFAOYSA-N 0 2 349.324 2.551 20 5 EFBDLN COc1cc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(OC)c1 ZINC000354164681 476472600 /nfs/dbraw/zinc/47/26/00/476472600.db2.gz RBHWRGYBKJBORZ-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN CCOc1ccc(OC)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357610825 476488338 /nfs/dbraw/zinc/48/83/38/476488338.db2.gz AMFKMOLCHXKTQF-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN CCOc1ccc2c(c1)CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000354220713 476513556 /nfs/dbraw/zinc/51/35/56/476513556.db2.gz SMNXWQGJVIMMJP-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000446494941 476879344 /nfs/dbraw/zinc/87/93/44/476879344.db2.gz YPFIQCWOISYTOC-MRXNPFEDSA-N 0 2 330.340 2.808 20 5 EFBDLN CC(C)(NC(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000448153322 477139132 /nfs/dbraw/zinc/13/91/32/477139132.db2.gz FNIFUONFEGZKPH-UHFFFAOYSA-N 0 2 341.371 2.741 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC=C(c2ccncc2)C1 ZINC000436531224 477506046 /nfs/dbraw/zinc/50/60/46/477506046.db2.gz OPCALZKJJKTGPX-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN COc1ccc(NC(C)=O)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436635634 477538808 /nfs/dbraw/zinc/53/88/08/477538808.db2.gz USBXPTSLKOIHHX-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN COc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1NC(C)=O ZINC000436638197 477541242 /nfs/dbraw/zinc/54/12/42/477541242.db2.gz FGMJVWIHQCCTSS-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN O=C(NCC1(c2cccc(F)c2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436668606 477551223 /nfs/dbraw/zinc/55/12/23/477551223.db2.gz DAVSOLIQCNAFFM-UHFFFAOYSA-N 0 2 330.315 2.901 20 5 EFBDLN O=C(N[C@@H]1CCCOc2ccccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436672039 477553095 /nfs/dbraw/zinc/55/30/95/477553095.db2.gz XTERFBBVMNJKKT-CQSZACIVSA-N 0 2 328.324 2.944 20 5 EFBDLN O=C(NCc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436673795 477553418 /nfs/dbraw/zinc/55/34/18/477553418.db2.gz MLGQXNVKKYFHRA-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1cccc(F)c1 ZINC000436672744 477553469 /nfs/dbraw/zinc/55/34/69/477553469.db2.gz ZVLIRIQKJDBZJF-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN O=C(NCCc1ccc(Cl)s1)c1cc([N+](=O)[O-])ccc1O ZINC000436675992 477555936 /nfs/dbraw/zinc/55/59/36/477555936.db2.gz ZFSVMAFWWBYWSC-UHFFFAOYSA-N 0 2 326.761 2.988 20 5 EFBDLN Cc1c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2nn1C ZINC000436842037 477609175 /nfs/dbraw/zinc/60/91/75/477609175.db2.gz WLFAEHCQVWKYSC-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN COc1cccc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000436862683 477617182 /nfs/dbraw/zinc/61/71/82/477617182.db2.gz GAAJFMVMMAMGIB-UHFFFAOYSA-N 0 2 328.324 2.728 20 5 EFBDLN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436868797 477619414 /nfs/dbraw/zinc/61/94/14/477619414.db2.gz KFOJKUXLNHNUJU-AWEZNQCLSA-N 0 2 344.323 2.720 20 5 EFBDLN CN(CCCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436867634 477620329 /nfs/dbraw/zinc/62/03/29/477620329.db2.gz DQDGVHGEYLOAPR-UHFFFAOYSA-N 0 2 343.383 2.947 20 5 EFBDLN Cc1nc(C2(NC(=O)c3ccc([N+](=O)[O-])cc3O)CCCCC2)no1 ZINC000436871372 477620488 /nfs/dbraw/zinc/62/04/88/477620488.db2.gz RZJDAPPRCAGWAI-UHFFFAOYSA-N 0 2 346.343 2.581 20 5 EFBDLN COc1cc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC000436868625 477620665 /nfs/dbraw/zinc/62/06/65/477620665.db2.gz AUTQFWQWYUGUEJ-UHFFFAOYSA-N 0 2 330.340 2.590 20 5 EFBDLN CC(=O)c1ccc(O)c(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000436875007 477621022 /nfs/dbraw/zinc/62/10/22/477621022.db2.gz BPSMKDWTBOTDEW-UHFFFAOYSA-N 0 2 340.295 2.632 20 5 EFBDLN COc1ccc(NC(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436871947 477622042 /nfs/dbraw/zinc/62/20/42/477622042.db2.gz VDJMBZRFENCJNN-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN CCNC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436871914 477622293 /nfs/dbraw/zinc/62/22/93/477622293.db2.gz URNQNZSXKBVGQD-UHFFFAOYSA-N 0 2 344.327 2.694 20 5 EFBDLN Cc1cc(=O)c2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000436872963 477622476 /nfs/dbraw/zinc/62/24/76/477622476.db2.gz YGTQELPIEKCXLZ-UHFFFAOYSA-N 0 2 339.307 2.703 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc([S@@](C)=O)cc1 ZINC000436900514 477629293 /nfs/dbraw/zinc/62/92/93/477629293.db2.gz NURADIXFBPAUBG-CCGUKBGLSA-N 0 2 348.380 2.529 20 5 EFBDLN O=C(NCc1ccnc(OC2CCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436899550 477629425 /nfs/dbraw/zinc/62/94/25/477629425.db2.gz KNNYMFSESLNPHL-UHFFFAOYSA-N 0 2 343.339 2.557 20 5 EFBDLN O=C(NCCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1O ZINC000436922139 477635128 /nfs/dbraw/zinc/63/51/28/477635128.db2.gz YYYZCAFAGRETDY-UHFFFAOYSA-N 0 2 340.257 2.690 20 5 EFBDLN O=c1cc(C=Cc2ccc(O)c([N+](=O)[O-])c2)nc(-c2ccncc2)[nH]1 ZINC000436936839 477641943 /nfs/dbraw/zinc/64/19/43/477641943.db2.gz ZRAPXAGXXXSAPU-HNQUOIGGSA-N 0 2 336.307 2.616 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000377099907 477643712 /nfs/dbraw/zinc/64/37/12/477643712.db2.gz YJRIAVZCTIUIFE-MRVPVSSYSA-N 0 2 336.735 2.736 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377102065 477645482 /nfs/dbraw/zinc/64/54/82/477645482.db2.gz WIXDBTWSVSPDPO-GLEZIHRCSA-N 0 2 332.287 2.692 20 5 EFBDLN COC(=O)c1c(C)cccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436946747 477645952 /nfs/dbraw/zinc/64/59/52/477645952.db2.gz BQPROTQPIUGJCF-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN O=C(NCCc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1O ZINC000436952452 477646049 /nfs/dbraw/zinc/64/60/49/477646049.db2.gz WNRRFUBWFWTFJX-UHFFFAOYSA-N 0 2 337.335 2.821 20 5 EFBDLN COC(=O)CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436961222 477648718 /nfs/dbraw/zinc/64/87/18/477648718.db2.gz MBPQPNBEQQHGKU-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN COCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000436962810 477651337 /nfs/dbraw/zinc/65/13/37/477651337.db2.gz XVEDFWQWPMQCSQ-ZDUSSCGKSA-N 0 2 334.328 2.709 20 5 EFBDLN Cc1cccc2oc(CCNC(=O)c3ccc([N+](=O)[O-])cc3O)nc21 ZINC000436977502 477655759 /nfs/dbraw/zinc/65/57/59/477655759.db2.gz DOFJGRQSKVWNMO-UHFFFAOYSA-N 0 2 341.323 2.723 20 5 EFBDLN O=C(NCC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000367801429 477697106 /nfs/dbraw/zinc/69/71/06/477697106.db2.gz IEFASHFZCPPKJO-UHFFFAOYSA-N 0 2 327.340 2.547 20 5 EFBDLN CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000377216114 477697209 /nfs/dbraw/zinc/69/72/09/477697209.db2.gz RVRWVQKLQDJTPI-CQSZACIVSA-N 0 2 344.371 2.884 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000372248384 477713657 /nfs/dbraw/zinc/71/36/57/477713657.db2.gz RLJBHOXVDGPKIS-HNNXBMFYSA-N 0 2 342.351 2.984 20 5 EFBDLN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000437610055 477727529 /nfs/dbraw/zinc/72/75/29/477727529.db2.gz BIJJXLDJGZAHDZ-LLVKDONJSA-N 0 2 345.355 3.000 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1C ZINC000438224827 477811019 /nfs/dbraw/zinc/81/10/19/477811019.db2.gz JGNHQUYCERNVCG-UHFFFAOYSA-N 0 2 338.389 2.606 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1C ZINC000438258937 477814060 /nfs/dbraw/zinc/81/40/60/477814060.db2.gz SRVPTKKFHRLMPK-UHFFFAOYSA-N 0 2 338.389 2.606 20 5 EFBDLN CC(C)c1ncsc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451103638 477824914 /nfs/dbraw/zinc/82/49/14/477824914.db2.gz CCJGZGFXTQSISH-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN Cc1cc(=NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)[nH]nc1C ZINC000494068438 477915822 /nfs/dbraw/zinc/91/58/22/477915822.db2.gz HKQQUIQQIHMJGA-UHFFFAOYSA-N 0 2 341.371 2.620 20 5 EFBDLN O=C(NC1CCc2ccccc2CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000456465785 477944135 /nfs/dbraw/zinc/94/41/35/477944135.db2.gz WNHLWURSJSRBIP-UHFFFAOYSA-N 0 2 326.352 2.978 20 5 EFBDLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421165191 477992306 /nfs/dbraw/zinc/99/23/06/477992306.db2.gz LRFQYAMLEZGFSK-ZDUSSCGKSA-N 0 2 334.369 2.537 20 5 EFBDLN Cc1cccc2oc(CCNC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000439561456 478001410 /nfs/dbraw/zinc/00/14/10/478001410.db2.gz IBTVHCVPXNLLOR-UHFFFAOYSA-N 0 2 341.323 2.723 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)cc1F ZINC000440284851 478101735 /nfs/dbraw/zinc/10/17/35/478101735.db2.gz SWYMCMMRKNOBAW-UHFFFAOYSA-N 0 2 344.295 2.688 20 5 EFBDLN COC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000495271200 478158428 /nfs/dbraw/zinc/15/84/28/478158428.db2.gz PUNQDEDLKCUQAS-UHFFFAOYSA-N 0 2 345.311 2.755 20 5 EFBDLN O=C(Nc1ccc(N2CCOC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000495302611 478167657 /nfs/dbraw/zinc/16/76/57/478167657.db2.gz SJERMZQXHGLVKX-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN COC(=O)Nc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000495578980 478236362 /nfs/dbraw/zinc/23/63/62/478236362.db2.gz OXERHBTUBGVRBE-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000579364434 478281544 /nfs/dbraw/zinc/28/15/44/478281544.db2.gz IOZZQNCKYQFZES-ZDUSSCGKSA-N 0 2 348.359 2.576 20 5 EFBDLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000579364434 478281548 /nfs/dbraw/zinc/28/15/48/478281548.db2.gz IOZZQNCKYQFZES-ZDUSSCGKSA-N 0 2 348.359 2.576 20 5 EFBDLN CC(C)(CO)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000597577038 478416968 /nfs/dbraw/zinc/41/69/68/478416968.db2.gz FTGCIIUFLVSZIG-INIZCTEOSA-N 0 2 344.367 2.790 20 5 EFBDLN Cc1cc(NC[C@H](C(=O)[O-])C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594541734 478430874 /nfs/dbraw/zinc/43/08/74/478430874.db2.gz YMCGJNCRHAWASS-AWEZNQCLSA-N 0 2 344.371 2.551 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000564329542 478726443 /nfs/dbraw/zinc/72/64/43/478726443.db2.gz XUHXKOYBABUJSL-UHFFFAOYSA-N 0 2 347.396 2.842 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([C@H]2CCCCO2)CC1 ZINC000598304504 478755602 /nfs/dbraw/zinc/75/56/02/478755602.db2.gz HYUBYFRUPCGXPE-MRXNPFEDSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598306209 478756416 /nfs/dbraw/zinc/75/64/16/478756416.db2.gz MVVXTNXLOHSLSA-BBRMVZONSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598305860 478756809 /nfs/dbraw/zinc/75/68/09/478756809.db2.gz DMMHNBMFGWAUHS-LRDDRELGSA-N 0 2 334.372 2.722 20 5 EFBDLN C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000564662756 478782294 /nfs/dbraw/zinc/78/22/94/478782294.db2.gz VQQVZMGAEFONIX-IAQYHMDHSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C(=O)[O-])C1 ZINC000564662756 478782301 /nfs/dbraw/zinc/78/23/01/478782301.db2.gz VQQVZMGAEFONIX-IAQYHMDHSA-N 0 2 345.355 2.935 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000572602159 478878698 /nfs/dbraw/zinc/87/86/98/478878698.db2.gz JRVAGBORVRFYNX-UHFFFAOYSA-N 0 2 338.389 2.805 20 5 EFBDLN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000572728409 478906629 /nfs/dbraw/zinc/90/66/29/478906629.db2.gz NTDKXNYLCGPZFQ-CYBMUJFWSA-N 0 2 348.359 2.576 20 5 EFBDLN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000572728409 478906636 /nfs/dbraw/zinc/90/66/36/478906636.db2.gz NTDKXNYLCGPZFQ-CYBMUJFWSA-N 0 2 348.359 2.576 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccn(C(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000598715149 478988005 /nfs/dbraw/zinc/98/80/05/478988005.db2.gz WANPNLKRFWXSIB-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595885871 479051361 /nfs/dbraw/zinc/05/13/61/479051361.db2.gz KHCRHSZWAPCCJB-UHFFFAOYSA-N 0 2 348.359 2.578 20 5 EFBDLN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595885871 479051367 /nfs/dbraw/zinc/05/13/67/479051367.db2.gz KHCRHSZWAPCCJB-UHFFFAOYSA-N 0 2 348.359 2.578 20 5 EFBDLN O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1CC(F)(F)C(F)(F)F ZINC000601941327 479083607 /nfs/dbraw/zinc/08/36/07/479083607.db2.gz XHCLRMUDUGKIFQ-UHFFFAOYSA-N 0 2 337.204 2.729 20 5 EFBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1CC(F)(F)C(F)(F)F ZINC000601941327 479083614 /nfs/dbraw/zinc/08/36/14/479083614.db2.gz XHCLRMUDUGKIFQ-UHFFFAOYSA-N 0 2 337.204 2.729 20 5 EFBDLN Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976996 479113085 /nfs/dbraw/zinc/11/30/85/479113085.db2.gz VVSWXLGGBWOTQX-LBPRGKRZSA-N 0 2 342.355 2.687 20 5 EFBDLN Cc1cn2c([nH+]1)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CCC2 ZINC000592976705 479113443 /nfs/dbraw/zinc/11/34/43/479113443.db2.gz JFYBMRNHDBCTLE-LBPRGKRZSA-N 0 2 330.344 2.787 20 5 EFBDLN CCCc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000515383733 479158700 /nfs/dbraw/zinc/15/87/00/479158700.db2.gz UWVVFRRDOGOUEG-UHFFFAOYSA-N 0 2 327.387 2.805 20 5 EFBDLN CC(C)Cn1cc[nH+]c1CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000584532570 479168591 /nfs/dbraw/zinc/16/85/91/479168591.db2.gz XMVWVURRWQFCSY-UHFFFAOYSA-N 0 2 332.360 2.687 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000593553654 479386125 /nfs/dbraw/zinc/38/61/25/479386125.db2.gz PMLKZZYYAJKUDS-NXEZZACHSA-N 0 2 348.277 2.987 20 5 EFBDLN C[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000593747726 479444710 /nfs/dbraw/zinc/44/47/10/479444710.db2.gz AELWGZBDEWGCFG-UHFFFAOYSA-N 0 2 336.369 2.752 20 5 EFBDLN C[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000593747726 479444718 /nfs/dbraw/zinc/44/47/18/479444718.db2.gz AELWGZBDEWGCFG-UHFFFAOYSA-N 0 2 336.369 2.752 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(F)c1C ZINC000619467398 479802492 /nfs/dbraw/zinc/80/24/92/479802492.db2.gz FKIZEGZPOVOTDQ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(NCc1c(F)c(F)cc(F)c1F)c1ccc([N+](=O)[O-])cc1O ZINC000613980855 480159873 /nfs/dbraw/zinc/15/98/73/480159873.db2.gz INDSIQMFJXZENB-UHFFFAOYSA-N 0 2 344.220 2.787 20 5 EFBDLN COc1ccc2c(c1)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000614032339 480171791 /nfs/dbraw/zinc/17/17/91/480171791.db2.gz JMVXRNLBEZXQER-ZDUSSCGKSA-N 0 2 342.351 2.596 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000610657443 480355853 /nfs/dbraw/zinc/35/58/53/480355853.db2.gz WHNUAVOEBSJKCZ-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000192759818 522615064 /nfs/dbraw/zinc/61/50/64/522615064.db2.gz YDLJHOQITIIKMF-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1cccc([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000182124306 524892386 /nfs/dbraw/zinc/89/23/86/524892386.db2.gz BZTCRAOFBWHXBI-OAHLLOKOSA-N 0 2 327.340 2.981 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2[nH]cnc21 ZINC000177676753 525572509 /nfs/dbraw/zinc/57/25/09/525572509.db2.gz KJJUITDYRRMLOL-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C2 ZINC000089531192 525594183 /nfs/dbraw/zinc/59/41/83/525594183.db2.gz DBOOKSQLVDLPKH-MRXNPFEDSA-N 0 2 328.324 2.859 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2)c(C(F)(F)F)c1 ZINC000162322070 534882871 /nfs/dbraw/zinc/88/28/71/534882871.db2.gz HGWTYKKQFIXECC-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000116603612 526045142 /nfs/dbraw/zinc/04/51/42/526045142.db2.gz HOWGMWOOBPYUQQ-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN O=C(NCCOc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060705709 526361788 /nfs/dbraw/zinc/36/17/88/526361788.db2.gz GUBYHSXQRUXSJH-UHFFFAOYSA-N 0 2 336.731 2.763 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000181966800 526629560 /nfs/dbraw/zinc/62/95/60/526629560.db2.gz XLLAWXADQXHJMS-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccccc2F)C1 ZINC000179475193 526629701 /nfs/dbraw/zinc/62/97/01/526629701.db2.gz UTIOLFPBHJAXKM-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(NC(=O)C2CC2)c1 ZINC000089540781 527131913 /nfs/dbraw/zinc/13/19/13/527131913.db2.gz PETWQXAVUYILOI-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000195437918 527390969 /nfs/dbraw/zinc/39/09/69/527390969.db2.gz GJKKCUFXHLTUDU-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-n2cc[nH+]c2)c1 ZINC000116602163 527405314 /nfs/dbraw/zinc/40/53/14/527405314.db2.gz RKUFMJHDBSKWLU-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000090166893 527405775 /nfs/dbraw/zinc/40/57/75/527405775.db2.gz JVWKWBDLZHASBE-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN CC(C)n1ncc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc21 ZINC000356326398 535136699 /nfs/dbraw/zinc/13/66/99/535136699.db2.gz YVJIEXSDBSXGIH-UHFFFAOYSA-N 0 2 341.327 2.878 20 5 EFBDLN O=C(COC(=O)c1cc(F)c(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000759539745 575897070 /nfs/dbraw/zinc/89/70/70/575897070.db2.gz LDWZYIYEGRJYIM-UHFFFAOYSA-N 0 2 337.234 2.618 20 5 EFBDLN O=C(OCCOc1ccccc1[N+](=O)[O-])c1cc(F)c(O)c(F)c1 ZINC000759543016 575897679 /nfs/dbraw/zinc/89/76/79/575897679.db2.gz HVRVMSACOOZSQA-UHFFFAOYSA-N 0 2 339.250 2.814 20 5 EFBDLN COc1cccc(C)c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000766572296 577167776 /nfs/dbraw/zinc/16/77/76/577167776.db2.gz ZUOLXLAORQQSRF-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000768859621 577311041 /nfs/dbraw/zinc/31/10/41/577311041.db2.gz YUEXYJIXAYKYIZ-UHFFFAOYSA-N 0 2 331.400 2.574 20 5 EFBDLN Cc1nc([N+](=O)[O-])c(-c2noc(-c3cccc(Cl)c3O)n2)n1C ZINC000771462223 581214601 /nfs/dbraw/zinc/21/46/01/581214601.db2.gz GJOSOYSPXWBTTK-UHFFFAOYSA-N 0 2 335.707 2.713 20 5 EFBDLN CC(C)n1cc2c(n1)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000773745173 581460572 /nfs/dbraw/zinc/46/05/72/581460572.db2.gz XSVXRGLOAHDIIE-CQSZACIVSA-N 0 2 344.371 2.885 20 5 EFBDLN CO[C@H]1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2C1 ZINC000773908160 581473193 /nfs/dbraw/zinc/47/31/93/581473193.db2.gz CBTYUCGIDKQKBO-AWEZNQCLSA-N 0 2 328.324 2.666 20 5 EFBDLN Cc1cc(NCCc2cn3ccccc3[nH+]2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897244 601545278 /nfs/dbraw/zinc/54/52/78/601545278.db2.gz NIXQWQZDXXLQFI-UHFFFAOYSA-N 0 2 340.339 2.904 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc3ocnc32)cc1[N+](=O)[O-] ZINC000790005011 1277164678 /nfs/dbraw/zinc/16/46/78/1277164678.db2.gz NACMGBWCNPWQLJ-UHFFFAOYSA-N 0 2 349.324 2.545 20 5 EFBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc([N+](=O)[O-])c1C ZINC000790820314 1277798014 /nfs/dbraw/zinc/79/80/14/1277798014.db2.gz ZKWCSJUYCNXGIB-UHFFFAOYSA-N 0 2 347.283 2.778 20 5 EFBDLN CCOC(=O)/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccnc(F)c1 ZINC000812247545 1284999987 /nfs/dbraw/zinc/99/99/87/1284999987.db2.gz PSESPJVSOSZMLO-KPKJPENVSA-N 0 2 332.287 2.938 20 5 EFBDLN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000129738385 1293248915 /nfs/dbraw/zinc/24/89/15/1293248915.db2.gz DZXGHAZVIICDRI-WUXMJOGZSA-N 0 2 328.255 2.784 20 5 EFBDLN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1O ZINC000775647506 1293869235 /nfs/dbraw/zinc/86/92/35/1293869235.db2.gz WNVDVGJMMBRDQA-UHFFFAOYSA-N 0 2 335.747 2.796 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cccc(Cl)c1O ZINC000775666315 1293981225 /nfs/dbraw/zinc/98/12/25/1293981225.db2.gz VSBPRFLUJSFSPO-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN Cc1ccc(-c2noc(-c3[nH]nc(C(F)(F)F)c3[N+](=O)[O-])n2)nc1 ZINC001212972753 1297322646 /nfs/dbraw/zinc/32/26/46/1297322646.db2.gz IDTBOEQNWZKFFW-UHFFFAOYSA-N 0 2 340.221 2.757 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(Cl)nc2ccccn21 ZINC000089531614 1300824967 /nfs/dbraw/zinc/82/49/67/1300824967.db2.gz XVGAJRVNNGLLTM-UHFFFAOYSA-N 0 2 332.703 2.854 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000753779962 1311178814 /nfs/dbraw/zinc/17/88/14/1311178814.db2.gz JZRIZNNAOBICNN-UHFFFAOYSA-N 0 2 334.303 2.720 20 5 EFBDLN CCOC(=O)[C@H](C)[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C(F)(F)F ZINC001225623569 1311555608 /nfs/dbraw/zinc/55/56/08/1311555608.db2.gz PYPKJXQSDHWHJV-RDDDGLTNSA-N 0 2 337.250 2.809 20 5 EFBDLN O=[N+]([O-])C[C@H](Oc1c(F)c(F)c(O)c(F)c1F)c1cccnc1 ZINC001225879917 1311585372 /nfs/dbraw/zinc/58/53/72/1311585372.db2.gz PJVYUOWARNFXIM-ZETCQYMHSA-N 0 2 332.209 2.740 20 5 EFBDLN Cc1nc(OC2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)c(=O)[nH]1 ZINC001226425475 1311665837 /nfs/dbraw/zinc/66/58/37/1311665837.db2.gz WYMRFANMCZICFO-UHFFFAOYSA-N 0 2 348.334 2.586 20 5 EFBDLN COc1ccc([C@@H](C)Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC001227625128 1311832659 /nfs/dbraw/zinc/83/26/59/1311832659.db2.gz PXVUJXKXNQXRQC-MRVPVSSYSA-N 0 2 337.357 2.961 20 5 EFBDLN CSc1nc(O[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625499 1311832781 /nfs/dbraw/zinc/83/27/81/1311832781.db2.gz YKJHAUOIJXMFTC-JTQLQIEISA-N 0 2 335.341 2.715 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC[C@H]4CCCCO4)c3nc2cc1C ZINC001228687457 1311982427 /nfs/dbraw/zinc/98/24/27/1311982427.db2.gz XFFKSCCORWDBMG-GFCCVEGCSA-N 0 2 340.383 2.843 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCCCC4=O)c3nc2cc1C ZINC001228687828 1311982719 /nfs/dbraw/zinc/98/27/19/1311982719.db2.gz ZKSOZNJUKJDZCJ-CQSZACIVSA-N 0 2 338.367 2.786 20 5 EFBDLN COc1cccc2c1[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CCO2 ZINC001228969761 1312028953 /nfs/dbraw/zinc/02/89/53/1312028953.db2.gz CBYHIUMWTQTVNQ-ZDUSSCGKSA-N 0 2 333.296 2.917 20 5 EFBDLN COC(=O)C[C@@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972635 1312030094 /nfs/dbraw/zinc/03/00/94/1312030094.db2.gz BDIIUDKJDIQFIK-KOLCDFICSA-N 0 2 325.317 2.507 20 5 EFBDLN COC(=O)C[C@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972634 1312030130 /nfs/dbraw/zinc/03/01/30/1312030130.db2.gz BDIIUDKJDIQFIK-GXSJLCMTSA-N 0 2 325.317 2.507 20 5 EFBDLN CC(C)Oc1cc(COc2cc(O)cc(O)c2[N+](=O)[O-])c(F)cn1 ZINC001228973515 1312030445 /nfs/dbraw/zinc/03/04/45/1312030445.db2.gz KDRKLAWLYJHKFS-UHFFFAOYSA-N 0 2 338.291 2.906 20 5 EFBDLN CCCSc1nc(OC[C@@H]2CC[C@H](C)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229794550 1312140352 /nfs/dbraw/zinc/14/03/52/1312140352.db2.gz BCANRLCYXKDPRF-IUCAKERBSA-N 0 2 329.378 2.539 20 5 EFBDLN CCCSc1nc(O[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793388 1312140478 /nfs/dbraw/zinc/14/04/78/1312140478.db2.gz ZLDHVQMYPHOIAZ-RKDXNWHRSA-N 0 2 329.378 2.539 20 5 EFBDLN CCCSc1nc(O[C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791002 1312140494 /nfs/dbraw/zinc/14/04/94/1312140494.db2.gz FCVYHBAZDRZTIR-UWVGGRQHSA-N 0 2 343.405 2.929 20 5 EFBDLN CCCSc1nc(OC[C@@H]2CCC=CO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229795841 1312141393 /nfs/dbraw/zinc/14/13/93/1312141393.db2.gz HWELMFVBPHZYEG-VIFPVBQESA-N 0 2 327.362 2.664 20 5 EFBDLN COc1nc(Nc2c(C)c(=O)[nH]n2-c2ccccc2)ccc1[N+](=O)[O-] ZINC001163110109 1312243095 /nfs/dbraw/zinc/24/30/95/1312243095.db2.gz VSPIANFWMPDGKO-UHFFFAOYSA-N 0 2 341.327 2.942 20 5 EFBDLN COc1ncc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)cc1C ZINC001247986382 1314878229 /nfs/dbraw/zinc/87/82/29/1314878229.db2.gz BGOFUBDQLGEBPN-UHFFFAOYSA-N 0 2 342.311 2.653 20 5 EFBDLN O=[N+]([O-])c1cc(Cc2nc(-c3ccc4nccnc4c3)no2)ccc1O ZINC001247986418 1314878304 /nfs/dbraw/zinc/87/83/04/1314878304.db2.gz BTFOOWQEOQCVHM-UHFFFAOYSA-N 0 2 349.306 2.884 20 5 EFBDLN Cc1nc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)ccc1F ZINC001247987794 1314878751 /nfs/dbraw/zinc/87/87/51/1314878751.db2.gz QOEMLOOJDNXIRZ-UHFFFAOYSA-N 0 2 330.275 2.784 20 5 EFBDLN COc1ccc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)cc1 ZINC001247990146 1314879143 /nfs/dbraw/zinc/87/91/43/1314879143.db2.gz SRRFQDUXVGBDFD-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN COc1nccc(C)c1-c1noc(Cc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001247987790 1314879151 /nfs/dbraw/zinc/87/91/51/1314879151.db2.gz QMSADYAITUQETM-UHFFFAOYSA-N 0 2 342.311 2.653 20 5 EFBDLN COc1cccc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)n1 ZINC001216859515 1315016409 /nfs/dbraw/zinc/01/64/09/1315016409.db2.gz ZDFKZAUNEZNVNU-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cn1c2cc3nc[nH]c(=O)c3cc2nc1-c1cc(O)ccc1[N+](=O)[O-] ZINC001250854667 1315280147 /nfs/dbraw/zinc/28/01/47/1315280147.db2.gz WLKSXELRMPZCAS-UHFFFAOYSA-N 0 2 337.295 2.503 20 5 EFBDLN COc1cc(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc([N+](=O)[O-])c1O ZINC001250874465 1315285327 /nfs/dbraw/zinc/28/53/27/1315285327.db2.gz KUMTYGCIKLTPSW-UHFFFAOYSA-N 0 2 342.311 2.811 20 5 EFBDLN COc1ccc(-c2nnc(Cc3ccc(O)c([N+](=O)[O-])c3)o2)cc1 ZINC001251973889 1315396590 /nfs/dbraw/zinc/39/65/90/1315396590.db2.gz SZGOOMMPMLRONV-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC001320375645 1329118783 /nfs/dbraw/zinc/11/87/83/1329118783.db2.gz XFKGVLGBQKUQAQ-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001340017487 1332128349 /nfs/dbraw/zinc/12/83/49/1332128349.db2.gz MLYSCUBIYZOTAL-CMPLNLGQSA-N 0 2 331.376 2.721 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCCCCC1 ZINC001341307789 1332250565 /nfs/dbraw/zinc/25/05/65/1332250565.db2.gz AEPVCBDWZKASCJ-UHFFFAOYSA-N 0 2 331.376 2.959 20 5 EFBDLN Cc1coc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1C ZINC001346448293 1332642716 /nfs/dbraw/zinc/64/27/16/1332642716.db2.gz YEVPDMFKKQWIIS-UHFFFAOYSA-N 0 2 327.300 2.842 20 5 EFBDLN C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821610037 1429862868 /nfs/dbraw/zinc/86/28/68/1429862868.db2.gz XRSYHRDTUXQTNZ-UHFFFAOYSA-N 0 2 342.334 2.546 20 5 EFBDLN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000821610037 1429862871 /nfs/dbraw/zinc/86/28/71/1429862871.db2.gz XRSYHRDTUXQTNZ-UHFFFAOYSA-N 0 2 342.334 2.546 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120073415 712908284 /nfs/dbraw/zinc/90/82/84/712908284.db2.gz HCNJIVPUPUWVRP-UHFFFAOYSA-N 0 2 326.355 2.660 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000120078142 712908638 /nfs/dbraw/zinc/90/86/38/712908638.db2.gz RBBRSJIGEZLHCM-UHFFFAOYSA-N 0 2 343.342 2.674 20 5 EFBDLN Cc1c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000120087903 712912230 /nfs/dbraw/zinc/91/22/30/712912230.db2.gz NSXPBXKSVKPSSL-UHFFFAOYSA-N 0 2 343.342 2.674 20 5 EFBDLN COc1cc(C)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120204289 713000854 /nfs/dbraw/zinc/00/08/54/713000854.db2.gz IPYQREQNFOSSCF-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000180774519 718374294 /nfs/dbraw/zinc/37/42/94/718374294.db2.gz LBGLHCJWRYUNFZ-HNNXBMFYSA-N 0 2 345.286 2.571 20 5 EFBDLN CC(C)(C(=O)NOCc1ccccn1)c1ccc([N+](=O)[O-])cc1F ZINC000909539638 723551558 /nfs/dbraw/zinc/55/15/58/723551558.db2.gz GXUQGUVMTCSPQG-UHFFFAOYSA-N 0 2 333.319 2.655 20 5 EFBDLN Cc1ncc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000350729853 725698914 /nfs/dbraw/zinc/69/89/14/725698914.db2.gz NZZRWLAOJLFFKC-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000221855037 727898209 /nfs/dbraw/zinc/89/82/09/727898209.db2.gz YRYKGNDBQZYTCR-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN C[C@@H](C(=O)[O-])[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001602821638 971628936 /nfs/dbraw/zinc/62/89/36/971628936.db2.gz LCWYTRXCFNXKHR-JTQLQIEISA-N 0 2 331.328 2.687 20 5 EFBDLN C[C@@H](C(=O)[O-])[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC001602821638 971628939 /nfs/dbraw/zinc/62/89/39/971628939.db2.gz LCWYTRXCFNXKHR-JTQLQIEISA-N 0 2 331.328 2.687 20 5 EFBDLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000902005873 980683250 /nfs/dbraw/zinc/68/32/50/980683250.db2.gz CPUOXSOBFGJMIR-ZETCQYMHSA-N 0 2 349.206 2.858 20 5 EFBDLN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000902005873 980683253 /nfs/dbraw/zinc/68/32/53/980683253.db2.gz CPUOXSOBFGJMIR-ZETCQYMHSA-N 0 2 349.206 2.858 20 5 EFBDLN COc1cc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)ccc1[N+](=O)[O-] ZINC001599415845 997507998 /nfs/dbraw/zinc/50/79/98/997507998.db2.gz HJNQVYVVHMARHV-MRVPVSSYSA-N 0 2 337.357 2.609 20 5 EFBDLN Cc1noc(C[NH2+][C@](C)(CC(=O)[O-])c2cccc(F)c2)c1[N+](=O)[O-] ZINC001600814904 1095351681 /nfs/dbraw/zinc/35/16/81/1095351681.db2.gz OMQZDCPHGZAWFU-OAHLLOKOSA-N 0 2 337.307 2.510 20 5 EFBDLN C[C@H](C(=O)[O-])[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192122 1096469719 /nfs/dbraw/zinc/46/97/19/1096469719.db2.gz YXZGVYUKKQBJQK-ZBEGNZNMSA-N 0 2 330.340 2.852 20 5 EFBDLN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001603192120 1096470163 /nfs/dbraw/zinc/47/01/63/1096470163.db2.gz YXZGVYUKKQBJQK-BZNIZROVSA-N 0 2 330.340 2.852 20 5 EFBDLN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608654296 1097977997 /nfs/dbraw/zinc/97/79/97/1097977997.db2.gz JLNXNFNCMVBNBJ-INIZCTEOSA-N 0 2 348.305 2.885 20 5 EFBDLN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608654296 1097978006 /nfs/dbraw/zinc/97/80/06/1097978006.db2.gz JLNXNFNCMVBNBJ-INIZCTEOSA-N 0 2 348.305 2.885 20 5 EFBDLN O=C([O-])c1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC001608883049 1098056348 /nfs/dbraw/zinc/05/63/48/1098056348.db2.gz LXYKKLUKKAGWKM-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(F)c1 ZINC001608883049 1098056353 /nfs/dbraw/zinc/05/63/53/1098056353.db2.gz LXYKKLUKKAGWKM-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cnc(Oc2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC001608978598 1098096089 /nfs/dbraw/zinc/09/60/89/1098096089.db2.gz IDWNRTTVXYQMTD-UHFFFAOYSA-N 0 2 326.268 2.666 20 5 EFBDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001610552228 1098747516 /nfs/dbraw/zinc/74/75/16/1098747516.db2.gz MVNKHKMCLVAYKD-UHFFFAOYSA-N 0 2 329.234 2.865 20 5 EFBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000191843531 529526482 /nfs/dbraw/zinc/52/64/82/529526482.db2.gz YSVXDMFMGOGKCH-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171486243 304004208 /nfs/dbraw/zinc/00/42/08/304004208.db2.gz CAVGEGKXVAAORL-UHFFFAOYSA-N 0 2 341.323 2.828 20 5 EFBDLN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc([N+](=O)[O-])cc1O ZINC000185132733 304004372 /nfs/dbraw/zinc/00/43/72/304004372.db2.gz VXQLOLBWLIKNOZ-UHFFFAOYSA-N 0 2 341.323 2.828 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 ZINC000071826226 201170884 /nfs/dbraw/zinc/17/08/84/201170884.db2.gz NTIIZYNHSOJJGB-UHFFFAOYSA-N 0 2 348.380 2.893 20 5 EFBDLN C[C@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158429287 239010017 /nfs/dbraw/zinc/01/00/17/239010017.db2.gz KNXGGYVVZCRNEQ-BMIGLBTASA-N 0 2 348.330 2.682 20 5 EFBDLN C[C@@H](C[C@H](O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158429148 239010406 /nfs/dbraw/zinc/01/04/06/239010406.db2.gz KNXGGYVVZCRNEQ-BONVTDFDSA-N 0 2 348.330 2.682 20 5 EFBDLN O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160102762 239042811 /nfs/dbraw/zinc/04/28/11/239042811.db2.gz GLYAEGNVHHTYEC-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN Cc1nc(-c2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)n[nH]1 ZINC000164437601 239114975 /nfs/dbraw/zinc/11/49/75/239114975.db2.gz TXRIRMZEABMCNR-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000161772314 201389010 /nfs/dbraw/zinc/38/90/10/201389010.db2.gz UCLJBGJMYKMCHT-QMMMGPOBSA-N 0 2 328.752 2.708 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc2ccccc2n1 ZINC000176354862 239314338 /nfs/dbraw/zinc/31/43/38/239314338.db2.gz TUOOCUQMCDJXJY-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193785052 240126434 /nfs/dbraw/zinc/12/64/34/240126434.db2.gz KCPZRGCYGJYXOD-UHFFFAOYSA-N 0 2 344.110 2.960 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000194618685 240163676 /nfs/dbraw/zinc/16/36/76/240163676.db2.gz IXGIRFUBIAEWOQ-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)sc1C ZINC000070825583 203081463 /nfs/dbraw/zinc/08/14/63/203081463.db2.gz HDPICPCIVBZFGZ-UHFFFAOYSA-N 0 2 341.414 2.508 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414367442 244110425 /nfs/dbraw/zinc/11/04/25/244110425.db2.gz DZORQJUXESCSNY-XJKSGUPXSA-N 0 2 348.380 2.901 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)n1 ZINC000414468287 244182156 /nfs/dbraw/zinc/18/21/56/244182156.db2.gz GIJMSCHMZONUJP-UHFFFAOYSA-N 0 2 341.414 2.977 20 5 EFBDLN CCc1ccc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)o1 ZINC000077039624 203370051 /nfs/dbraw/zinc/37/00/51/203370051.db2.gz AKZCTHQJNNSLRR-CQSZACIVSA-N 0 2 346.339 2.670 20 5 EFBDLN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134226431 205398499 /nfs/dbraw/zinc/39/84/99/205398499.db2.gz NWVQLROKRUAALW-CYBMUJFWSA-N 0 2 330.344 2.618 20 5 EFBDLN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000158548438 206198013 /nfs/dbraw/zinc/19/80/13/206198013.db2.gz HEPDLLOWZZKDAW-DYVFJYSZSA-N 0 2 342.351 2.951 20 5 EFBDLN CCc1ccc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000159392498 206242246 /nfs/dbraw/zinc/24/22/46/206242246.db2.gz SBVZMSLWOOWGQA-CQSZACIVSA-N 0 2 346.339 2.670 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)[nH]n1 ZINC000159964035 206273111 /nfs/dbraw/zinc/27/31/11/206273111.db2.gz BELWKRHBLQSFQR-UHFFFAOYSA-N 0 2 342.352 2.600 20 5 EFBDLN CC(C)COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000436636682 249557937 /nfs/dbraw/zinc/55/79/37/249557937.db2.gz WKQKTVIZSKCADZ-UHFFFAOYSA-N 0 2 331.328 2.983 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000267703996 251270733 /nfs/dbraw/zinc/27/07/33/251270733.db2.gz UJKWVHSWFLHUQJ-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN COC(=O)c1ccc2nc(-c3ccc([N+](=O)[O-])c(O)c3)n(C)c2c1 ZINC000342140867 292018406 /nfs/dbraw/zinc/01/84/06/292018406.db2.gz QYWHYNZGEZVFSW-UHFFFAOYSA-N 0 2 327.296 2.641 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1[N+](=O)[O-] ZINC000313222366 141486791 /nfs/dbraw/zinc/48/67/91/141486791.db2.gz QYKBDUAGWPQFQP-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc2n[nH]cc2c1 ZINC000343414619 141992987 /nfs/dbraw/zinc/99/29/87/141992987.db2.gz UBJOARVWLKKSAL-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000346210774 142168238 /nfs/dbraw/zinc/16/82/38/142168238.db2.gz VHXMDPPVAAQDGW-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN O=C(Nc1ccc(OC(F)F)cn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000347688288 142256810 /nfs/dbraw/zinc/25/68/10/142256810.db2.gz UYBKJSAUFKRKJO-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1 ZINC000342800957 145196614 /nfs/dbraw/zinc/19/66/14/145196614.db2.gz VRTLAYHGAFWKGP-UHFFFAOYSA-N 0 2 325.371 2.730 20 5 EFBDLN O=C(N=c1ccc(C2CC2)n[nH]1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000343570586 145240722 /nfs/dbraw/zinc/24/07/22/145240722.db2.gz MYNXVKYHFZGVBY-UHFFFAOYSA-N 0 2 347.762 2.659 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc(Br)c2)[nH]1 ZINC000352013635 146263768 /nfs/dbraw/zinc/26/37/68/146263768.db2.gz LGZBICYBSWXENC-OWOJBTEDSA-N 0 2 344.146 2.790 20 5 EFBDLN Cc1ccc(-c2nc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])co2)cc1 ZINC000352021026 146267214 /nfs/dbraw/zinc/26/72/14/146267214.db2.gz LQRVJNOKZSEWOU-SREVYHEPSA-N 0 2 340.295 2.930 20 5 EFBDLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000355876843 147088733 /nfs/dbraw/zinc/08/87/33/147088733.db2.gz BQMHMOXBCPZNJO-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COCCOc1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000356288950 147202799 /nfs/dbraw/zinc/20/27/99/147202799.db2.gz CVPVZKSFOQBHJQ-UHFFFAOYSA-N 0 2 346.339 2.507 20 5 EFBDLN COc1cccc2c1OCC(C(=O)Nc1cc([N+](=O)[O-])ccc1O)=C2 ZINC000356316789 147209825 /nfs/dbraw/zinc/20/98/25/147209825.db2.gz CNLBNSQRJADLRI-UHFFFAOYSA-N 0 2 342.307 2.724 20 5 EFBDLN COc1cc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000356321147 147211603 /nfs/dbraw/zinc/21/16/03/147211603.db2.gz MGPWITVJJDVPHG-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cn1)CCCC2 ZINC000359486494 148098828 /nfs/dbraw/zinc/09/88/28/148098828.db2.gz VMBOPEVKTLVZHM-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2n[nH]cc21 ZINC000359969932 148238747 /nfs/dbraw/zinc/23/87/47/148238747.db2.gz JOFXDEGFYHLLDB-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000360031062 148254658 /nfs/dbraw/zinc/25/46/58/148254658.db2.gz KYQIIQRPWPMYJL-UHFFFAOYSA-N 0 2 333.369 2.669 20 5 EFBDLN Cc1nsc(NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000360535228 148386870 /nfs/dbraw/zinc/38/68/70/148386870.db2.gz OEBNROAPPMEPCV-UHFFFAOYSA-N 0 2 347.322 2.719 20 5 EFBDLN O=C(NCc1ncoc1-c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000364978800 149289958 /nfs/dbraw/zinc/28/99/58/149289958.db2.gz JBSTXYLJKWRMTO-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000446494498 286447863 /nfs/dbraw/zinc/44/78/63/286447863.db2.gz WGNKVOCFVQKZHZ-MRXNPFEDSA-N 0 2 330.340 2.808 20 5 EFBDLN CC[C@@H](CO)N(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436815124 286843212 /nfs/dbraw/zinc/84/32/12/286843212.db2.gz USKLSQAJDBQITB-AWEZNQCLSA-N 0 2 344.367 2.714 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)Cc2ccccc2O1 ZINC000355911925 296921126 /nfs/dbraw/zinc/92/11/26/296921126.db2.gz ZLSHOCMTKKZRHM-LLVKDONJSA-N 0 2 328.324 2.724 20 5 EFBDLN O=C(N[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170015389 544856162 /nfs/dbraw/zinc/85/61/62/544856162.db2.gz URLBWOJVKYYXHQ-XJKSGUPXSA-N 0 2 328.324 2.560 20 5 EFBDLN Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000184613981 265022798 /nfs/dbraw/zinc/02/27/98/265022798.db2.gz OZFWRBCVEMWOOX-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN CCOCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184642729 265023091 /nfs/dbraw/zinc/02/30/91/265023091.db2.gz LLIDEQMUBGTKHA-UHFFFAOYSA-N 0 2 330.340 2.767 20 5 EFBDLN CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184635471 265023518 /nfs/dbraw/zinc/02/35/18/265023518.db2.gz FSBIFNRFDAZSNV-JTQLQIEISA-N 0 2 343.339 2.750 20 5 EFBDLN O=C(NCc1nc(C(F)(F)F)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000186947005 265082893 /nfs/dbraw/zinc/08/28/93/265082893.db2.gz LSQBQRWDVCXNRS-UHFFFAOYSA-N 0 2 347.274 2.706 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](COc2ccccc2)C1 ZINC000272776069 266378756 /nfs/dbraw/zinc/37/87/56/266378756.db2.gz DYVYJMKLHFALCD-ZDUSSCGKSA-N 0 2 342.351 2.842 20 5 EFBDLN CC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCCC1 ZINC000276712427 267038685 /nfs/dbraw/zinc/03/86/85/267038685.db2.gz YBXSFKUJADTOSX-UHFFFAOYSA-N 0 2 346.343 2.646 20 5 EFBDLN C[C@]12CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C[C@H]1C2(Cl)Cl ZINC000286057287 274124862 /nfs/dbraw/zinc/12/48/62/274124862.db2.gz CPUCGRAOQOQQOY-YPMHNXCESA-N 0 2 345.182 2.956 20 5 EFBDLN CC1(C)N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)N(CC2CCCC2)C1=O ZINC000414191028 281397622 /nfs/dbraw/zinc/39/76/22/281397622.db2.gz UIEYQQPJQOUAPO-OAHLLOKOSA-N 0 2 333.388 2.700 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000065833987 292686127 /nfs/dbraw/zinc/68/61/27/292686127.db2.gz IRNUJOTXBSNLIK-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN Cc1ncccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000073143862 292722873 /nfs/dbraw/zinc/72/28/73/292722873.db2.gz LGDSKZBHTOCRMQ-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000077243604 292764217 /nfs/dbraw/zinc/76/42/17/292764217.db2.gz CVSRGFKJWACQPX-UHFFFAOYSA-N 0 2 330.315 2.901 20 5 EFBDLN CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000131159987 293188119 /nfs/dbraw/zinc/18/81/19/293188119.db2.gz MNHXRFMHWKQXCL-UHFFFAOYSA-N 0 2 329.312 2.901 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000132730244 293235948 /nfs/dbraw/zinc/23/59/48/293235948.db2.gz TUDHXJYBEONAQH-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000133269907 293252130 /nfs/dbraw/zinc/25/21/30/293252130.db2.gz OQPPSPBVIGKGMT-UHFFFAOYSA-N 0 2 328.324 2.508 20 5 EFBDLN COc1ccc2c(c1)OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369791447 295268115 /nfs/dbraw/zinc/26/81/15/295268115.db2.gz BOWWTRJBQCIMCH-CYBMUJFWSA-N 0 2 344.323 2.563 20 5 EFBDLN COc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCO2 ZINC000436939679 295270307 /nfs/dbraw/zinc/27/03/07/295270307.db2.gz PQVGRAPTCGEBFZ-AWEZNQCLSA-N 0 2 344.323 2.563 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295239603 295286660 /nfs/dbraw/zinc/28/66/60/295286660.db2.gz UUWKIENLUUBALE-CYBMUJFWSA-N 0 2 348.380 2.900 20 5 EFBDLN COc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000363660315 295340115 /nfs/dbraw/zinc/34/01/15/295340115.db2.gz LSOLSNUFYOTNBV-LBPRGKRZSA-N 0 2 344.323 2.563 20 5 EFBDLN COc1ccccc1[C@@]1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000439728861 295396582 /nfs/dbraw/zinc/39/65/82/295396582.db2.gz AGALAULSLLVMCH-SJLPKXTDSA-N 0 2 342.351 2.769 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC2(C1)CCCCCC2 ZINC000160480729 304530657 /nfs/dbraw/zinc/53/06/57/304530657.db2.gz PYBVKWVNGJECIP-UHFFFAOYSA-N 0 2 334.372 2.866 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cncc(F)c2)c1[N+](=O)[O-] ZINC000337286798 301558765 /nfs/dbraw/zinc/55/87/65/301558765.db2.gz MNIAYPYHYBYCLM-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN CCCCn1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000160199213 310695855 /nfs/dbraw/zinc/69/58/55/310695855.db2.gz YLSLRBHXFOKDMG-UHFFFAOYSA-N 0 2 338.389 2.701 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000161194667 310707301 /nfs/dbraw/zinc/70/73/01/310707301.db2.gz XMOPWZHWQULULP-UHFFFAOYSA-N 0 2 340.332 2.744 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000299306947 311071157 /nfs/dbraw/zinc/07/11/57/311071157.db2.gz IAJVSOBJOGPQFA-UHFFFAOYSA-N 0 2 345.764 2.962 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327181855 311244886 /nfs/dbraw/zinc/24/48/86/311244886.db2.gz YOWBZSZFJWHCHD-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000327181855 311244888 /nfs/dbraw/zinc/24/48/88/311244888.db2.gz YOWBZSZFJWHCHD-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000331403509 311374375 /nfs/dbraw/zinc/37/43/75/311374375.db2.gz MFIHUJQSEGRQHQ-LBPRGKRZSA-N 0 2 334.372 2.912 20 5 EFBDLN CC(C)Oc1cc(C(=O)N=c2ccc(C3CC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000415192819 312111636 /nfs/dbraw/zinc/11/16/36/312111636.db2.gz LDJCQZNQQSHVLZ-UHFFFAOYSA-N 0 2 342.355 2.724 20 5 EFBDLN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436988131 312606735 /nfs/dbraw/zinc/60/67/35/312606735.db2.gz JYOLOSKEHKXZLX-DYVFJYSZSA-N 0 2 342.351 2.808 20 5 EFBDLN O=C(NCc1c(F)cc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1O ZINC000436992088 312607113 /nfs/dbraw/zinc/60/71/13/312607113.db2.gz UDTBNIMASUIMRU-UHFFFAOYSA-N 0 2 344.220 2.787 20 5 EFBDLN O=C(NCc1c(F)cc(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1O ZINC000436993113 312607233 /nfs/dbraw/zinc/60/72/33/312607233.db2.gz YNVYGOTWWVVJQB-UHFFFAOYSA-N 0 2 344.220 2.787 20 5 EFBDLN COC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1F ZINC000497030389 315284586 /nfs/dbraw/zinc/28/45/86/315284586.db2.gz VFOUVPPTNSDTHC-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN O=C(NC1CC(OCc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000547362152 318000851 /nfs/dbraw/zinc/00/08/51/318000851.db2.gz RTXOEOFCLQIJLL-UHFFFAOYSA-N 0 2 342.351 2.778 20 5 EFBDLN O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc([N+](=O)[O-])cc1O ZINC000547807241 318044344 /nfs/dbraw/zinc/04/43/44/318044344.db2.gz MOSGQAOMDXLIDG-UHFFFAOYSA-N 0 2 336.687 2.935 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)c1 ZINC000556498650 318391921 /nfs/dbraw/zinc/39/19/21/318391921.db2.gz KIWSPNHGGQKJJF-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN COc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000565539842 318980556 /nfs/dbraw/zinc/98/05/56/318980556.db2.gz FHPOYLYLUNVHHP-MRVPVSSYSA-N 0 2 337.357 2.609 20 5 EFBDLN O=C([O-])[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566625727 319096200 /nfs/dbraw/zinc/09/62/00/319096200.db2.gz YZKQTYGIRYWOBF-CQSZACIVSA-N 0 2 331.328 2.689 20 5 EFBDLN O=C([O-])[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566625727 319096203 /nfs/dbraw/zinc/09/62/03/319096203.db2.gz YZKQTYGIRYWOBF-CQSZACIVSA-N 0 2 331.328 2.689 20 5 EFBDLN Cc1oc(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1C(=O)[O-] ZINC000568759207 319316186 /nfs/dbraw/zinc/31/61/86/319316186.db2.gz SGWMEOMRTJEJOG-UHFFFAOYSA-N 0 2 345.311 2.968 20 5 EFBDLN Cc1oc(C[N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)cc1C(=O)[O-] ZINC000568759207 319316188 /nfs/dbraw/zinc/31/61/88/319316188.db2.gz SGWMEOMRTJEJOG-UHFFFAOYSA-N 0 2 345.311 2.968 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000571762304 319605057 /nfs/dbraw/zinc/60/50/57/319605057.db2.gz GTWPQKKLBIGCNM-UHFFFAOYSA-N 0 2 337.357 2.823 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(C(C)C)o2)c1[N+](=O)[O-] ZINC000191796775 533709233 /nfs/dbraw/zinc/70/92/33/533709233.db2.gz JDBWAZJOFUUQAJ-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)sc1C ZINC000075657688 462747316 /nfs/dbraw/zinc/74/73/16/462747316.db2.gz TYRCCNIPWJNGBB-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000069675026 463300630 /nfs/dbraw/zinc/30/06/30/463300630.db2.gz NYGHMWBTUPBVAE-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000072700487 463535924 /nfs/dbraw/zinc/53/59/24/463535924.db2.gz JTEIWWSAAZXXCS-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1[N+](=O)[O-] ZINC000095944866 473227400 /nfs/dbraw/zinc/22/74/00/473227400.db2.gz UHJRAZFNKSYYES-UHFFFAOYSA-N 0 2 338.370 2.642 20 5 EFBDLN CSc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000112393742 473264579 /nfs/dbraw/zinc/26/45/79/473264579.db2.gz NQPQYQWJMBLRIQ-UHFFFAOYSA-N 0 2 345.340 2.947 20 5 EFBDLN Cc1noc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184964876 473285547 /nfs/dbraw/zinc/28/55/47/473285547.db2.gz ZWWKUCCIYYONAI-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C2CC2)no1 ZINC000185008545 473299583 /nfs/dbraw/zinc/29/95/83/473299583.db2.gz OAIMZTPJQFFDKK-CYBMUJFWSA-N 0 2 346.343 2.688 20 5 EFBDLN O=C(Nc1ncccc1OC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000185009542 473300258 /nfs/dbraw/zinc/30/02/58/473300258.db2.gz ZOGDDNYFHDNFMU-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000083956125 473376312 /nfs/dbraw/zinc/37/63/12/473376312.db2.gz AVBAHSJYDFOYRJ-UHFFFAOYSA-N 0 2 346.365 2.510 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000083956026 473377656 /nfs/dbraw/zinc/37/76/56/473377656.db2.gz LKRCQKAMBXCAPD-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000162850981 473390611 /nfs/dbraw/zinc/39/06/11/473390611.db2.gz RNZPMAVWLZSERH-INIZCTEOSA-N 0 2 342.351 2.544 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000000560021 471371835 /nfs/dbraw/zinc/37/18/35/471371835.db2.gz AJQBJLKAQYXBJI-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000007052299 471587690 /nfs/dbraw/zinc/58/76/90/471587690.db2.gz VFIREQDGJVJDON-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000007052306 471587736 /nfs/dbraw/zinc/58/77/36/471587736.db2.gz QZVUGDTUPNDJNV-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000014256197 471866801 /nfs/dbraw/zinc/86/68/01/471866801.db2.gz UJYUQQBSXPYRHA-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000014257043 471866915 /nfs/dbraw/zinc/86/69/15/471866915.db2.gz IKZPZMQCYSAEMN-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(C)c1 ZINC000017841493 471964296 /nfs/dbraw/zinc/96/42/96/471964296.db2.gz YEXCZIQNBCQGPW-UHFFFAOYSA-N 0 2 343.383 2.865 20 5 EFBDLN CCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000018074343 471968517 /nfs/dbraw/zinc/96/85/17/471968517.db2.gz QHKCQTQJXVDKDZ-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN O=C(Nc1ccccc1N1CCCC1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000022748369 472020645 /nfs/dbraw/zinc/02/06/45/472020645.db2.gz YWLLVAGRHJJSCE-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN COCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000023597687 472035099 /nfs/dbraw/zinc/03/50/99/472035099.db2.gz ZEAOGEJIOITPOW-UHFFFAOYSA-N 0 2 330.340 2.589 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000026546603 472141963 /nfs/dbraw/zinc/14/19/63/472141963.db2.gz GQKBEBVAAOSUCV-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2o1 ZINC000075581097 472161373 /nfs/dbraw/zinc/16/13/73/472161373.db2.gz JSANIGKIDDUXIO-UHFFFAOYSA-N 0 2 333.325 2.845 20 5 EFBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccccc1[N+](=O)[O-] ZINC000068297899 472166247 /nfs/dbraw/zinc/16/62/47/472166247.db2.gz UBMYPLSWDCUFAC-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN CCC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000055616793 472212382 /nfs/dbraw/zinc/21/23/82/472212382.db2.gz AKKBGPOLUPYIER-UHFFFAOYSA-N 0 2 349.368 2.744 20 5 EFBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055631970 472214680 /nfs/dbraw/zinc/21/46/80/472214680.db2.gz PLLPBPLLEKPWQK-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cc(F)ccc1O ZINC000043301116 472219906 /nfs/dbraw/zinc/21/99/06/472219906.db2.gz OBCAODHQLHDDNP-UHFFFAOYSA-N 0 2 327.271 2.856 20 5 EFBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3ccccc3)[nH]n2)c1 ZINC000086170955 472274300 /nfs/dbraw/zinc/27/43/00/472274300.db2.gz NQKOKWIWWIXUJP-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)c3ccccc3)n[nH]2)c1 ZINC000086170955 472274305 /nfs/dbraw/zinc/27/43/05/472274305.db2.gz NQKOKWIWWIXUJP-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029800420 472298256 /nfs/dbraw/zinc/29/82/56/472298256.db2.gz KHNSUBSFOZKRRA-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN Cc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000088545718 472371791 /nfs/dbraw/zinc/37/17/91/472371791.db2.gz LBMIELSVVVHXRD-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2)CCOCC1 ZINC000089531208 472457094 /nfs/dbraw/zinc/45/70/94/472457094.db2.gz ZJVGFPGUSHWHBL-UHFFFAOYSA-N 0 2 342.351 2.987 20 5 EFBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000070774533 472510489 /nfs/dbraw/zinc/51/04/89/472510489.db2.gz UMXYZVVKUUZPOK-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN CCc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cnn1CC(C)C ZINC000129645996 472556982 /nfs/dbraw/zinc/55/69/82/472556982.db2.gz BWKKPOHEPXGMLU-UHFFFAOYSA-N 0 2 332.360 2.968 20 5 EFBDLN CCc1nc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)sc1C ZINC000101952182 472558116 /nfs/dbraw/zinc/55/81/16/472558116.db2.gz QFEOUQIEOCLPMI-UHFFFAOYSA-N 0 2 335.385 2.600 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1C ZINC000103060092 472608010 /nfs/dbraw/zinc/60/80/10/472608010.db2.gz LSIQXGMXUNGHED-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(F)c1F ZINC000103201352 472617602 /nfs/dbraw/zinc/61/76/02/472617602.db2.gz CQJHBNHCJZYWAA-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN CCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000059241300 472623088 /nfs/dbraw/zinc/62/30/88/472623088.db2.gz UPHUWUPKGLBRKY-UHFFFAOYSA-N 0 2 342.402 2.590 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(F)cccc1F ZINC000047215539 472672401 /nfs/dbraw/zinc/67/24/01/472672401.db2.gz SDFHHTOWUUTARF-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)c([N+](=O)[O-])c1 ZINC000105388242 472750632 /nfs/dbraw/zinc/75/06/32/472750632.db2.gz UONHRIHSNMBCMM-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c2n[nH]cc21 ZINC000063635260 472795921 /nfs/dbraw/zinc/79/59/21/472795921.db2.gz FEBMKGUMZQLLNY-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000121209371 472817343 /nfs/dbraw/zinc/81/73/43/472817343.db2.gz FKEBQAPFCZUGCK-UHFFFAOYSA-N 0 2 328.324 2.508 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000121283686 472829278 /nfs/dbraw/zinc/82/92/78/472829278.db2.gz RDDUVGRXVUTXSC-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CN(CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000065118217 472901078 /nfs/dbraw/zinc/90/10/78/472901078.db2.gz BVQDCXNSVYRHAW-UHFFFAOYSA-N 0 2 343.383 2.947 20 5 EFBDLN O=C(CCSCc1ccccn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546045 472931982 /nfs/dbraw/zinc/93/19/82/472931982.db2.gz GJHIXGDYCBARMW-UHFFFAOYSA-N 0 2 333.369 2.957 20 5 EFBDLN O=C(CSCc1cscn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547078 472933523 /nfs/dbraw/zinc/93/35/23/472933523.db2.gz MILPFKLJGBIFJZ-UHFFFAOYSA-N 0 2 325.371 2.629 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1OCC(F)F ZINC000092546709 472933654 /nfs/dbraw/zinc/93/36/54/472933654.db2.gz YWDLDBMZBOPZMX-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN Cn1cc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000049750533 472961568 /nfs/dbraw/zinc/96/15/68/472961568.db2.gz NOAYKVOAZMFOTF-UHFFFAOYSA-N 0 2 325.324 2.973 20 5 EFBDLN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000122528840 473025539 /nfs/dbraw/zinc/02/55/39/473025539.db2.gz JMQFZUAAFFPFDC-OAHLLOKOSA-N 0 2 344.367 2.714 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)c([N+](=O)[O-])c1 ZINC000066249991 473064382 /nfs/dbraw/zinc/06/43/82/473064382.db2.gz KRGWPDMTMYSJSD-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN O=C(NC[C@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000108900609 473064878 /nfs/dbraw/zinc/06/48/78/473064878.db2.gz DDBNIMJJOBCCSS-GFCCVEGCSA-N 0 2 328.324 2.597 20 5 EFBDLN CCc1ccc(O)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000080940949 473106627 /nfs/dbraw/zinc/10/66/27/473106627.db2.gz HAWBWCCAUJCMEC-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000160582459 473146715 /nfs/dbraw/zinc/14/67/15/473146715.db2.gz BEDOGZAMDJSHGW-UHFFFAOYSA-N 0 2 334.332 2.668 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000160647650 473156353 /nfs/dbraw/zinc/15/63/53/473156353.db2.gz VJAUORXSQGIMKY-UHFFFAOYSA-N 0 2 338.389 2.805 20 5 EFBDLN Cc1n[nH]c2cc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc12 ZINC000093909433 473161240 /nfs/dbraw/zinc/16/12/40/473161240.db2.gz WIIVNUGZYYOCKC-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])ccc12 ZINC000093909433 473161245 /nfs/dbraw/zinc/16/12/45/473161245.db2.gz WIIVNUGZYYOCKC-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000093929345 473163710 /nfs/dbraw/zinc/16/37/10/473163710.db2.gz LNEVPBPRIFNXCZ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000093930604 473164542 /nfs/dbraw/zinc/16/45/42/473164542.db2.gz KDIOEELNIHSBJK-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1C ZINC000163395095 473441257 /nfs/dbraw/zinc/44/12/57/473441257.db2.gz KOEWNGYALLJDCW-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)nc1 ZINC000185615067 473468883 /nfs/dbraw/zinc/46/88/83/473468883.db2.gz KKSURXRBIDVBFZ-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCc2ccccc2C1 ZINC000114539484 473480532 /nfs/dbraw/zinc/48/05/32/473480532.db2.gz OKYNMAIGFREXJZ-HNNXBMFYSA-N 0 2 326.352 2.930 20 5 EFBDLN Cc1ccc(Cn2nccc2NC(=O)c2ccc([N+](=O)[O-])cc2O)o1 ZINC000185700283 473491987 /nfs/dbraw/zinc/49/19/87/473491987.db2.gz MOTCORGNHCOIND-UHFFFAOYSA-N 0 2 342.311 2.699 20 5 EFBDLN O=C(Nc1cccnc1OCC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000185869944 473535328 /nfs/dbraw/zinc/53/53/28/473535328.db2.gz QFAVDPMKMMEAPF-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)CCCC(=O)N2 ZINC000170553316 473556459 /nfs/dbraw/zinc/55/64/59/473556459.db2.gz CZRYXIXMQQEFSX-UHFFFAOYSA-N 0 2 341.323 2.828 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccnn2C(C)C)c1[N+](=O)[O-] ZINC000191742096 473574252 /nfs/dbraw/zinc/57/42/52/473574252.db2.gz GSESOARDGJAXSO-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(C)C)o2)cc1C ZINC000153607221 473632761 /nfs/dbraw/zinc/63/27/61/473632761.db2.gz UZTQYFPYRREWMX-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN Cc1ccc(-c2n[nH]c(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)c2C)o1 ZINC000193738211 473805484 /nfs/dbraw/zinc/80/54/84/473805484.db2.gz QAQAYHJHCDRECB-UHFFFAOYSA-N 0 2 343.299 2.548 20 5 EFBDLN CC(C)(NC(=O)c1cccc2[nH]nnc21)c1ccc([N+](=O)[O-])cc1 ZINC000180134926 473806964 /nfs/dbraw/zinc/80/69/64/473806964.db2.gz OBZAFNBYSZUAMM-UHFFFAOYSA-N 0 2 325.328 2.531 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000180755730 473957538 /nfs/dbraw/zinc/95/75/38/473957538.db2.gz OFQJZAYEIUHMRH-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN CC1CC[NH+](CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000180782276 473963665 /nfs/dbraw/zinc/96/36/65/473963665.db2.gz UETTYAQEXSPIKC-UHFFFAOYSA-N 0 2 327.768 2.624 20 5 EFBDLN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]nnc21 ZINC000188105458 473984285 /nfs/dbraw/zinc/98/42/85/473984285.db2.gz AUHGFINJFZHMAI-UHFFFAOYSA-N 0 2 339.355 2.619 20 5 EFBDLN Cc1nnc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)o1 ZINC000174337032 474023867 /nfs/dbraw/zinc/02/38/67/474023867.db2.gz NTRFHZZLJBIAOK-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000182090163 474096710 /nfs/dbraw/zinc/09/67/10/474096710.db2.gz RHIOHWFTZIRLRC-TZMCWYRMSA-N 0 2 332.356 2.664 20 5 EFBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C12CCC2 ZINC000182121352 474103823 /nfs/dbraw/zinc/10/38/23/474103823.db2.gz RKCYRBYEYMNGPT-GJZGRUSLSA-N 0 2 334.372 2.720 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000182144634 474108663 /nfs/dbraw/zinc/10/86/63/474108663.db2.gz SGZIUIUVUUAVLN-AWEZNQCLSA-N 0 2 346.339 2.715 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccccc21 ZINC000182158339 474111283 /nfs/dbraw/zinc/11/12/83/474111283.db2.gz RWPUZGZFXRQQLP-HZMBPMFUSA-N 0 2 328.324 2.595 20 5 EFBDLN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000182711013 474239244 /nfs/dbraw/zinc/23/92/44/474239244.db2.gz QXSXLVQIFBIUKS-DEOSSOPVSA-N 0 2 348.380 2.740 20 5 EFBDLN CC(C)c1nnc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cn21 ZINC000189071199 474280425 /nfs/dbraw/zinc/28/04/25/474280425.db2.gz MFHXFYZBOWOQOP-UHFFFAOYSA-N 0 2 341.327 2.719 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000183198563 474349325 /nfs/dbraw/zinc/34/93/25/474349325.db2.gz CEKAORVXIHIJEW-UHFFFAOYSA-N 0 2 345.377 2.944 20 5 EFBDLN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000183556479 474392208 /nfs/dbraw/zinc/39/22/08/474392208.db2.gz YHPFCCRVQCDDKI-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc(C)c1F ZINC000183893039 474442851 /nfs/dbraw/zinc/44/28/51/474442851.db2.gz ZHDYRKYPADWIEA-UHFFFAOYSA-N 0 2 339.348 2.855 20 5 EFBDLN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184651919 474574402 /nfs/dbraw/zinc/57/44/02/474574402.db2.gz FQWMWOYIODUBGJ-ZDUSSCGKSA-N 0 2 341.367 2.557 20 5 EFBDLN CC(C)c1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)cs1 ZINC000184736692 474597554 /nfs/dbraw/zinc/59/75/54/474597554.db2.gz HQCRNUNZOVTTOT-UHFFFAOYSA-N 0 2 335.385 2.853 20 5 EFBDLN C[C@@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000184779243 474605331 /nfs/dbraw/zinc/60/53/31/474605331.db2.gz VSBLBFUZLDQQMS-IAQYHMDHSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000184779295 474605438 /nfs/dbraw/zinc/60/54/38/474605438.db2.gz VSBLBFUZLDQQMS-NHYWBVRUSA-N 0 2 327.340 2.919 20 5 EFBDLN Cc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cc1 ZINC000273225621 474788459 /nfs/dbraw/zinc/78/84/59/474788459.db2.gz UMUGUKQBUWMAIB-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN Cc1cccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1F ZINC000313221625 474856652 /nfs/dbraw/zinc/85/66/52/474856652.db2.gz PRVFRICZOWTPDM-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000317256098 474887524 /nfs/dbraw/zinc/88/75/24/474887524.db2.gz USZPOZBWWIMCMH-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000617231379 480134352 /nfs/dbraw/zinc/13/43/52/480134352.db2.gz QSYJHJDFKPQWPS-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)c1C ZINC000268514288 475024665 /nfs/dbraw/zinc/02/46/65/475024665.db2.gz XNSOPOVBPVFQKI-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(C(C)C)n1 ZINC000281238646 475130636 /nfs/dbraw/zinc/13/06/36/475130636.db2.gz VBKGSDUHSOJARN-UHFFFAOYSA-N 0 2 342.352 2.621 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000281287858 475153939 /nfs/dbraw/zinc/15/39/39/475153939.db2.gz XXJBRZUERHDQJR-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN CC(C)(C(=O)NO[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000273994969 475154399 /nfs/dbraw/zinc/15/43/99/475154399.db2.gz YDRORWZGLTYLTI-ZDUSSCGKSA-N 0 2 326.324 2.586 20 5 EFBDLN Cc1cc(N2CCC[C@H](C(=O)[O-])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000262083999 475167146 /nfs/dbraw/zinc/16/71/46/475167146.db2.gz FSXOZERGLSXYEQ-ZDUSSCGKSA-N 0 2 342.355 2.661 20 5 EFBDLN O=C(NCc1nc2cc(Cl)ccc2[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000613950733 480152883 /nfs/dbraw/zinc/15/28/83/480152883.db2.gz CUQMTOHGIUJTEC-UHFFFAOYSA-N 0 2 346.730 2.760 20 5 EFBDLN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000613950733 480152892 /nfs/dbraw/zinc/15/28/92/480152892.db2.gz CUQMTOHGIUJTEC-UHFFFAOYSA-N 0 2 346.730 2.760 20 5 EFBDLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000341985526 475477481 /nfs/dbraw/zinc/47/74/81/475477481.db2.gz QXAFKFRQZHNQEK-UHFFFAOYSA-N 0 2 338.298 2.865 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2ccc(C[NH+]=c3[n-]nc4ccccn43)o2)cc1 ZINC000354877420 475484293 /nfs/dbraw/zinc/48/42/93/475484293.db2.gz KOJOKPCEVVRREB-UHFFFAOYSA-N 0 2 335.323 2.932 20 5 EFBDLN COc1ccc(CN=c2nc(-c3ccccc3)o[nH]2)cc1[N+](=O)[O-] ZINC000354902106 475504337 /nfs/dbraw/zinc/50/43/37/475504337.db2.gz WXODOYZWVLODGH-UHFFFAOYSA-N 0 2 326.312 2.687 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCC(=O)c2ccccc21 ZINC000339957981 475640931 /nfs/dbraw/zinc/64/09/31/475640931.db2.gz ACLLOSOTLPZODX-CYBMUJFWSA-N 0 2 326.308 2.999 20 5 EFBDLN Cc1c2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2nn1C ZINC000355270376 475791542 /nfs/dbraw/zinc/79/15/42/475791542.db2.gz WWNRVULOQCIRAF-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN CCN(C)c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c[nH+]1 ZINC000358652142 475837177 /nfs/dbraw/zinc/83/71/77/475837177.db2.gz NGAWGCHNNYNRTC-XQRVVYSFSA-N 0 2 328.328 2.710 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(F)c1 ZINC000358804854 475953693 /nfs/dbraw/zinc/95/36/93/475953693.db2.gz VFHUYRAIWUARHL-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c([N+](=O)[O-])c1 ZINC000358890431 476015575 /nfs/dbraw/zinc/01/55/75/476015575.db2.gz WOEMTWIYQIWVSX-UHFFFAOYSA-N 0 2 338.389 2.561 20 5 EFBDLN O=C(N[C@@H]1COc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000355871033 476068074 /nfs/dbraw/zinc/06/80/74/476068074.db2.gz SSCCJLKIWKDZIJ-LLVKDONJSA-N 0 2 334.715 2.817 20 5 EFBDLN CCOc1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000340546645 476098941 /nfs/dbraw/zinc/09/89/41/476098941.db2.gz LYMYWGCXKJYJEH-UHFFFAOYSA-N 0 2 332.312 2.717 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(c(Cl)c1)OCO2 ZINC000340548157 476100825 /nfs/dbraw/zinc/10/08/25/476100825.db2.gz YPALIYDUGLHGEJ-UHFFFAOYSA-N 0 2 336.687 2.935 20 5 EFBDLN Cc1cccc(F)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000359024399 476123886 /nfs/dbraw/zinc/12/38/86/476123886.db2.gz CZLBXTNRTXLWLL-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)cc1O ZINC000336852115 476142578 /nfs/dbraw/zinc/14/25/78/476142578.db2.gz JRMXSHNUZYAKCS-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN C[C@@H](C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336866104 476148014 /nfs/dbraw/zinc/14/80/14/476148014.db2.gz HKTWOOGYXJQFEC-JTQLQIEISA-N 0 2 337.328 2.779 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cc1 ZINC000357085410 476220029 /nfs/dbraw/zinc/22/00/29/476220029.db2.gz BLEDBFCSKDTZFW-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000357478813 476407514 /nfs/dbraw/zinc/40/75/14/476407514.db2.gz YFFSGNANKWWOIG-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN CC(C)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000357606685 476484895 /nfs/dbraw/zinc/48/48/95/476484895.db2.gz AIJFQNCYUQNPTE-UHFFFAOYSA-N 0 2 331.328 2.983 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(Cc2ccccc2)n1 ZINC000357651324 476514683 /nfs/dbraw/zinc/51/46/83/476514683.db2.gz HFQGABQBSGCBCS-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000361002576 476537045 /nfs/dbraw/zinc/53/70/45/476537045.db2.gz NRFDFIXYZKAPRC-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=C(NC1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000364899022 476551308 /nfs/dbraw/zinc/55/13/08/476551308.db2.gz VPYGUQUZDGINCX-UHFFFAOYSA-N 0 2 334.372 2.770 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@@H]1c1ccccc1 ZINC000378054518 476679963 /nfs/dbraw/zinc/67/99/63/476679963.db2.gz WXZJTZGXIYAVTL-OAHLLOKOSA-N 0 2 328.324 2.514 20 5 EFBDLN Cc1ccc(C2=CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cn1 ZINC000354477429 476680799 /nfs/dbraw/zinc/68/07/99/476680799.db2.gz LWIIUSFMKJCQGE-UHFFFAOYSA-N 0 2 339.351 2.933 20 5 EFBDLN O=C(NCc1ccc2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1O ZINC000444532250 476724554 /nfs/dbraw/zinc/72/45/54/476724554.db2.gz FRSASCUHGCDJCI-UHFFFAOYSA-N 0 2 327.340 2.504 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cnc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000430080127 476750709 /nfs/dbraw/zinc/75/07/09/476750709.db2.gz XLRUKPTUFTXSDM-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(F)(c2cccnc2)CC1 ZINC000375910638 477077820 /nfs/dbraw/zinc/07/78/20/477077820.db2.gz VNHNHPRTPKHJKA-UHFFFAOYSA-N 0 2 345.330 2.796 20 5 EFBDLN Cc1ccc([C@H](C)NC(=O)N=c2ccc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000448152934 477139094 /nfs/dbraw/zinc/13/90/94/477139094.db2.gz CICQPESHIHWQGT-NSHDSACASA-N 0 2 341.371 2.875 20 5 EFBDLN O=C(Nc1nc2c(s1)CSCC2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000376106257 477178717 /nfs/dbraw/zinc/17/87/17/477178717.db2.gz HDZILWXRVGDIBC-UHFFFAOYSA-N 0 2 337.382 2.799 20 5 EFBDLN C[C@@H](CCCc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000457906704 477252091 /nfs/dbraw/zinc/25/20/91/477252091.db2.gz JGHXIPZVJVKEJN-LBPRGKRZSA-N 0 2 329.356 2.837 20 5 EFBDLN COc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])ccc1F ZINC000436175338 477433712 /nfs/dbraw/zinc/43/37/12/477433712.db2.gz AAZWZAINVBKXAL-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CCO2 ZINC000367344959 477464829 /nfs/dbraw/zinc/46/48/29/477464829.db2.gz CHIWFPQXFKMLGE-UHFFFAOYSA-N 0 2 328.324 2.644 20 5 EFBDLN O=[N+]([O-])c1ccc(O)cc1CSc1n[nH]c(-c2ccccn2)n1 ZINC000436474254 477486344 /nfs/dbraw/zinc/48/63/44/477486344.db2.gz KGKKHTQRZOLBSY-UHFFFAOYSA-N 0 2 329.341 2.773 20 5 EFBDLN O=[N+]([O-])c1ccc(O)cc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000436474254 477486349 /nfs/dbraw/zinc/48/63/49/477486349.db2.gz KGKKHTQRZOLBSY-UHFFFAOYSA-N 0 2 329.341 2.773 20 5 EFBDLN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436605553 477531290 /nfs/dbraw/zinc/53/12/90/477531290.db2.gz OZFIBLPBSBZPHQ-UHFFFAOYSA-N 0 2 340.295 2.648 20 5 EFBDLN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)N(C)c1ccccc1 ZINC000436673232 477553642 /nfs/dbraw/zinc/55/36/42/477553642.db2.gz QFXUBRFOWCFBJC-LBPRGKRZSA-N 0 2 329.356 2.555 20 5 EFBDLN CCOc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436673037 477554162 /nfs/dbraw/zinc/55/41/62/477554162.db2.gz INBKIDWCEKUTMA-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000436675959 477556237 /nfs/dbraw/zinc/55/62/37/477556237.db2.gz ZBHMGTYLTLHTKT-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN COc1cc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436720012 477571253 /nfs/dbraw/zinc/57/12/53/477571253.db2.gz BTYOWJLBLDSNBS-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN C[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)OCCc2sccc21 ZINC000436800571 477592838 /nfs/dbraw/zinc/59/28/38/477592838.db2.gz WHDQGPOEBREMBU-MRXNPFEDSA-N 0 2 348.380 2.580 20 5 EFBDLN CCN(C)C(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436802970 477593911 /nfs/dbraw/zinc/59/39/11/477593911.db2.gz HNONFZXTYHWVMV-UHFFFAOYSA-N 0 2 343.339 2.645 20 5 EFBDLN CCOC(=O)c1cnc(C(C)=Cc2ccc(O)c([N+](=O)[O-])c2)[nH]c1=O ZINC000436817572 477599547 /nfs/dbraw/zinc/59/95/47/477599547.db2.gz RXWQZNFWTCGZSF-RMKNXTFCSA-N 0 2 345.311 2.533 20 5 EFBDLN O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000436863319 477618553 /nfs/dbraw/zinc/61/85/53/477618553.db2.gz IQDBDARPXHSKOB-LBPRGKRZSA-N 0 2 344.323 2.720 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436863788 477618765 /nfs/dbraw/zinc/61/87/65/477618765.db2.gz WBOCJAPIWNYCKB-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN CCOc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436864118 477619037 /nfs/dbraw/zinc/61/90/37/477619037.db2.gz YGAHWIPFRWTNBF-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN O=C(NCCc1ccc(Cl)s1)c1ccc([N+](=O)[O-])cc1O ZINC000436867891 477620041 /nfs/dbraw/zinc/62/00/41/477620041.db2.gz FPONSJOVQFYGET-UHFFFAOYSA-N 0 2 326.761 2.988 20 5 EFBDLN COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871862 477621887 /nfs/dbraw/zinc/62/18/87/477621887.db2.gz UHRUJKIQOGCKQQ-SECBINFHSA-N 0 2 334.303 2.939 20 5 EFBDLN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436886837 477626008 /nfs/dbraw/zinc/62/60/08/477626008.db2.gz LXSDGABHKSMABW-HUUCEWRRSA-N 0 2 336.388 2.966 20 5 EFBDLN CC[C@@H](C)Oc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000436961843 477648456 /nfs/dbraw/zinc/64/84/56/477648456.db2.gz VECACQFFOHVHMP-LLVKDONJSA-N 0 2 345.355 2.803 20 5 EFBDLN O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436959219 477649221 /nfs/dbraw/zinc/64/92/21/477649221.db2.gz MCUJPSDHYYPOQT-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436958899 477649335 /nfs/dbraw/zinc/64/93/35/477649335.db2.gz APZFKYFQBYJEBZ-UHFFFAOYSA-N 0 2 342.351 2.771 20 5 EFBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)COCc1ccccc1 ZINC000436969415 477651912 /nfs/dbraw/zinc/65/19/12/477651912.db2.gz YCONHAFABIKHEN-CYBMUJFWSA-N 0 2 344.367 2.883 20 5 EFBDLN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436967124 477652085 /nfs/dbraw/zinc/65/20/85/477652085.db2.gz XGENGZUTCMXBCS-IRXDYDNUSA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(NCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1O ZINC000436980352 477655984 /nfs/dbraw/zinc/65/59/84/477655984.db2.gz PNSYYQABDOHLFM-UHFFFAOYSA-N 0 2 333.369 2.566 20 5 EFBDLN O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436981009 477656586 /nfs/dbraw/zinc/65/65/86/477656586.db2.gz RWYZNKLHPKPAKE-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN CCOC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436990273 477658000 /nfs/dbraw/zinc/65/80/00/477658000.db2.gz OGBKPIFRQHHZGJ-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c(F)cc(F)cc2C1 ZINC000436997734 477660138 /nfs/dbraw/zinc/66/01/38/477660138.db2.gz HOMGLRZXBKNPNK-UHFFFAOYSA-N 0 2 334.278 2.777 20 5 EFBDLN Cc1cccnc1C(C)(C)CNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000427913293 477787217 /nfs/dbraw/zinc/78/72/17/477787217.db2.gz KJMIOVVUACSPOV-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN Cc1oc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C1CC1 ZINC000451057916 477806088 /nfs/dbraw/zinc/80/60/88/477806088.db2.gz ULUVFBVSINEGPW-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000462635193 477913377 /nfs/dbraw/zinc/91/33/77/477913377.db2.gz BFTGCQFAEXFNMD-AWEZNQCLSA-N 0 2 328.372 2.631 20 5 EFBDLN COc1cccc([C@H]2C[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000456499605 477956772 /nfs/dbraw/zinc/95/67/72/477956772.db2.gz AAZDUGWIHXLRLB-HDJSIYSDSA-N 0 2 342.351 2.985 20 5 EFBDLN O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000495266622 478156424 /nfs/dbraw/zinc/15/64/24/478156424.db2.gz UAOCNISZPCKUAP-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000579364433 478282086 /nfs/dbraw/zinc/28/20/86/478282086.db2.gz IOZZQNCKYQFZES-CYBMUJFWSA-N 0 2 348.359 2.576 20 5 EFBDLN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000579364433 478282096 /nfs/dbraw/zinc/28/20/96/478282096.db2.gz IOZZQNCKYQFZES-CYBMUJFWSA-N 0 2 348.359 2.576 20 5 EFBDLN COC(=O)Nc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000495742856 478296306 /nfs/dbraw/zinc/29/63/06/478296306.db2.gz ALLSYXNGXRHCNA-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN Cc1ccc(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc1 ZINC000600310826 478333868 /nfs/dbraw/zinc/33/38/68/478333868.db2.gz SWBHIKJMKDFZRT-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3c2OCC3)c1C ZINC000600661609 478458147 /nfs/dbraw/zinc/45/81/47/478458147.db2.gz ZFFKPFMVBMNPQS-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000570931333 478483570 /nfs/dbraw/zinc/48/35/70/478483570.db2.gz LNCRJQUMFLCRHV-ABAIWWIYSA-N 0 2 330.344 2.577 20 5 EFBDLN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000570931335 478483894 /nfs/dbraw/zinc/48/38/94/478483894.db2.gz LNCRJQUMFLCRHV-NHYWBVRUSA-N 0 2 330.344 2.577 20 5 EFBDLN CCn1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000594701425 478503580 /nfs/dbraw/zinc/50/35/80/478503580.db2.gz NCQRHQVSQFMCDE-UHFFFAOYSA-N 0 2 344.780 2.574 20 5 EFBDLN CCc1ccc(C)nc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000594729850 478516873 /nfs/dbraw/zinc/51/68/73/478516873.db2.gz XGKHKYMTPOPVPT-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594731453 478519260 /nfs/dbraw/zinc/51/92/60/478519260.db2.gz UHESPQUYYIGQET-UHFFFAOYSA-N 0 2 344.780 2.574 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(C(C)C)c1 ZINC000571137939 478527207 /nfs/dbraw/zinc/52/72/07/478527207.db2.gz QVLIARNGRARNSW-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN COc1ccc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)cn1 ZINC000600812858 478530513 /nfs/dbraw/zinc/53/05/13/478530513.db2.gz LAZXLFSDQLNOFH-INIZCTEOSA-N 0 2 343.339 2.585 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c[nH]nc2C2CC2)c1C ZINC000563432099 478558351 /nfs/dbraw/zinc/55/83/51/478558351.db2.gz JZUBZMIFIDETKR-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598307960 478757726 /nfs/dbraw/zinc/75/77/26/478757726.db2.gz MBPADHVOFLSIQU-MLGOLLRUSA-N 0 2 334.372 2.722 20 5 EFBDLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000572728410 478907108 /nfs/dbraw/zinc/90/71/08/478907108.db2.gz NTDKXNYLCGPZFQ-ZDUSSCGKSA-N 0 2 348.359 2.576 20 5 EFBDLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000572728410 478907117 /nfs/dbraw/zinc/90/71/17/478907117.db2.gz NTDKXNYLCGPZFQ-ZDUSSCGKSA-N 0 2 348.359 2.576 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnoc2C2CC2)c(C)c1[N+](=O)[O-] ZINC000598718337 478990197 /nfs/dbraw/zinc/99/01/97/478990197.db2.gz UOKNVQWYWRQRRG-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2noc(C(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000598734022 478995237 /nfs/dbraw/zinc/99/52/37/478995237.db2.gz IHWNCBIXHJTVMK-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595887004 479053301 /nfs/dbraw/zinc/05/33/01/479053301.db2.gz QQVQARMVVSTDNU-UHFFFAOYSA-N 0 2 348.359 2.578 20 5 EFBDLN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595887004 479053306 /nfs/dbraw/zinc/05/33/06/479053306.db2.gz QQVQARMVVSTDNU-UHFFFAOYSA-N 0 2 348.359 2.578 20 5 EFBDLN Cc1cc(N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592977079 479113862 /nfs/dbraw/zinc/11/38/62/479113862.db2.gz ZJSHSMMCDGLBTM-GFCCVEGCSA-N 0 2 342.355 2.687 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000611498125 479396080 /nfs/dbraw/zinc/39/60/80/479396080.db2.gz BHHKEHCILQSGQR-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(N[C@H]1COc2c1cccc2Cl)c1cc([N+](=O)[O-])ccc1O ZINC000611535517 479407580 /nfs/dbraw/zinc/40/75/80/479407580.db2.gz BKYRFZCMQWPWCL-LBPRGKRZSA-N 0 2 334.715 2.817 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000593739431 479441957 /nfs/dbraw/zinc/44/19/57/479441957.db2.gz DIPOEDDRIBDOMV-OAHLLOKOSA-N 0 2 348.380 2.928 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](c3ccsc3)C2)c1 ZINC000593739431 479441962 /nfs/dbraw/zinc/44/19/62/479441962.db2.gz DIPOEDDRIBDOMV-OAHLLOKOSA-N 0 2 348.380 2.928 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000619466291 479802334 /nfs/dbraw/zinc/80/23/34/479802334.db2.gz JJVPJSGINJZYML-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN CC(C)(CO)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000619573938 479832301 /nfs/dbraw/zinc/83/23/01/479832301.db2.gz AVRSCYSLHZQAAR-INIZCTEOSA-N 0 2 344.367 2.790 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000619578224 479833047 /nfs/dbraw/zinc/83/30/47/479833047.db2.gz HMUCKRGEAAVDPY-BMFZPTHFSA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(NC[C@@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609772578 480203781 /nfs/dbraw/zinc/20/37/81/480203781.db2.gz RUIINZSDXPTWQL-GFCCVEGCSA-N 0 2 326.352 2.835 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000614292080 480256420 /nfs/dbraw/zinc/25/64/20/480256420.db2.gz DMCGDIRPNIWMSD-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000614292110 480257017 /nfs/dbraw/zinc/25/70/17/480257017.db2.gz IITXEVJCTKVYMW-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccc(F)cc1 ZINC000075164183 524718477 /nfs/dbraw/zinc/71/84/77/524718477.db2.gz VOQABAPYGVIEKL-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3[nH]cnc32)c1C ZINC000177675250 525558250 /nfs/dbraw/zinc/55/82/50/525558250.db2.gz SXKGWRZKDKWCTR-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000060948712 525748083 /nfs/dbraw/zinc/74/80/83/525748083.db2.gz XPKNMHNDBVDWRW-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN O=[N+]([O-])c1cc(Br)cnc1Nc1ccn(CC(F)F)n1 ZINC000131094068 534880058 /nfs/dbraw/zinc/88/00/58/534880058.db2.gz IWJWPTOEMLMVNX-UHFFFAOYSA-N 0 2 348.107 2.958 20 5 EFBDLN Cc1cnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)s1 ZINC000075455848 526164359 /nfs/dbraw/zinc/16/43/59/526164359.db2.gz YKLBIXONVITTME-CYBMUJFWSA-N 0 2 333.369 2.946 20 5 EFBDLN O=C(CCn1cnc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531470 526684194 /nfs/dbraw/zinc/68/41/94/526684194.db2.gz MWDQVPIYLNPAHU-UHFFFAOYSA-N 0 2 326.312 2.679 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](Nc2ccccc2)C1 ZINC000076969308 526713346 /nfs/dbraw/zinc/71/33/46/526713346.db2.gz ANRVSLQVKCCDJK-AWEZNQCLSA-N 0 2 327.340 2.627 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000076969307 526713905 /nfs/dbraw/zinc/71/39/05/526713905.db2.gz ANRVSLQVKCCDJK-CQSZACIVSA-N 0 2 327.340 2.627 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncc(Br)c1 ZINC000075288539 527131285 /nfs/dbraw/zinc/13/12/85/527131285.db2.gz QZSMFFYPBAUUCR-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN O=C(NC1CCN(c2cccs2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000153410771 527536793 /nfs/dbraw/zinc/53/67/93/527536793.db2.gz MFYVBFHRKAXBAJ-UHFFFAOYSA-N 0 2 347.396 2.761 20 5 EFBDLN CC(C)NC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183443847 527726032 /nfs/dbraw/zinc/72/60/32/527726032.db2.gz KTPLJEZVRKDZNN-UHFFFAOYSA-N 0 2 343.339 2.691 20 5 EFBDLN CCCNC(=O)c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000160026783 528469128 /nfs/dbraw/zinc/46/91/28/528469128.db2.gz SLOMZNYCANMYEH-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000421165190 536541891 /nfs/dbraw/zinc/54/18/91/536541891.db2.gz LRFQYAMLEZGFSK-CYBMUJFWSA-N 0 2 334.369 2.537 20 5 EFBDLN CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000192773637 535619873 /nfs/dbraw/zinc/61/98/73/535619873.db2.gz JZPDYEALNFNMLI-MRXNPFEDSA-N 0 2 330.340 2.808 20 5 EFBDLN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1OC ZINC000342457917 536775534 /nfs/dbraw/zinc/77/55/34/536775534.db2.gz ZQZFASQYAWIGNA-UHFFFAOYSA-N 0 2 332.312 2.878 20 5 EFBDLN COC(=O)C12CCC(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)(CC1)CC2 ZINC000293447483 545724949 /nfs/dbraw/zinc/72/49/49/545724949.db2.gz KEXHISCQJAYKEK-UHFFFAOYSA-N 0 2 348.355 2.753 20 5 EFBDLN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170004981 564104639 /nfs/dbraw/zinc/10/46/39/564104639.db2.gz LCPCIFRFVQYIQT-PBHICJAKSA-N 0 2 342.351 2.808 20 5 EFBDLN CC(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC000754954476 575518548 /nfs/dbraw/zinc/51/85/48/575518548.db2.gz MYKCQVCLUYEMQB-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1ccc(O)c([N+](=O)[O-])c1)CC2 ZINC000755850449 575645218 /nfs/dbraw/zinc/64/52/18/575645218.db2.gz ZPGWGENIDAODJS-UHFFFAOYSA-N 0 2 343.295 2.720 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738068079 577426440 /nfs/dbraw/zinc/42/64/40/577426440.db2.gz FAKPFVXSUWKNHT-INIZCTEOSA-N 0 2 330.340 2.861 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000738068079 577426441 /nfs/dbraw/zinc/42/64/41/577426441.db2.gz FAKPFVXSUWKNHT-INIZCTEOSA-N 0 2 330.340 2.861 20 5 EFBDLN O=Cc1cccc(OCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000770855219 581141950 /nfs/dbraw/zinc/14/19/50/581141950.db2.gz AFHIZAXTUAFESE-UHFFFAOYSA-N 0 2 330.296 2.521 20 5 EFBDLN O=C([O-])C1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCCCC1 ZINC000739520646 600150984 /nfs/dbraw/zinc/15/09/84/600150984.db2.gz XHFPGJCIBNCGKH-UHFFFAOYSA-N 0 2 346.343 2.522 20 5 EFBDLN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000821508621 604529764 /nfs/dbraw/zinc/52/97/64/604529764.db2.gz CAWOGGPOPXEJII-ZDUSSCGKSA-N 0 2 333.369 2.767 20 5 EFBDLN O=C([O-])[C@@H]1CCC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000821508621 604529765 /nfs/dbraw/zinc/52/97/65/604529765.db2.gz CAWOGGPOPXEJII-ZDUSSCGKSA-N 0 2 333.369 2.767 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1 ZINC000729921734 1264101263 /nfs/dbraw/zinc/10/12/63/1264101263.db2.gz ZRHUUNSWMVPDMN-UHFFFAOYSA-N 0 2 331.350 2.554 20 5 EFBDLN CCCn1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000743261765 1270493913 /nfs/dbraw/zinc/49/39/13/1270493913.db2.gz JMKHZYBZSTUGLO-UHFFFAOYSA-N 0 2 344.780 2.656 20 5 EFBDLN Cn1ccc2cccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)c21 ZINC000788063283 1276019839 /nfs/dbraw/zinc/01/98/39/1276019839.db2.gz PXILQYYLOZUSME-UHFFFAOYSA-N 0 2 337.382 2.949 20 5 EFBDLN CS(C)(=O)=Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000820368551 1277154145 /nfs/dbraw/zinc/15/41/45/1277154145.db2.gz KRJSEUIDTOVWMA-UHFFFAOYSA-N 0 2 349.368 2.912 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cccc(OC(F)(F)F)c2)no1 ZINC000844873096 1279327687 /nfs/dbraw/zinc/32/76/87/1279327687.db2.gz MYTBCJFOWYLBAV-NXEZZACHSA-N 0 2 329.234 2.692 20 5 EFBDLN Cc1c(Cl)nccc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000811836270 1284667046 /nfs/dbraw/zinc/66/70/46/1284667046.db2.gz LSZLAQWEYHRPLR-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN CCOC(=O)/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccnc(F)c1 ZINC000812247342 1284999577 /nfs/dbraw/zinc/99/95/77/1284999577.db2.gz JSBKAKIJGFBUQG-KPKJPENVSA-N 0 2 332.287 2.938 20 5 EFBDLN C[C@@H]1C[C@H]1c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n(-c2ccccc2)n1 ZINC000876335581 1290899219 /nfs/dbraw/zinc/89/92/19/1290899219.db2.gz ILSJOCIYCHAQGN-BPGGGUHBSA-N 0 2 326.356 2.599 20 5 EFBDLN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766209 1292263435 /nfs/dbraw/zinc/26/34/35/1292263435.db2.gz VUAIBFUCHNMOFK-IINYFYTJSA-N 0 2 345.321 2.799 20 5 EFBDLN CNc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000776199259 1296976891 /nfs/dbraw/zinc/97/68/91/1296976891.db2.gz CPDIIWKLYRSYEU-UHFFFAOYSA-N 0 2 332.272 2.503 20 5 EFBDLN C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000853986993 1300377149 /nfs/dbraw/zinc/37/71/49/1300377149.db2.gz XLRQEOWXYGPVQW-SCZZXKLOSA-N 0 2 349.284 2.627 20 5 EFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccoc2)ccc1Br ZINC000795346178 1300825184 /nfs/dbraw/zinc/82/51/84/1300825184.db2.gz NBGXYVONZZRQPO-UHFFFAOYSA-N 0 2 347.146 2.751 20 5 EFBDLN Cc1cc(C)nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000801616559 1310601082 /nfs/dbraw/zinc/60/10/82/1310601082.db2.gz HBSJNCVVQGNTKL-UHFFFAOYSA-N 0 2 338.327 2.644 20 5 EFBDLN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225878440 1311585619 /nfs/dbraw/zinc/58/56/19/1311585619.db2.gz BYHUFPHPRNBIOI-YFKPBYRVSA-N 0 2 349.240 2.829 20 5 EFBDLN COc1ccccc1[C@@H](C)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625076 1311832674 /nfs/dbraw/zinc/83/26/74/1311832674.db2.gz NYKSCNNFUBOXIC-MRVPVSSYSA-N 0 2 337.357 2.961 20 5 EFBDLN CSc1nc(OC[C@@H]2CCc3ccccc3O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624919 1311832762 /nfs/dbraw/zinc/83/27/62/1311832762.db2.gz IZBPJDYXIRCTJU-JTQLQIEISA-N 0 2 349.368 2.585 20 5 EFBDLN CSc1nc(O[C@@H](C)COc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624918 1311832974 /nfs/dbraw/zinc/83/29/74/1311832974.db2.gz IWVQLFMXNLVRBW-VIFPVBQESA-N 0 2 337.357 2.659 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC[C@@H]4CC[C@H](C)O4)c3nc2cc1C ZINC001228683599 1311981743 /nfs/dbraw/zinc/98/17/43/1311981743.db2.gz AZUSDGPXECLGLA-RYUDHWBXSA-N 0 2 340.383 2.842 20 5 EFBDLN CC[C@@H](COC)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685454 1311981922 /nfs/dbraw/zinc/98/19/22/1311981922.db2.gz HHKJRUTWTLDUHC-NSHDSACASA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H](C)c4ncccn4)c3nc2cc1C ZINC001228686844 1311982532 /nfs/dbraw/zinc/98/25/32/1311982532.db2.gz QMLHAXOQSLCHFI-NSHDSACASA-N 0 2 348.366 2.825 20 5 EFBDLN CC(C)C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(=O)OC(C)C ZINC001228970159 1312028855 /nfs/dbraw/zinc/02/88/55/1312028855.db2.gz GKUGMAVLDWSENQ-ZDUSSCGKSA-N 0 2 327.333 2.751 20 5 EFBDLN CCCCOC[C@@H](C)OC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972655 1312029878 /nfs/dbraw/zinc/02/98/78/1312029878.db2.gz BRQLPDYTMMGTDY-NEPJUHHUSA-N 0 2 343.376 2.995 20 5 EFBDLN C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cc(Br)no1 ZINC001228973725 1312029956 /nfs/dbraw/zinc/02/99/56/1312029956.db2.gz LYNNWINRHPHIIS-RXMQYKEDSA-N 0 2 345.105 2.897 20 5 EFBDLN CC(C)(C)C(=O)OC1CC(Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972268 1312030165 /nfs/dbraw/zinc/03/01/65/1312030165.db2.gz VDAVTQCABRDJRD-UHFFFAOYSA-N 0 2 325.317 2.505 20 5 EFBDLN CCOC(=O)[C@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975295 1312030502 /nfs/dbraw/zinc/03/05/02/1312030502.db2.gz ZDWHZYSETRJNFD-ONGXEEELSA-N 0 2 325.317 2.507 20 5 EFBDLN CCCSc1nc(O[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793387 1312140649 /nfs/dbraw/zinc/14/06/49/1312140649.db2.gz ZLDHVQMYPHOIAZ-IUCAKERBSA-N 0 2 329.378 2.539 20 5 EFBDLN CCCSc1nc(O[C@H](CC)C(=O)CC)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790981 1312140685 /nfs/dbraw/zinc/14/06/85/1312140685.db2.gz DXICEMDCLNDXOG-SECBINFHSA-N 0 2 329.378 2.729 20 5 EFBDLN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001163110819 1312242767 /nfs/dbraw/zinc/24/27/67/1312242767.db2.gz JYPAQEVDNVGKAJ-UHFFFAOYSA-N 0 2 326.316 2.515 20 5 EFBDLN Cc1c(=O)[nH]n(-c2ccccc2)c1Nc1ncc([N+](=O)[O-])cc1N ZINC001163116759 1312244471 /nfs/dbraw/zinc/24/44/71/1312244471.db2.gz UMHZLHWYXUTFEC-UHFFFAOYSA-N 0 2 326.316 2.515 20 5 EFBDLN COc1cnc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)c(C)c1 ZINC001247986532 1314878388 /nfs/dbraw/zinc/87/83/88/1314878388.db2.gz FPGVZTLKUGDUIR-UHFFFAOYSA-N 0 2 342.311 2.653 20 5 EFBDLN O=[N+]([O-])c1cc(Cc2nc(-c3ccc4c(c3)OCO4)no2)ccc1O ZINC001247987541 1314878731 /nfs/dbraw/zinc/87/87/31/1314878731.db2.gz GXARVHZTJIGEPS-UHFFFAOYSA-N 0 2 341.279 2.670 20 5 EFBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001216682504 1314992814 /nfs/dbraw/zinc/99/28/14/1314992814.db2.gz UQXRBWSVSBWAHR-UHFFFAOYSA-N 0 2 341.279 2.789 20 5 EFBDLN COc1cccc(-c2nnc(Cc3ccc(O)c([N+](=O)[O-])c3)o2)c1 ZINC001253285482 1315589586 /nfs/dbraw/zinc/58/95/86/1315589586.db2.gz CUYJADGGGPGSJE-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN CON(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](C)c1csc(C)n1 ZINC001324558742 1329639777 /nfs/dbraw/zinc/63/97/77/1329639777.db2.gz UORITRLNLPJPGG-MRVPVSSYSA-N 0 2 337.357 2.830 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCSC[C@H]1C ZINC001339653539 1331921266 /nfs/dbraw/zinc/92/12/66/1331921266.db2.gz RFGZLTLZGCLECP-SNVBAGLBSA-N 0 2 349.416 2.521 20 5 EFBDLN CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001340017492 1332128503 /nfs/dbraw/zinc/12/85/03/1332128503.db2.gz MLYSCUBIYZOTAL-PWSUYJOCSA-N 0 2 331.376 2.721 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001340019360 1332128829 /nfs/dbraw/zinc/12/88/29/1332128829.db2.gz WDVNFAJWUKLLNQ-CYBMUJFWSA-N 0 2 343.387 2.865 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCSC1 ZINC001341197227 1332241853 /nfs/dbraw/zinc/24/18/53/1332241853.db2.gz VATSUHMGBHIQLE-LLVKDONJSA-N 0 2 349.416 2.521 20 5 EFBDLN C[C@@H]1CCCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)CC1 ZINC001341704108 1332278022 /nfs/dbraw/zinc/27/80/22/1332278022.db2.gz QFEGIHCHUYICTQ-LLVKDONJSA-N 0 2 331.376 2.722 20 5 EFBDLN C[C@H]1CCCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1CC1CC1 ZINC001346839449 1332694434 /nfs/dbraw/zinc/69/44/34/1332694434.db2.gz RMYUZXQOSDFRMB-NSHDSACASA-N 0 2 343.387 2.958 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC(C)(C)CC1 ZINC001355661814 1334843377 /nfs/dbraw/zinc/84/33/77/1334843377.db2.gz PWCCYDUOQVMQFL-UHFFFAOYSA-N 0 2 331.376 2.722 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000849336564 1335593597 /nfs/dbraw/zinc/59/35/97/1335593597.db2.gz CQONFMBHHRDVLX-UHFFFAOYSA-N 0 2 344.780 2.574 20 5 EFBDLN Cc1ccc(-c2nnn[n-]2)c(NCc2cc([N+](=O)[O-])ccc2Cl)[nH+]1 ZINC000826276644 1426455360 /nfs/dbraw/zinc/45/53/60/1426455360.db2.gz PNAPFWMYDKQYPI-UHFFFAOYSA-N 0 2 345.750 2.744 20 5 EFBDLN CCc1ccc(O)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120274169 713044615 /nfs/dbraw/zinc/04/46/15/713044615.db2.gz IGLIXLIUKZYHNX-UHFFFAOYSA-N 0 2 328.371 2.725 20 5 EFBDLN O=C(COc1ccc2c(c1)CCC2)Nc1cc([N+](=O)[O-])ccc1O ZINC000120879209 713478532 /nfs/dbraw/zinc/47/85/32/713478532.db2.gz VTMYUOLYUJLODZ-UHFFFAOYSA-N 0 2 328.324 2.807 20 5 EFBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000153012101 726370539 /nfs/dbraw/zinc/37/05/39/726370539.db2.gz NZTLIJHLLXQQLC-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])s1 ZINC000174019867 728645101 /nfs/dbraw/zinc/64/51/01/728645101.db2.gz QXFSEPLSBJAXAI-UHFFFAOYSA-N 0 2 331.350 2.554 20 5 EFBDLN CCCn1cc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000175023868 729470568 /nfs/dbraw/zinc/47/05/68/729470568.db2.gz ZTGCDYVSGBRAKU-UHFFFAOYSA-N 0 2 338.389 2.619 20 5 EFBDLN CCC[N@H+](CC(=O)[O-])[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001589667663 949909281 /nfs/dbraw/zinc/90/92/81/949909281.db2.gz KCBVGXXUHYROJU-JTQLQIEISA-N 0 2 334.332 2.502 20 5 EFBDLN CCC[N@@H+](CC(=O)[O-])[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001589667663 949909298 /nfs/dbraw/zinc/90/92/98/949909298.db2.gz KCBVGXXUHYROJU-JTQLQIEISA-N 0 2 334.332 2.502 20 5 EFBDLN C[C@@](CC(=O)[O-])([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC001592316916 977697143 /nfs/dbraw/zinc/69/71/43/977697143.db2.gz GDGLJSDBOHOKHU-INIZCTEOSA-N 0 2 333.319 2.609 20 5 EFBDLN C[C@@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000844214367 979373681 /nfs/dbraw/zinc/37/36/81/979373681.db2.gz GATHYGZGXNGBIG-MLGOLLRUSA-N 0 2 344.371 2.506 20 5 EFBDLN COc1cccc2c1C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001599691299 991073121 /nfs/dbraw/zinc/07/31/21/991073121.db2.gz AWNDHKULRHIJES-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1cccc2c1C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC001599691299 991073124 /nfs/dbraw/zinc/07/31/24/991073124.db2.gz AWNDHKULRHIJES-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN C[C@]([NH2+]Cc1cc2cccnc2o1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593292080 994675076 /nfs/dbraw/zinc/67/50/76/994675076.db2.gz HJJRVJXNBWMVPO-QGZVFWFLSA-N 0 2 341.323 2.826 20 5 EFBDLN COC[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(C)o1 ZINC001599176859 996863702 /nfs/dbraw/zinc/86/37/02/996863702.db2.gz IJJMURGLKFJZRP-CYBMUJFWSA-N 0 2 334.328 2.672 20 5 EFBDLN Cc1noc(C[NH2+][C@@](C)(CC(=O)[O-])c2cccc(F)c2)c1[N+](=O)[O-] ZINC001600814903 1095352206 /nfs/dbraw/zinc/35/22/06/1095352206.db2.gz OMQZDCPHGZAWFU-HNNXBMFYSA-N 0 2 337.307 2.510 20 5 EFBDLN O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1NCCNc1cccc[nH+]1 ZINC001602298599 1096164414 /nfs/dbraw/zinc/16/44/14/1096164414.db2.gz NVWBPWNZYCMKSH-UHFFFAOYSA-N 0 2 336.735 2.865 20 5 EFBDLN O=C([O-])c1ccc(F)c2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001602367716 1096208533 /nfs/dbraw/zinc/20/85/33/1096208533.db2.gz LGCQRPXZQPGWGH-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc(F)c2c1C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC001602367716 1096208539 /nfs/dbraw/zinc/20/85/39/1096208539.db2.gz LGCQRPXZQPGWGH-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC001602404828 1096223723 /nfs/dbraw/zinc/22/37/23/1096223723.db2.gz HDBCLHUBANDOSJ-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC001602404828 1096223727 /nfs/dbraw/zinc/22/37/27/1096223727.db2.gz HDBCLHUBANDOSJ-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN CN(CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1cccc[nH+]1 ZINC001606122744 1097322399 /nfs/dbraw/zinc/32/23/99/1097322399.db2.gz UJPFNIODEIRXME-UHFFFAOYSA-N 0 2 330.344 2.626 20 5 EFBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(Nc2ccc3c(c2)[nH+]cn3C)n1 ZINC001607588216 1097667968 /nfs/dbraw/zinc/66/79/68/1097667968.db2.gz WFOXRMACRBMVAV-UHFFFAOYSA-N 0 2 327.300 2.627 20 5 EFBDLN Cc1cc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1C(=O)[O-] ZINC001607638205 1097685426 /nfs/dbraw/zinc/68/54/26/1097685426.db2.gz OWYYZQOAGWYGEU-UHFFFAOYSA-N 0 2 342.351 2.865 20 5 EFBDLN O=C([O-])c1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001608921195 1098072492 /nfs/dbraw/zinc/07/24/92/1098072492.db2.gz IXWBSBGJKCIFSR-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc2c(c1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001608921195 1098072495 /nfs/dbraw/zinc/07/24/95/1098072495.db2.gz IXWBSBGJKCIFSR-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc2c(c1)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001608921062 1098072791 /nfs/dbraw/zinc/07/27/91/1098072791.db2.gz ACKAZHCSDSVKOS-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc2c(c1)CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001608921062 1098072797 /nfs/dbraw/zinc/07/27/97/1098072797.db2.gz ACKAZHCSDSVKOS-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN Cc1cc(NCCc2cn3ccccc3[nH+]2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001610475046 1098698975 /nfs/dbraw/zinc/69/89/75/1098698975.db2.gz MRCXTKJCGRDPBS-UHFFFAOYSA-N 0 2 340.339 2.904 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOc3ccccc3C2)c1 ZINC001610841895 1098928856 /nfs/dbraw/zinc/92/88/56/1098928856.db2.gz JLTRIFKCJLUDTF-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCOc3ccccc3C2)c1 ZINC001610841895 1098928867 /nfs/dbraw/zinc/92/88/67/1098928867.db2.gz JLTRIFKCJLUDTF-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1cccc2c1CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001610850414 1098935856 /nfs/dbraw/zinc/93/58/56/1098935856.db2.gz ALIYNNMYDZRTTE-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001610850414 1098935864 /nfs/dbraw/zinc/93/58/64/1098935864.db2.gz ALIYNNMYDZRTTE-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C)s1 ZINC000443456491 1111112045 /nfs/dbraw/zinc/11/20/45/1111112045.db2.gz QONWTDVKOCZJNM-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN COc1ncc([N+](=O)[O-])c(N[C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168477813 1111339179 /nfs/dbraw/zinc/33/91/79/1111339179.db2.gz MRSNKAMHTHQWJQ-SECBINFHSA-N 0 2 329.238 2.504 20 5 EFBDLN O=C(N[C@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000190250365 303967374 /nfs/dbraw/zinc/96/73/74/303967374.db2.gz PKBHLBOKTFUKSI-ZDUSSCGKSA-N 0 2 328.324 2.813 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000174022302 529664133 /nfs/dbraw/zinc/66/41/33/529664133.db2.gz UDWFJFZWDGZMAE-UHFFFAOYSA-N 0 2 331.350 2.554 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccnn1C(C)C ZINC000178419667 232161979 /nfs/dbraw/zinc/16/19/79/232161979.db2.gz WTAMIMIUAJPASZ-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)SCC(=O)N2 ZINC000368169316 303999343 /nfs/dbraw/zinc/99/93/43/303999343.db2.gz XOBQPBXFYMWEFV-UHFFFAOYSA-N 0 2 345.336 2.597 20 5 EFBDLN O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078361507 304002923 /nfs/dbraw/zinc/00/29/23/304002923.db2.gz ZWJGZIYWZLEGOG-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(OC)c1OC ZINC000035310600 213019737 /nfs/dbraw/zinc/01/97/37/213019737.db2.gz UVRQPYALQWUPTL-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000190238266 238322761 /nfs/dbraw/zinc/32/27/61/238322761.db2.gz JYOLOSKEHKXZLX-GUYCJALGSA-N 0 2 342.351 2.808 20 5 EFBDLN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000162746645 239095905 /nfs/dbraw/zinc/09/59/05/239095905.db2.gz YHTDEVPYVZYELN-RNCFNFMXSA-N 0 2 336.369 2.604 20 5 EFBDLN COCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2o1 ZINC000175278508 239264021 /nfs/dbraw/zinc/26/40/21/239264021.db2.gz VLSZZXJHROENBQ-UHFFFAOYSA-N 0 2 343.295 2.840 20 5 EFBDLN CC(C)CCn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000194648439 240169016 /nfs/dbraw/zinc/16/90/16/240169016.db2.gz AFVAZRWTOGZSBY-UHFFFAOYSA-N 0 2 338.389 2.638 20 5 EFBDLN Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000194741489 240173540 /nfs/dbraw/zinc/17/35/40/240173540.db2.gz TWOBGLRGLFXLKP-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000132664210 223353099 /nfs/dbraw/zinc/35/30/99/223353099.db2.gz GUDYBJWVQUGNTJ-UHFFFAOYSA-N 0 2 343.336 2.702 20 5 EFBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000428668852 247519837 /nfs/dbraw/zinc/51/98/37/247519837.db2.gz UEBLLYUAWCQUIM-FZMZJTMJSA-N 0 2 338.429 2.940 20 5 EFBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436674449 249569426 /nfs/dbraw/zinc/56/94/26/249569426.db2.gz HXVGGJLYDCEGGE-UHFFFAOYSA-N 0 2 336.294 2.893 20 5 EFBDLN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670678 249570073 /nfs/dbraw/zinc/57/00/73/249570073.db2.gz RXWLEUHCGQLNJB-IAQYHMDHSA-N 0 2 336.388 2.872 20 5 EFBDLN CC(C)C(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000436819011 249602926 /nfs/dbraw/zinc/60/29/26/249602926.db2.gz LWQILTCPRIYFBA-UHFFFAOYSA-N 0 2 344.327 2.542 20 5 EFBDLN CCOC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436946907 249637079 /nfs/dbraw/zinc/63/70/79/249637079.db2.gz KRGOJEQOKACTPV-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN Cc1ccc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n[nH]2)o1 ZINC000442237784 250074350 /nfs/dbraw/zinc/07/43/50/250074350.db2.gz HJTGJFYPBVPXEO-UHFFFAOYSA-N 0 2 348.340 2.687 20 5 EFBDLN Cc1ccc(-c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)[nH]n2)o1 ZINC000442237784 250074353 /nfs/dbraw/zinc/07/43/53/250074353.db2.gz HJTGJFYPBVPXEO-UHFFFAOYSA-N 0 2 348.340 2.687 20 5 EFBDLN Cc1nc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000095447376 218391156 /nfs/dbraw/zinc/39/11/56/218391156.db2.gz JFTNHASIBBVUFP-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000118529091 221154745 /nfs/dbraw/zinc/15/47/45/221154745.db2.gz VLZOIMQQNWKABJ-SWLSCSKDSA-N 0 2 336.388 2.872 20 5 EFBDLN C[C@H](O)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000119420292 221315505 /nfs/dbraw/zinc/31/55/05/221315505.db2.gz IPGSQKFWVWIWQX-SWLSCSKDSA-N 0 2 344.367 2.585 20 5 EFBDLN C[C@@H](O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000119420162 221316129 /nfs/dbraw/zinc/31/61/29/221316129.db2.gz IPGSQKFWVWIWQX-DOMZBBRYSA-N 0 2 344.367 2.585 20 5 EFBDLN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n[nH]2)cc1 ZINC000028856602 292034009 /nfs/dbraw/zinc/03/40/09/292034009.db2.gz AFBKAHJFZCJQFM-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN CC(C)(C)c1csc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000104928799 141355779 /nfs/dbraw/zinc/35/57/79/141355779.db2.gz XCDJTKXOHSGGTD-UHFFFAOYSA-N 0 2 335.385 2.984 20 5 EFBDLN CN(CCOc1ccccc1Cl)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000344974203 142105805 /nfs/dbraw/zinc/10/58/05/142105805.db2.gz GRYVJIQVKOMQBA-UHFFFAOYSA-N 0 2 349.774 2.981 20 5 EFBDLN CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000345006958 142111183 /nfs/dbraw/zinc/11/11/83/142111183.db2.gz CZZDFBAPGNXKMC-CABCVRRESA-N 0 2 342.351 2.985 20 5 EFBDLN CSc1ccc(C(=O)N=c2ccc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000341177153 145007010 /nfs/dbraw/zinc/00/70/10/145007010.db2.gz CNTCASRICGJXQS-UHFFFAOYSA-N 0 2 330.369 2.658 20 5 EFBDLN Cc1ccc([C@H](C)NC(=O)N=c2cc(C)c(C)n[nH]2)cc1[N+](=O)[O-] ZINC000343555474 145237052 /nfs/dbraw/zinc/23/70/52/145237052.db2.gz KHFSCECGIRYBNV-LBPRGKRZSA-N 0 2 329.360 2.615 20 5 EFBDLN O=C(NCCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(O)c1F ZINC000349107213 146053928 /nfs/dbraw/zinc/05/39/28/146053928.db2.gz JJWBLEGRBZGKAJ-UHFFFAOYSA-N 0 2 340.257 2.690 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3c[nH]nc32)c1 ZINC000351515638 146135810 /nfs/dbraw/zinc/13/58/10/146135810.db2.gz CNUHSHFFGIAGAS-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)oc1C ZINC000351603412 146156210 /nfs/dbraw/zinc/15/62/10/146156210.db2.gz LHAKAUOXYXENTF-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(C)c1C ZINC000351775978 146201215 /nfs/dbraw/zinc/20/12/15/146201215.db2.gz WWTYINWTZYPXBC-UHFFFAOYSA-N 0 2 344.323 2.956 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2nc3ccc(F)cc3s2)[nH]1 ZINC000352012540 146264416 /nfs/dbraw/zinc/26/44/16/146264416.db2.gz BMQVHKCLFAJACI-ONEGZZNKSA-N 0 2 334.288 2.715 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)cs2)[nH]1 ZINC000352013973 146265560 /nfs/dbraw/zinc/26/55/60/146265560.db2.gz NDWCCMXHFJSHOJ-UPHRSURJSA-N 0 2 344.146 2.790 20 5 EFBDLN CC(C)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC000353082069 146392233 /nfs/dbraw/zinc/39/22/33/146392233.db2.gz ORCJDOSDHQKJOY-UHFFFAOYSA-N 0 2 330.340 2.888 20 5 EFBDLN Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1[N+](=O)[O-] ZINC000355793939 147066071 /nfs/dbraw/zinc/06/60/71/147066071.db2.gz BSLQMZZVBCTSAL-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN CC1(C)C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc21 ZINC000356299422 147204339 /nfs/dbraw/zinc/20/43/39/147204339.db2.gz VGZUVTPGMRULHA-UHFFFAOYSA-N 0 2 341.323 2.782 20 5 EFBDLN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000361845419 148711566 /nfs/dbraw/zinc/71/15/66/148711566.db2.gz ZOLOSCRTZFTYQQ-UHFFFAOYSA-N 0 2 332.213 2.739 20 5 EFBDLN COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000368421735 150114495 /nfs/dbraw/zinc/11/44/95/150114495.db2.gz GVEBFGCMZCQKHO-UHFFFAOYSA-N 0 2 340.335 2.848 20 5 EFBDLN O=C(NC1CC(OCc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000368656030 150172420 /nfs/dbraw/zinc/17/24/20/150172420.db2.gz RWLMWLQXPRHBMT-UHFFFAOYSA-N 0 2 342.351 2.778 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1c1ccccc1 ZINC000373270516 151144851 /nfs/dbraw/zinc/14/48/51/151144851.db2.gz LJAMTBWBGUHYLL-OAHLLOKOSA-N 0 2 327.340 2.908 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000182090129 304503750 /nfs/dbraw/zinc/50/37/50/304503750.db2.gz RHIOHWFTZIRLRC-GXTWGEPZSA-N 0 2 332.356 2.664 20 5 EFBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000084406855 264625765 /nfs/dbraw/zinc/62/57/65/264625765.db2.gz XDHJLUVGLLZMMG-HNNXBMFYSA-N 0 2 334.303 2.557 20 5 EFBDLN CN(CCOc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184612403 265023604 /nfs/dbraw/zinc/02/36/04/265023604.db2.gz MFIUGUKLPWVULZ-UHFFFAOYSA-N 0 2 334.303 2.591 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000271475238 265986579 /nfs/dbraw/zinc/98/65/79/265986579.db2.gz ZYPZBNGIEQLWAR-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN CC(=O)Nc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089531422 272996281 /nfs/dbraw/zinc/99/62/81/272996281.db2.gz YTXVNRVKAFFUHQ-RUDMXATFSA-N 0 2 341.323 2.911 20 5 EFBDLN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000276811009 267052887 /nfs/dbraw/zinc/05/28/87/267052887.db2.gz ZSTNXOPDJXWFDX-ZDUSSCGKSA-N 0 2 334.372 2.912 20 5 EFBDLN Cc1ccc(NCCCNC(=O)[C@H](F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000277311040 267152574 /nfs/dbraw/zinc/15/25/74/267152574.db2.gz BOSRDDYWAQOPDF-NSHDSACASA-N 0 2 337.273 2.722 20 5 EFBDLN Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000277311040 267152575 /nfs/dbraw/zinc/15/25/75/267152575.db2.gz BOSRDDYWAQOPDF-NSHDSACASA-N 0 2 337.273 2.722 20 5 EFBDLN CC[C@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccn1 ZINC000181921932 273045751 /nfs/dbraw/zinc/04/57/51/273045751.db2.gz RVZNDQRKBAHELX-NSHDSACASA-N 0 2 345.355 2.803 20 5 EFBDLN CC(C)n1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000280994821 273389379 /nfs/dbraw/zinc/38/93/79/273389379.db2.gz NDUVNFRDCRYGQW-UHFFFAOYSA-N 0 2 344.780 2.826 20 5 EFBDLN Cc1cncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000080299385 292802018 /nfs/dbraw/zinc/80/20/18/292802018.db2.gz MWQZEXXCYOMWLT-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000121575623 292948481 /nfs/dbraw/zinc/94/84/81/292948481.db2.gz DXOCKIFOFTVFMD-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000132683416 293234819 /nfs/dbraw/zinc/23/48/19/293234819.db2.gz FPBGITHLZVFHLL-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000154682894 293436884 /nfs/dbraw/zinc/43/68/84/293436884.db2.gz ZVANTAHTSGGGMV-UHFFFAOYSA-N 0 2 345.142 2.833 20 5 EFBDLN COc1cc(S(=O)(=O)Nc2cc(C3CC3)ccn2)ccc1[N+](=O)[O-] ZINC000290987545 294239154 /nfs/dbraw/zinc/23/91/54/294239154.db2.gz SOVKSDCJTFXVFH-UHFFFAOYSA-N 0 2 349.368 2.677 20 5 EFBDLN Cc1nsc(NC2CC2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000293548365 294997070 /nfs/dbraw/zinc/99/70/70/294997070.db2.gz UCFNSJGSAMMBJI-UHFFFAOYSA-N 0 2 334.357 2.892 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1cccnc1 ZINC000294000317 295096246 /nfs/dbraw/zinc/09/62/46/295096246.db2.gz YSFJVEZUWPJZBI-HNNXBMFYSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1OCCc2sccc21 ZINC000294276807 295139979 /nfs/dbraw/zinc/13/99/79/295139979.db2.gz QEEGOXHOCNQBCO-PSLIRLAXSA-N 0 2 348.380 2.794 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1OCCc2sccc21 ZINC000294373214 295155977 /nfs/dbraw/zinc/15/59/77/295155977.db2.gz VPEODCXEABJMBX-BJOHPYRUSA-N 0 2 348.380 2.794 20 5 EFBDLN COc1cccc2c1CCCN2C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000353301473 295334560 /nfs/dbraw/zinc/33/45/60/295334560.db2.gz GOLOSACBKDJWDN-UHFFFAOYSA-N 0 2 328.324 2.902 20 5 EFBDLN COCc1nnc([C@@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000295599176 295347049 /nfs/dbraw/zinc/34/70/49/295347049.db2.gz CSSYFKOSBQTNNV-NSHDSACASA-N 0 2 337.405 2.648 20 5 EFBDLN CCOCc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000295805649 295378718 /nfs/dbraw/zinc/37/87/18/295378718.db2.gz FFTVVJZIPPBDQM-GQCTYLIASA-N 0 2 347.327 2.512 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1[C@@H]1CCCCC1=O ZINC000187807828 304532866 /nfs/dbraw/zinc/53/28/66/304532866.db2.gz ZOGZUYGWRJAROF-GXTWGEPZSA-N 0 2 332.356 2.664 20 5 EFBDLN C[C@@]1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000182107388 297927102 /nfs/dbraw/zinc/92/71/02/297927102.db2.gz NTHNNRDOISPNEX-SFHVURJKSA-N 0 2 342.351 2.688 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](c2ccccc2)CO1 ZINC000187497459 300194500 /nfs/dbraw/zinc/19/45/00/300194500.db2.gz ACYOHNIBDSOHDB-BLLLJJGKSA-N 0 2 342.351 2.903 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436737222 300646101 /nfs/dbraw/zinc/64/61/01/300646101.db2.gz PRRNQHIIRJRYGI-ANRSDYALSA-N 0 2 332.287 2.692 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377102061 300646350 /nfs/dbraw/zinc/64/63/50/300646350.db2.gz WIXDBTWSVSPDPO-ANRSDYALSA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1cc(F)cc2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000436482750 301306246 /nfs/dbraw/zinc/30/62/46/301306246.db2.gz BACRPKLRCNPWCY-UHFFFAOYSA-N 0 2 330.315 2.946 20 5 EFBDLN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182165576 302523514 /nfs/dbraw/zinc/52/35/14/302523514.db2.gz IBMWPHFRQXLETL-CYBMUJFWSA-N 0 2 330.344 2.618 20 5 EFBDLN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1O ZINC000185769595 303885191 /nfs/dbraw/zinc/88/51/91/303885191.db2.gz IWYSZGJNWPSJJY-CYBMUJFWSA-N 0 2 332.287 2.693 20 5 EFBDLN Cc1ccccc1S(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000135528106 310656562 /nfs/dbraw/zinc/65/65/62/310656562.db2.gz UXCFUNKHFLHCNE-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN O=C(NCc1cc(-c2ccccc2)on1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171272551 310745521 /nfs/dbraw/zinc/74/55/21/310745521.db2.gz KETSWYRIVDBDDE-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000298808374 311025177 /nfs/dbraw/zinc/02/51/77/311025177.db2.gz QNUQUVPENSHEPH-UHFFFAOYSA-N 0 2 347.327 2.674 20 5 EFBDLN CC(C)[C@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCOCC2 ZINC000412762826 312009770 /nfs/dbraw/zinc/00/97/70/312009770.db2.gz WQRROUVFTKEEJJ-OAHLLOKOSA-N 0 2 334.372 2.578 20 5 EFBDLN COc1cccc2c1CC[C@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969926 312604234 /nfs/dbraw/zinc/60/42/34/312604234.db2.gz BIZFQSHAZIKHGR-CQSZACIVSA-N 0 2 328.324 2.726 20 5 EFBDLN COc1c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)oc2ccccc21 ZINC000436989168 312606682 /nfs/dbraw/zinc/60/66/82/312606682.db2.gz YUKRRKSWOXNFLG-UHFFFAOYSA-N 0 2 342.307 2.985 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc3c(cn2)CCC3)c1 ZINC000451052219 312806308 /nfs/dbraw/zinc/80/63/08/312806308.db2.gz WTEXZLMUZQOJNW-UHFFFAOYSA-N 0 2 347.396 2.896 20 5 EFBDLN CCC1(CC)[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1OC ZINC000488483919 313489455 /nfs/dbraw/zinc/48/94/55/313489455.db2.gz HXRVHFWHOCDSJE-CABCVRRESA-N 0 2 336.388 2.966 20 5 EFBDLN CC[C@](C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000548146708 318078611 /nfs/dbraw/zinc/07/86/11/318078611.db2.gz CHLWYUCKPFLTDX-JTQLQIEISA-N 0 2 344.286 2.743 20 5 EFBDLN O=C(Nc1ccc2oc(CO)cc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000552426083 318255998 /nfs/dbraw/zinc/25/59/98/318255998.db2.gz SNLMYQZJXMRJON-UHFFFAOYSA-N 0 2 328.280 2.791 20 5 EFBDLN CCN(CC)c1ccc(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC000563889821 318826271 /nfs/dbraw/zinc/82/62/71/318826271.db2.gz XCYXMXYZOHLTJB-UHFFFAOYSA-N 0 2 345.359 2.541 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(C(C)C)c2)c1 ZINC000572169567 319643834 /nfs/dbraw/zinc/64/38/34/319643834.db2.gz YSNMURTZUIPEEG-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000577011462 320069193 /nfs/dbraw/zinc/06/91/93/320069193.db2.gz ROLPBCIDYGEZRK-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)oc1C ZINC000182763894 323299866 /nfs/dbraw/zinc/29/98/66/323299866.db2.gz DOIDVSNVGKZAKV-UHFFFAOYSA-N 0 2 326.330 2.614 20 5 EFBDLN O=C([O-])[C@H](c1ccsc1)[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580098007 324098864 /nfs/dbraw/zinc/09/88/64/324098864.db2.gz UQZQAHOKINLVFL-AWEZNQCLSA-N 0 2 334.353 2.677 20 5 EFBDLN O=C([O-])[C@H](c1ccsc1)[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580098007 324098869 /nfs/dbraw/zinc/09/88/69/324098869.db2.gz UQZQAHOKINLVFL-AWEZNQCLSA-N 0 2 334.353 2.677 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000581071880 324299122 /nfs/dbraw/zinc/29/91/22/324299122.db2.gz QSKIKGPEMWWYSX-UHFFFAOYSA-N 0 2 339.373 2.817 20 5 EFBDLN C[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000581074360 324300194 /nfs/dbraw/zinc/30/01/94/324300194.db2.gz MOZPXSOYNHNMBV-XHDPSFHLSA-N 0 2 330.344 2.577 20 5 EFBDLN Cc1ccc(C2CCN(c3nc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000582966224 324709452 /nfs/dbraw/zinc/70/94/52/324709452.db2.gz HCZXOXYKZOIVBX-UHFFFAOYSA-N 0 2 342.355 2.775 20 5 EFBDLN CCc1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000095464234 463089542 /nfs/dbraw/zinc/08/95/42/463089542.db2.gz PLMHBSIMNIFGTB-UHFFFAOYSA-N 0 2 341.414 2.598 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)sc1C ZINC000079256592 463200256 /nfs/dbraw/zinc/20/02/56/463200256.db2.gz DYBGBZVGOBAHFZ-UHFFFAOYSA-N 0 2 331.350 2.608 20 5 EFBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000081731337 473246921 /nfs/dbraw/zinc/24/69/21/473246921.db2.gz WAYUKBUXGJSJND-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN C[C@@H](O)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184868061 473258439 /nfs/dbraw/zinc/25/84/39/473258439.db2.gz TWESWYRGOQXUDR-TZMCWYRMSA-N 0 2 344.367 2.585 20 5 EFBDLN C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184887317 473263352 /nfs/dbraw/zinc/26/33/52/473263352.db2.gz OPBZRTCGPLQCEK-SECBINFHSA-N 0 2 334.353 2.753 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccsc2)O1 ZINC000150868525 473370502 /nfs/dbraw/zinc/37/05/02/473370502.db2.gz WIHOTYRXFLBTMZ-BONVTDFDSA-N 0 2 348.380 2.964 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccsc2)O1 ZINC000150868502 473371160 /nfs/dbraw/zinc/37/11/60/473371160.db2.gz WIHOTYRXFLBTMZ-BMIGLBTASA-N 0 2 348.380 2.964 20 5 EFBDLN O=C(NCC1([C@H](O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000162851120 473390315 /nfs/dbraw/zinc/39/03/15/473390315.db2.gz RNZPMAVWLZSERH-MRXNPFEDSA-N 0 2 342.351 2.544 20 5 EFBDLN CCc1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000000560015 471371763 /nfs/dbraw/zinc/37/17/63/471371763.db2.gz FOCXZFWLZBWHQP-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN CC(C)(C)c1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000005284369 471497566 /nfs/dbraw/zinc/49/75/66/471497566.db2.gz MXTHKNOGLRSWGC-UHFFFAOYSA-N 0 2 342.402 2.545 20 5 EFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cccc(O)c1 ZINC000019999536 471985568 /nfs/dbraw/zinc/98/55/68/471985568.db2.gz UPXOIWYUEYOPJL-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000055555399 472203419 /nfs/dbraw/zinc/20/34/19/472203419.db2.gz YDXBIXRQWQVDJD-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000085235315 472233991 /nfs/dbraw/zinc/23/39/91/472233991.db2.gz UXEUEULENPGZCK-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C2CC2)no1 ZINC000069533422 472365986 /nfs/dbraw/zinc/36/59/86/472365986.db2.gz LZBSSYVPNFLIAQ-ZDUSSCGKSA-N 0 2 346.343 2.688 20 5 EFBDLN O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031235701 472369548 /nfs/dbraw/zinc/36/95/48/472369548.db2.gz QHCVGKWHTPWUFV-ZDUSSCGKSA-N 0 2 341.367 2.557 20 5 EFBDLN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116459747 472410482 /nfs/dbraw/zinc/41/04/82/472410482.db2.gz RSUURAOHATVPNA-SKDRFNHKSA-N 0 2 334.278 2.865 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 ZINC000032595398 472445326 /nfs/dbraw/zinc/44/53/26/472445326.db2.gz AMZJQVHZDGFTDN-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN C[C@H](NC(=O)CC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540933 472457801 /nfs/dbraw/zinc/45/78/01/472457801.db2.gz RKQCUUMMSPMABU-NSHDSACASA-N 0 2 349.387 2.714 20 5 EFBDLN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000128558168 472469452 /nfs/dbraw/zinc/46/94/52/472469452.db2.gz RQHROVJOWSURIY-UHFFFAOYSA-N 0 2 343.126 2.837 20 5 EFBDLN Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1[N+](=O)[O-] ZINC000057753749 472471664 /nfs/dbraw/zinc/47/16/64/472471664.db2.gz GEBQTGRPOCJKOM-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN Cc1cccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1[N+](=O)[O-] ZINC000058181058 472514720 /nfs/dbraw/zinc/51/47/20/472514720.db2.gz JBQFNEKFOXFNFK-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000070825551 472515657 /nfs/dbraw/zinc/51/56/57/472515657.db2.gz LESOFTCHAZHWTJ-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2[nH]1 ZINC000070889137 472521272 /nfs/dbraw/zinc/52/12/72/472521272.db2.gz RVHVLJOXUVSEPX-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c([N+](=O)[O-])c1 ZINC000131418824 472670133 /nfs/dbraw/zinc/67/01/33/472670133.db2.gz NQWIHBXLZKEDSM-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN CCN(CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1C ZINC000060691753 472674892 /nfs/dbraw/zinc/67/48/92/472674892.db2.gz PLCCIGJJWBHMKF-UHFFFAOYSA-N 0 2 343.383 2.865 20 5 EFBDLN COC(=O)N(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000063805935 472814718 /nfs/dbraw/zinc/81/47/18/472814718.db2.gz RIZQBYDQVONUNA-UHFFFAOYSA-N 0 2 345.311 2.755 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000121293523 472831120 /nfs/dbraw/zinc/83/11/20/472831120.db2.gz BCGWPWQSPVKPRU-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CC(C)n1cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000157555980 472833192 /nfs/dbraw/zinc/83/31/92/472833192.db2.gz BLJDCXLBFNUVFN-UHFFFAOYSA-N 0 2 344.780 2.826 20 5 EFBDLN O=C(Nc1nc(Cc2ccccc2)ns1)c1ccc([N+](=O)[O-])o1 ZINC000107199600 472932572 /nfs/dbraw/zinc/93/25/72/472932572.db2.gz GSXWZICBRREJSH-UHFFFAOYSA-N 0 2 330.325 2.882 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnc([C@@H]2CCCO2)s1 ZINC000092547530 472933301 /nfs/dbraw/zinc/93/33/01/472933301.db2.gz ADVSBQHLMKIXMT-NSHDSACASA-N 0 2 335.341 2.861 20 5 EFBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158538548 472945679 /nfs/dbraw/zinc/94/56/79/472945679.db2.gz OYRZEKNORVYITQ-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN O=C(NCCCOCCc1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080410012 473026000 /nfs/dbraw/zinc/02/60/00/473026000.db2.gz RHZZOMDSPLTGBH-UHFFFAOYSA-N 0 2 344.367 2.680 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)cc1[N+](=O)[O-] ZINC000122657484 473041695 /nfs/dbraw/zinc/04/16/95/473041695.db2.gz KBIOKKSIHKAREQ-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CN(C)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000109424038 473100259 /nfs/dbraw/zinc/10/02/59/473100259.db2.gz ZMDNEABCQSCZIG-UHFFFAOYSA-N 0 2 339.348 2.601 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cccc3[nH]cnc32)cc1[N+](=O)[O-] ZINC000075094415 473124148 /nfs/dbraw/zinc/12/41/48/473124148.db2.gz DQPCEOOQEBPNJR-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000052779201 473146405 /nfs/dbraw/zinc/14/64/05/473146405.db2.gz LLWLJHZXYYGKSP-UHFFFAOYSA-N 0 2 345.340 2.702 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000160633262 473153992 /nfs/dbraw/zinc/15/39/92/473153992.db2.gz BJCQKBQEWLBHQX-UHFFFAOYSA-N 0 2 334.332 2.668 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(F)ccc1C ZINC000093929320 473163290 /nfs/dbraw/zinc/16/32/90/473163290.db2.gz JOMCMVJIWSDFLC-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)s1 ZINC000093930838 473164455 /nfs/dbraw/zinc/16/44/55/473164455.db2.gz ANZUEVSAYVVIAU-UHFFFAOYSA-N 0 2 342.398 2.912 20 5 EFBDLN CNC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1Cl ZINC000185405773 473416852 /nfs/dbraw/zinc/41/68/52/473416852.db2.gz AJAORNUUGJUPJS-UHFFFAOYSA-N 0 2 349.730 2.566 20 5 EFBDLN COCc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000185613092 473468827 /nfs/dbraw/zinc/46/88/27/473468827.db2.gz NVHNUYLNLGAFBW-UHFFFAOYSA-N 0 2 334.303 2.516 20 5 EFBDLN COCCNc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000191290672 473523770 /nfs/dbraw/zinc/52/37/70/473523770.db2.gz UVKKGPOTUMGGSA-UHFFFAOYSA-N 0 2 331.328 2.611 20 5 EFBDLN O=C(NCc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1O ZINC000179408766 473685582 /nfs/dbraw/zinc/68/55/82/473685582.db2.gz WVJNHCPDUATHEN-UHFFFAOYSA-N 0 2 329.337 2.840 20 5 EFBDLN Cc1ccccc1CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000186623234 473704122 /nfs/dbraw/zinc/70/41/22/473704122.db2.gz PGCHXYKXBIXXBY-UHFFFAOYSA-N 0 2 346.368 2.721 20 5 EFBDLN C[C@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187356451 473861705 /nfs/dbraw/zinc/86/17/05/473861705.db2.gz HDMLIURWQYDKMC-NHYWBVRUSA-N 0 2 327.340 2.919 20 5 EFBDLN CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccnc1 ZINC000182087736 474097412 /nfs/dbraw/zinc/09/74/12/474097412.db2.gz ZEZQPMGVKSIHEA-OAHLLOKOSA-N 0 2 329.356 2.865 20 5 EFBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H](c2ccsc2)O1 ZINC000182107135 474100270 /nfs/dbraw/zinc/10/02/70/474100270.db2.gz ARNKDNOZAFPRCG-BONVTDFDSA-N 0 2 348.380 2.964 20 5 EFBDLN C[C@]1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCO1 ZINC000182107373 474101501 /nfs/dbraw/zinc/10/15/01/474101501.db2.gz NTHNNRDOISPNEX-GOSISDBHSA-N 0 2 342.351 2.688 20 5 EFBDLN CC(C)(C)OCc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000188574990 474131784 /nfs/dbraw/zinc/13/17/84/474131784.db2.gz ISBIHNITTREWQI-UHFFFAOYSA-N 0 2 349.343 2.534 20 5 EFBDLN C=CC(=O)Nc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000183068396 474319756 /nfs/dbraw/zinc/31/97/56/474319756.db2.gz JGKXWJBFSCAGNY-UHFFFAOYSA-N 0 2 345.286 2.816 20 5 EFBDLN O=C(CCc1nc2ccccc2[nH]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000175851119 474324580 /nfs/dbraw/zinc/32/45/80/474324580.db2.gz ONRIYYSMZDJCSV-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000183142778 474336730 /nfs/dbraw/zinc/33/67/30/474336730.db2.gz QAGPKCGARCZJAD-UHFFFAOYSA-N 0 2 340.357 2.752 20 5 EFBDLN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C ZINC000184665543 474578240 /nfs/dbraw/zinc/57/82/40/474578240.db2.gz MEIOKEJXFHYIIR-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN CNC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1Cl ZINC000184677160 474580674 /nfs/dbraw/zinc/58/06/74/474580674.db2.gz QYYVCOWPFHERTP-UHFFFAOYSA-N 0 2 349.730 2.566 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2ccccc2F)C1 ZINC000184743003 474599475 /nfs/dbraw/zinc/59/94/75/474599475.db2.gz PTWZINYTEGJNKC-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000184747059 474599779 /nfs/dbraw/zinc/59/97/79/474599779.db2.gz UNBALJGLSSQVCK-CYBMUJFWSA-N 0 2 327.340 2.627 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](Nc2ccccc2)C1 ZINC000184747077 474600018 /nfs/dbraw/zinc/60/00/18/474600018.db2.gz UNBALJGLSSQVCK-ZDUSSCGKSA-N 0 2 327.340 2.627 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000338876560 474694190 /nfs/dbraw/zinc/69/41/90/474694190.db2.gz WPILWNHOWZEPTD-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN O=C(/C=C\c1cnc2ccccc2n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000255143489 474812494 /nfs/dbraw/zinc/81/24/94/474812494.db2.gz JXPBBIRCTWABOW-YVMONPNESA-N 0 2 336.307 2.896 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cncc(F)c2)cc1C ZINC000337273560 474848104 /nfs/dbraw/zinc/84/81/04/474848104.db2.gz FCDHECNAWFGWIZ-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2cc(Cl)ccn2n1 ZINC000339352866 475155644 /nfs/dbraw/zinc/15/56/44/475155644.db2.gz QRYZISXMHCCCAU-UHFFFAOYSA-N 0 2 332.703 2.854 20 5 EFBDLN CC(C)CCc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000345678355 475359688 /nfs/dbraw/zinc/35/96/88/475359688.db2.gz SSSOXBDOPLPSDM-UHFFFAOYSA-N 0 2 338.389 2.707 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc3ncccc3c2)ccc1[N+](=O)[O-] ZINC000361606643 475593215 /nfs/dbraw/zinc/59/32/15/475593215.db2.gz KBMFUPBBGQJJFD-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000361607493 475593280 /nfs/dbraw/zinc/59/32/80/475593280.db2.gz OZTFEDYATLTVNG-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000358495606 475724210 /nfs/dbraw/zinc/72/42/10/475724210.db2.gz JRODDFWUSYLBKI-SNVBAGLBSA-N 0 2 336.373 2.699 20 5 EFBDLN O=C(N[C@H]1CCCc2c(O)cccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000355199797 475736940 /nfs/dbraw/zinc/73/69/40/475736940.db2.gz QHRGVNJFRNAOCU-AWEZNQCLSA-N 0 2 328.324 2.813 20 5 EFBDLN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000358796833 475946146 /nfs/dbraw/zinc/94/61/46/475946146.db2.gz GDRNCQNRTBKVJR-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(N[C@H]1COc2ccc(Cl)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000355871036 476067947 /nfs/dbraw/zinc/06/79/47/476067947.db2.gz SSCCJLKIWKDZIJ-NSHDSACASA-N 0 2 334.715 2.817 20 5 EFBDLN O=C(Nc1ccc(OC(F)F)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338763922 476168754 /nfs/dbraw/zinc/16/87/54/476168754.db2.gz VWSQRZIQLNXVRH-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccccc1 ZINC000359098052 476186332 /nfs/dbraw/zinc/18/63/32/476186332.db2.gz MUHVWWSUENRUPQ-UHFFFAOYSA-N 0 2 330.340 2.888 20 5 EFBDLN CCSc1nccnc1-c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000350574842 476251782 /nfs/dbraw/zinc/25/17/82/476251782.db2.gz DMLJAHJEGYXUKH-UHFFFAOYSA-N 0 2 345.340 2.919 20 5 EFBDLN CN(C)c1nc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc2o1 ZINC000353936155 476330199 /nfs/dbraw/zinc/33/01/99/476330199.db2.gz YQCQOXSDCOEXRC-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(c2ccccc2)CC(=O)C1 ZINC000362964565 476506491 /nfs/dbraw/zinc/50/64/91/476506491.db2.gz WAIUBHDAKICDEG-UHFFFAOYSA-N 0 2 326.308 2.540 20 5 EFBDLN O=C(NCC1(c2ccncc2)CCCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000354404862 476641231 /nfs/dbraw/zinc/64/12/31/476641231.db2.gz JQFMHUSWIYBTLO-UHFFFAOYSA-N 0 2 341.367 2.937 20 5 EFBDLN Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000370063046 476653716 /nfs/dbraw/zinc/65/37/16/476653716.db2.gz OEOINPQUVZCSMT-AWEZNQCLSA-N 0 2 330.388 2.587 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(=O)c1ccc(Cl)s1 ZINC000430285951 476802843 /nfs/dbraw/zinc/80/28/43/476802843.db2.gz VRVRKBNZEYVLTD-UHFFFAOYSA-N 0 2 326.717 2.837 20 5 EFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](Oc2ccccc2)C1 ZINC000413949587 476804356 /nfs/dbraw/zinc/80/43/56/476804356.db2.gz CYSSFYDDWBOEBZ-AWEZNQCLSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](Oc2ccccc2)C1 ZINC000375749300 476985555 /nfs/dbraw/zinc/98/55/55/476985555.db2.gz DDEQLBSCOXZCCQ-HNNXBMFYSA-N 0 2 342.351 2.984 20 5 EFBDLN CCn1nccc1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376139208 477192778 /nfs/dbraw/zinc/19/27/78/477192778.db2.gz AJRJKOKQCVNMHU-UHFFFAOYSA-N 0 2 344.371 2.537 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2c(s1)CCC2 ZINC000457917575 477256289 /nfs/dbraw/zinc/25/62/89/477256289.db2.gz KWMGFGASAYXVJG-MRVPVSSYSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000376580639 477414544 /nfs/dbraw/zinc/41/45/44/477414544.db2.gz LBQITQCLVHFTOQ-CHWSQXEVSA-N 0 2 334.372 2.579 20 5 EFBDLN CC(C)(C)c1ccncc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000412559011 477434056 /nfs/dbraw/zinc/43/40/56/477434056.db2.gz BJFQTHQLTDWMHW-UHFFFAOYSA-N 0 2 329.356 2.923 20 5 EFBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)ccc1F ZINC000436199349 477440821 /nfs/dbraw/zinc/44/08/21/477440821.db2.gz POZRBFJLJBZBTH-UHFFFAOYSA-N 0 2 346.361 2.913 20 5 EFBDLN COCCN(C[C@H]1CC=CCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436598804 477528714 /nfs/dbraw/zinc/52/87/14/477528714.db2.gz AWHNBENVGDOWCN-ZDUSSCGKSA-N 0 2 334.372 2.745 20 5 EFBDLN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436633406 477539299 /nfs/dbraw/zinc/53/92/99/477539299.db2.gz AVSLXKNXQWBEJS-AWEZNQCLSA-N 0 2 344.323 2.720 20 5 EFBDLN CCOc1ccc(OC)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436634886 477539374 /nfs/dbraw/zinc/53/93/74/477539374.db2.gz QVGSKGJKXXLOFP-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN COCCCOc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436640035 477540613 /nfs/dbraw/zinc/54/06/13/477540613.db2.gz SSPSVUPBYPFLRY-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN COC(=O)c1ccc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436640593 477540885 /nfs/dbraw/zinc/54/08/85/477540885.db2.gz YBGARTRGSNSTRR-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc([N+](=O)[O-])ccc1O ZINC000436665909 477552444 /nfs/dbraw/zinc/55/24/44/477552444.db2.gz QQQPNJFVJPDOCJ-UHFFFAOYSA-N 0 2 343.314 2.893 20 5 EFBDLN O=C(NCc1cccc(OC(F)F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436670688 477553998 /nfs/dbraw/zinc/55/39/98/477553998.db2.gz SALNYVOLYVJNFW-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1ccc(F)cc1 ZINC000436670353 477554214 /nfs/dbraw/zinc/55/42/14/477554214.db2.gz QFLICWCOGRPHTG-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN Cc1nc2sccn2c1CN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436671087 477554228 /nfs/dbraw/zinc/55/42/28/477554228.db2.gz UJMAFNBCOLBUSH-UHFFFAOYSA-N 0 2 346.368 2.590 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436737228 477575739 /nfs/dbraw/zinc/57/57/39/477575739.db2.gz PRRNQHIIRJRYGI-VXJOIVPMSA-N 0 2 332.287 2.692 20 5 EFBDLN COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436864530 477618912 /nfs/dbraw/zinc/61/89/12/477618912.db2.gz ZNEHXLYRAZMJGG-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1NC(C)=O ZINC000436870143 477619931 /nfs/dbraw/zinc/61/99/31/477619931.db2.gz PDOKYKSCLXFQGW-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN O=C(NCc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436868100 477620422 /nfs/dbraw/zinc/62/04/22/477620422.db2.gz FYLMKFVLRZOOAV-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)N(C)c1ccccc1 ZINC000436870135 477620447 /nfs/dbraw/zinc/62/04/47/477620447.db2.gz OZVLVIFYQDEQJH-LBPRGKRZSA-N 0 2 329.356 2.555 20 5 EFBDLN CN(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2o1 ZINC000436867386 477620568 /nfs/dbraw/zinc/62/05/68/477620568.db2.gz DFLITYHSAPCVPU-UHFFFAOYSA-N 0 2 342.311 2.760 20 5 EFBDLN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874324 477621833 /nfs/dbraw/zinc/62/18/33/477621833.db2.gz SUJBEVDWPSQBRQ-IAQYHMDHSA-N 0 2 336.388 2.872 20 5 EFBDLN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436886070 477625140 /nfs/dbraw/zinc/62/51/40/477625140.db2.gz JYOLOSKEHKXZLX-CXAGYDPISA-N 0 2 342.351 2.808 20 5 EFBDLN C[C@H](COc1cccc(F)c1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436887977 477626444 /nfs/dbraw/zinc/62/64/44/477626444.db2.gz YSHHUOABQYGSCU-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN CC[C@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccn1 ZINC000436896494 477628009 /nfs/dbraw/zinc/62/80/09/477628009.db2.gz ZBVGVIGGFKYDMW-NSHDSACASA-N 0 2 345.355 2.803 20 5 EFBDLN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)o1 ZINC000436890713 477628046 /nfs/dbraw/zinc/62/80/46/477628046.db2.gz CQAUBXOSTMWFAG-CYBMUJFWSA-N 0 2 334.328 2.709 20 5 EFBDLN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(-c2ccccc2)n1 ZINC000436894036 477628263 /nfs/dbraw/zinc/62/82/63/477628263.db2.gz RJVBVNFZMWIYII-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN O=c1cc(C=Cc2ccc(O)c([N+](=O)[O-])c2)nc(-c2ccncc2)[nH]1 ZINC000436936840 477641450 /nfs/dbraw/zinc/64/14/50/477641450.db2.gz ZRAPXAGXXXSAPU-IWQZZHSRSA-N 0 2 336.307 2.616 20 5 EFBDLN COCCOc1cc(C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436950570 477645969 /nfs/dbraw/zinc/64/59/69/477645969.db2.gz PDVZIOLWXVDIJG-UHFFFAOYSA-N 0 2 346.339 2.886 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C ZINC000436962429 477649290 /nfs/dbraw/zinc/64/92/90/477649290.db2.gz JJZHLNCMCCYFDQ-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN CC(C)(C)Oc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000436959760 477649585 /nfs/dbraw/zinc/64/95/85/477649585.db2.gz OJAPKPUUGQVFRD-UHFFFAOYSA-N 0 2 345.355 2.803 20 5 EFBDLN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436965323 477651115 /nfs/dbraw/zinc/65/11/15/477651115.db2.gz JBKXNECQZDTVDD-DYVFJYSZSA-N 0 2 342.351 2.808 20 5 EFBDLN COCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436973375 477655089 /nfs/dbraw/zinc/65/50/89/477655089.db2.gz SDSMIHWPHKGJRJ-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN COc1cccc2c1CCCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436993162 477659828 /nfs/dbraw/zinc/65/98/28/477659828.db2.gz YYHNIRLKQCMNFT-UHFFFAOYSA-N 0 2 328.324 2.902 20 5 EFBDLN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1ccccc1 ZINC000437006584 477662614 /nfs/dbraw/zinc/66/26/14/477662614.db2.gz YLOLYYUVOLOTOA-UHFFFAOYSA-N 0 2 330.340 2.888 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000372233426 477706458 /nfs/dbraw/zinc/70/64/58/477706458.db2.gz SJEUNCQNUHBWMH-STQMWFEESA-N 0 2 334.372 2.579 20 5 EFBDLN COC[C@@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437588785 477723378 /nfs/dbraw/zinc/72/33/78/477723378.db2.gz CEIAHHKVTQRMEJ-LLVKDONJSA-N 0 2 345.355 3.000 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC000451050050 477801598 /nfs/dbraw/zinc/80/15/98/477801598.db2.gz MDPXWCPAXHPBIR-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN Cc1oc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1C1CC1 ZINC000451054349 477804806 /nfs/dbraw/zinc/80/48/06/477804806.db2.gz KSNBWTMVIXMNBY-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN COC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000494160637 477936907 /nfs/dbraw/zinc/93/69/07/477936907.db2.gz VCRCVQPGFYOTPZ-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN O=C(Nc1ccc2oc(CO)cc2c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000516818552 477991952 /nfs/dbraw/zinc/99/19/52/477991952.db2.gz YWCOCRDNQUUMKN-UHFFFAOYSA-N 0 2 328.280 2.791 20 5 EFBDLN COc1cccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000440266297 478098722 /nfs/dbraw/zinc/09/87/22/478098722.db2.gz CALQFCGDBGSLNY-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000597605045 478428805 /nfs/dbraw/zinc/42/88/05/478428805.db2.gz TUNAHNQCQPJSTR-NUEKZKHPSA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000597605037 478429555 /nfs/dbraw/zinc/42/95/55/478429555.db2.gz TUNAHNQCQPJSTR-BMFZPTHFSA-N 0 2 348.399 2.846 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1C ZINC000600667823 478458876 /nfs/dbraw/zinc/45/88/76/478458876.db2.gz NHEBDMLJUCVWFR-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nccc(C3CC3)n2)c1C ZINC000600667752 478459947 /nfs/dbraw/zinc/45/99/47/478459947.db2.gz KRUIOQYVXGNDGH-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000563284203 478507272 /nfs/dbraw/zinc/50/72/72/478507272.db2.gz UCODHRWRQNZGGW-UHFFFAOYSA-N 0 2 334.328 2.835 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000563284203 478507280 /nfs/dbraw/zinc/50/72/80/478507280.db2.gz UCODHRWRQNZGGW-UHFFFAOYSA-N 0 2 334.328 2.835 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000594730801 478518951 /nfs/dbraw/zinc/51/89/51/478518951.db2.gz PJRXPRLCVQCKIX-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)cn1 ZINC000600809599 478529922 /nfs/dbraw/zinc/52/99/22/478529922.db2.gz ADHQSJLMJIRQJJ-INIZCTEOSA-N 0 2 343.339 2.585 20 5 EFBDLN COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)cn1 ZINC000600812739 478530746 /nfs/dbraw/zinc/53/07/46/478530746.db2.gz IODXSHFPOXFYRC-MRXNPFEDSA-N 0 2 343.339 2.585 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([C@@H]2CCCCO2)CC1 ZINC000598304502 478755526 /nfs/dbraw/zinc/75/55/26/478755526.db2.gz HYUBYFRUPCGXPE-INIZCTEOSA-N 0 2 334.372 2.722 20 5 EFBDLN CN(c1ccccc1)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598378470 478794704 /nfs/dbraw/zinc/79/47/04/478794704.db2.gz IURQYXSIGFGPPT-HNNXBMFYSA-N 0 2 341.367 2.651 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598712774 478986690 /nfs/dbraw/zinc/98/66/90/478986690.db2.gz JZYVBRQMMAZLSG-UHFFFAOYSA-N 0 2 339.373 2.871 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000598734040 478995458 /nfs/dbraw/zinc/99/54/58/478995458.db2.gz IYZNXYILBIOSPS-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)[nH]n2)c(C)c1[N+](=O)[O-] ZINC000598734040 478995465 /nfs/dbraw/zinc/99/54/65/478995465.db2.gz IYZNXYILBIOSPS-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)c(C)c1[N+](=O)[O-] ZINC000598735373 478997232 /nfs/dbraw/zinc/99/72/32/478997232.db2.gz OZDKRRNIGTUSHU-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN CC(C)Oc1[nH]c(=NCc2cn3ccsc3n2)ccc1[N+](=O)[O-] ZINC000584124169 479023485 /nfs/dbraw/zinc/02/34/85/479023485.db2.gz WCDLVTHRGQQNGV-UHFFFAOYSA-N 0 2 333.373 2.520 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2ccncc2)C1 ZINC000584360870 479110496 /nfs/dbraw/zinc/11/04/96/479110496.db2.gz UKKUZRYMPZEYQJ-CYBMUJFWSA-N 0 2 327.340 2.715 20 5 EFBDLN COc1ccc(COCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000611294741 479340589 /nfs/dbraw/zinc/34/05/89/479340589.db2.gz ZWFVTEJMAMBBIG-UHFFFAOYSA-N 0 2 346.339 2.854 20 5 EFBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1(C(F)F)CCCC1 ZINC000588906057 479454608 /nfs/dbraw/zinc/45/46/08/479454608.db2.gz GXTQIIZCYHCBHD-UHFFFAOYSA-N 0 2 338.307 2.590 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(F)cc1[N+](=O)[O-] ZINC000590597480 479665867 /nfs/dbraw/zinc/66/58/67/479665867.db2.gz FAHKAAWDTDLMJI-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN O=C(Nc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000612425640 479670194 /nfs/dbraw/zinc/67/01/94/479670194.db2.gz YPMNQXBCCNNVAH-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000612519003 479684865 /nfs/dbraw/zinc/68/48/65/479684865.db2.gz PDSPRRCHIITJBH-UHFFFAOYSA-N 0 2 330.296 2.714 20 5 EFBDLN CCc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cnn1CC(C)C ZINC000614007151 480164098 /nfs/dbraw/zinc/16/40/98/480164098.db2.gz FHEHMMPAIYBPFK-UHFFFAOYSA-N 0 2 332.360 2.968 20 5 EFBDLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000057497944 519713319 /nfs/dbraw/zinc/71/33/19/519713319.db2.gz QDTKKLGTPRCDHN-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F ZINC000119663836 522981699 /nfs/dbraw/zinc/98/16/99/522981699.db2.gz GJYHMAMJPKGUNB-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]1[C@H]1CCCCC1=O ZINC000187807867 534720145 /nfs/dbraw/zinc/72/01/45/534720145.db2.gz ZOGZUYGWRJAROF-TZMCWYRMSA-N 0 2 332.356 2.664 20 5 EFBDLN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158539384 534746334 /nfs/dbraw/zinc/74/63/34/534746334.db2.gz TWFGKGNYXMKOCH-RHSMWYFYSA-N 0 2 342.351 2.951 20 5 EFBDLN COc1ccc(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000089912346 524151280 /nfs/dbraw/zinc/15/12/80/524151280.db2.gz SFPVOGWNYPTMJC-LBPRGKRZSA-N 0 2 344.367 2.918 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1cccc(F)c1 ZINC000075158775 524720006 /nfs/dbraw/zinc/72/00/06/524720006.db2.gz MPNFMMFWRABPJR-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN Cn1nc(C2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184028922 534823626 /nfs/dbraw/zinc/82/36/26/534823626.db2.gz ALAGKOWWKKYKHQ-UHFFFAOYSA-N 0 2 330.344 2.944 20 5 EFBDLN Cc1c(NS(=O)(=O)c2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000119680297 525871785 /nfs/dbraw/zinc/87/17/85/525871785.db2.gz HMMWAKKGBACFHC-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN O=C(NCCc1c[nH]c2cc(F)ccc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065321575 526392496 /nfs/dbraw/zinc/39/24/96/526392496.db2.gz UXSHMANGFYJMBI-UHFFFAOYSA-N 0 2 343.314 2.893 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181914715 526630249 /nfs/dbraw/zinc/63/02/49/526630249.db2.gz WQKYAMDTUZRDNS-CQSZACIVSA-N 0 2 346.314 2.733 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000073068562 526713506 /nfs/dbraw/zinc/71/35/06/526713506.db2.gz SZCHBRUEAVFHPC-UHFFFAOYSA-N 0 2 340.335 2.936 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000181911824 526713875 /nfs/dbraw/zinc/71/38/75/526713875.db2.gz JHLSKNGVYTZVGZ-CQSZACIVSA-N 0 2 346.314 2.733 20 5 EFBDLN CC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000159242508 527069133 /nfs/dbraw/zinc/06/91/33/527069133.db2.gz PPHLKRYVIYGZSP-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncccc1Br ZINC000194946168 527131124 /nfs/dbraw/zinc/13/11/24/527131124.db2.gz VIJAKCZBLIVOCE-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3cccnc32)c1 ZINC000074826909 527394321 /nfs/dbraw/zinc/39/43/21/527394321.db2.gz HADDGTBFPORSBV-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000183385075 529017821 /nfs/dbraw/zinc/01/78/21/529017821.db2.gz XMPZXEPUXBOXPM-UHFFFAOYSA-N 0 2 338.389 2.602 20 5 EFBDLN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc(C2CC2)no1 ZINC000181971212 529107672 /nfs/dbraw/zinc/10/76/72/529107672.db2.gz UOXOYOGBSUWXRV-ZDUSSCGKSA-N 0 2 346.343 2.688 20 5 EFBDLN CC(C)(C)c1nc(=NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)s[nH]1 ZINC000411973470 535159351 /nfs/dbraw/zinc/15/93/51/535159351.db2.gz QZZFGFFVIIKIFR-NWDGAFQWSA-N 0 2 346.412 2.908 20 5 EFBDLN CCCc1c(Nc2ncc([N+](=O)[O-])cn2)cnn1-c1cc(C)ccn1 ZINC000363906590 535775097 /nfs/dbraw/zinc/77/50/97/535775097.db2.gz IECBWTREVAWBCT-UHFFFAOYSA-N 0 2 339.359 2.970 20 5 EFBDLN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170004976 564104630 /nfs/dbraw/zinc/10/46/30/564104630.db2.gz LCPCIFRFVQYIQT-RHSMWYFYSA-N 0 2 342.351 2.808 20 5 EFBDLN CCCn1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000758167882 575861599 /nfs/dbraw/zinc/86/15/99/575861599.db2.gz GODOROUMJFAVSM-UHFFFAOYSA-N 0 2 338.389 2.619 20 5 EFBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[nH]nc1C1CC1 ZINC000760318309 576004385 /nfs/dbraw/zinc/00/43/85/576004385.db2.gz BFMXDOVQZDJELB-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000766048888 577101690 /nfs/dbraw/zinc/10/16/90/577101690.db2.gz NLNDUXSFTUQLEV-UHFFFAOYSA-N 0 2 347.396 2.978 20 5 EFBDLN CC(C)Oc1ncccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768869580 577311833 /nfs/dbraw/zinc/31/18/33/577311833.db2.gz VUVDBJOVHQBCKF-UHFFFAOYSA-N 0 2 343.386 2.639 20 5 EFBDLN CC(C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000770505735 577422149 /nfs/dbraw/zinc/42/21/49/577422149.db2.gz MKUIERNHXXHZNN-UHFFFAOYSA-N 0 2 345.311 2.874 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3[N+](=O)[O-])no2)cc1O ZINC000770841471 581140680 /nfs/dbraw/zinc/14/06/80/581140680.db2.gz JDGIYYWSJDSBFJ-UHFFFAOYSA-N 0 2 342.267 2.849 20 5 EFBDLN Cc1noc(C(F)(F)F)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770855499 581142029 /nfs/dbraw/zinc/14/20/29/581142029.db2.gz DYWTYKGHSJMWSI-UHFFFAOYSA-N 0 2 331.206 2.868 20 5 EFBDLN O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000770856779 581142349 /nfs/dbraw/zinc/14/23/49/581142349.db2.gz MWWORMYVAZPWTO-CQSZACIVSA-N 0 2 328.280 2.541 20 5 EFBDLN CCCC(=CC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])cs1)CCC ZINC000771283562 581195933 /nfs/dbraw/zinc/19/59/33/581195933.db2.gz GDZJYGPRTPPGHZ-UHFFFAOYSA-N 0 2 346.430 2.988 20 5 EFBDLN O=C([O-])C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CCCCC1 ZINC000739520666 600460215 /nfs/dbraw/zinc/46/02/15/600460215.db2.gz XRRVFASQFNAMHE-UHFFFAOYSA-N 0 2 346.343 2.522 20 5 EFBDLN O=C([O-])c1cc([N+](=O)[O-])c(NCCNc2cccc[nH+]2)cc1Cl ZINC000740094360 600942568 /nfs/dbraw/zinc/94/25/68/600942568.db2.gz AXYZOWQDYHBTQF-UHFFFAOYSA-N 0 2 336.735 2.865 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(Cl)n1 ZINC000103201428 1272906454 /nfs/dbraw/zinc/90/64/54/1272906454.db2.gz QHPRBFNMJFFUJQ-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN COc1ccc(CSCC(=O)NOC/C=C/Cl)cc1[N+](=O)[O-] ZINC000794288079 1280111282 /nfs/dbraw/zinc/11/12/82/1280111282.db2.gz COXMPUHQLIFJIB-GORDUTHDSA-N 0 2 346.792 2.637 20 5 EFBDLN COc1ccc(CSCC(=O)NOC/C=C\Cl)cc1[N+](=O)[O-] ZINC000794288077 1280111300 /nfs/dbraw/zinc/11/13/00/1280111300.db2.gz COXMPUHQLIFJIB-DJWKRKHSSA-N 0 2 346.792 2.637 20 5 EFBDLN C[C@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000808251802 1281606630 /nfs/dbraw/zinc/60/66/30/1281606630.db2.gz FGONTRLFUWMTMO-VIFPVBQESA-N 0 2 335.747 2.972 20 5 EFBDLN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766157 1292264063 /nfs/dbraw/zinc/26/40/63/1292264063.db2.gz VUAIBFUCHNMOFK-HZMBPMFUSA-N 0 2 345.321 2.799 20 5 EFBDLN O=C1OC(c2ccc(F)cc2F)=N/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000129738839 1293248851 /nfs/dbraw/zinc/24/88/51/1293248851.db2.gz BRMRYZYPBBRONP-XGICHPGQSA-N 0 2 346.245 2.923 20 5 EFBDLN Cc1cc(=O)c2c(O[C@@H](C[N+](=O)[O-])c3cccnc3)cc(O)cc2o1 ZINC001234813219 1313193947 /nfs/dbraw/zinc/19/39/47/1313193947.db2.gz ICOLKXZIFKAGCN-INIZCTEOSA-N 0 2 342.307 2.599 20 5 EFBDLN O=C(OCC(F)F)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386128 1310058718 /nfs/dbraw/zinc/05/87/18/1310058718.db2.gz CMLWBLMGBZRXOP-UHFFFAOYSA-N 0 2 347.661 2.561 20 5 EFBDLN COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619773 1311554918 /nfs/dbraw/zinc/55/49/18/1311554918.db2.gz IMWKKADLQMPYDS-YNEHKIRRSA-N 0 2 343.376 2.524 20 5 EFBDLN CC(C)(C)OC(=O)N1CC=C[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620798 1311555073 /nfs/dbraw/zinc/55/50/73/1311555073.db2.gz VTWGWPANJGQMBU-LLVKDONJSA-N 0 2 336.344 2.855 20 5 EFBDLN O=[N+]([O-])C[C@@H](Oc1c(F)c(F)c(O)c(F)c1F)c1cccnc1 ZINC001225879908 1311585534 /nfs/dbraw/zinc/58/55/34/1311585534.db2.gz PJVYUOWARNFXIM-SSDOTTSWSA-N 0 2 332.209 2.740 20 5 EFBDLN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1c(F)c(F)c(O)c(F)c1F ZINC001225878435 1311585709 /nfs/dbraw/zinc/58/57/09/1311585709.db2.gz BYHUFPHPRNBIOI-RXMQYKEDSA-N 0 2 349.240 2.829 20 5 EFBDLN COc1cccc([C@H](C)Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC001227625478 1311832751 /nfs/dbraw/zinc/83/27/51/1311832751.db2.gz XXJFABRCYUEPKI-QMMMGPOBSA-N 0 2 337.357 2.961 20 5 EFBDLN CSc1nc(O[C@@H]2CCCc3cccnc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624884 1311832985 /nfs/dbraw/zinc/83/29/85/1311832985.db2.gz ICKPVVYNPQMWPJ-SECBINFHSA-N 0 2 334.357 2.664 20 5 EFBDLN CSc1nc(O[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227625500 1311833086 /nfs/dbraw/zinc/83/30/86/1311833086.db2.gz YKJHAUOIJXMFTC-SNVBAGLBSA-N 0 2 335.341 2.715 20 5 EFBDLN CCOC[C@H](C)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685763 1311981779 /nfs/dbraw/zinc/98/17/79/1311981779.db2.gz IOHMFQULDYFTLY-NSHDSACASA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCn5ccnc54)c3nc2cc1C ZINC001228685871 1311981820 /nfs/dbraw/zinc/98/18/20/1311981820.db2.gz JHSGANWRKORGDE-ZDUSSCGKSA-N 0 2 348.366 2.616 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCOC[C@H]4C)c3nc2cc1C ZINC001228685449 1311981861 /nfs/dbraw/zinc/98/18/61/1311981861.db2.gz HHEKAULFKGVDPW-BXUZGUMPSA-N 0 2 340.383 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC[C@@H]4CCC=CO4)c3nc2cc1C ZINC001228686287 1311981907 /nfs/dbraw/zinc/98/19/07/1311981907.db2.gz MXCDUCIDEWCOPY-LBPRGKRZSA-N 0 2 338.367 2.967 20 5 EFBDLN COc1ccc(OC[C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])cc1 ZINC001228975021 1312030071 /nfs/dbraw/zinc/03/00/71/1312030071.db2.gz XGIKZOPHMKAASO-SNVBAGLBSA-N 0 2 335.312 2.861 20 5 EFBDLN CCOC(=O)[C@@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975294 1312030182 /nfs/dbraw/zinc/03/01/82/1312030182.db2.gz ZDWHZYSETRJNFD-MWLCHTKSSA-N 0 2 325.317 2.507 20 5 EFBDLN Cc1cc[nH+]c(N2CCC(Oc3cc(O)cc([O-])c3[N+](=O)[O-])CC2)c1 ZINC001228974095 1312030269 /nfs/dbraw/zinc/03/02/69/1312030269.db2.gz PJFHFNIGVNIFFW-UHFFFAOYSA-N 0 2 345.355 2.757 20 5 EFBDLN CCCSc1nc(OC[C@H]2CCCCO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793356 1312140420 /nfs/dbraw/zinc/14/04/20/1312140420.db2.gz ZGUKEGRISSFUFE-SECBINFHSA-N 0 2 329.378 2.540 20 5 EFBDLN CCCSc1nc(O[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790951 1312140653 /nfs/dbraw/zinc/14/06/53/1312140653.db2.gz DLIPJUOZABMYGW-SECBINFHSA-N 0 2 343.405 2.929 20 5 EFBDLN CCCSc1nc(O[C@H](C)C2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229796389 1312141576 /nfs/dbraw/zinc/14/15/76/1312141576.db2.gz KNLMFBNFUYKCLZ-SECBINFHSA-N 0 2 343.405 2.786 20 5 EFBDLN CCOC(=O)c1cnoc1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211292760 1314470289 /nfs/dbraw/zinc/47/02/89/1314470289.db2.gz SUKNEEACVQUPHQ-UHFFFAOYSA-N 0 2 336.260 2.720 20 5 EFBDLN COc1nccc(C)c1-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216682514 1314992443 /nfs/dbraw/zinc/99/24/43/1314992443.db2.gz VCJATIFHTRDPOY-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1ccncc1-c1noc(-c2ccc(C)c(O)c2[N+](=O)[O-])n1 ZINC001216859444 1315016673 /nfs/dbraw/zinc/01/66/73/1315016673.db2.gz WHLLBOQAJDVDEW-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1cc(-c2nnc(Cc3ccccc3)o2)cc([N+](=O)[O-])c1O ZINC001253588277 1315616820 /nfs/dbraw/zinc/61/68/20/1315616820.db2.gz FXQYWQOJEGYNEW-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN COc1ccc(Cc2nnc(Cc3ccc(O)c([N+](=O)[O-])c3)o2)cc1 ZINC001254747685 1315743260 /nfs/dbraw/zinc/74/32/60/1315743260.db2.gz HRQXKBZEPBWVQS-UHFFFAOYSA-N 0 2 341.323 2.874 20 5 EFBDLN COc1ccc(Cc2nnc(-c3c(O)cccc3[N+](=O)[O-])o2)cc1 ZINC001254807550 1315745617 /nfs/dbraw/zinc/74/56/17/1315745617.db2.gz MELOCPZTNULEAD-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN C[C@@H]1[C@H](C)CN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)[C@H]1C ZINC001262902764 1316501435 /nfs/dbraw/zinc/50/14/35/1316501435.db2.gz OZJDDEOZYAMGOE-MXWKQRLJSA-N 0 2 331.376 2.577 20 5 EFBDLN C[C@H]1[C@@H](C)N(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC001262902763 1316501499 /nfs/dbraw/zinc/50/14/99/1316501499.db2.gz OZJDDEOZYAMGOE-GMTAPVOTSA-N 0 2 331.376 2.577 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC(C)(F)CC1 ZINC001340414873 1332190956 /nfs/dbraw/zinc/19/09/56/1332190956.db2.gz GXXYIHOJLUFMLG-UHFFFAOYSA-N 0 2 349.366 2.907 20 5 EFBDLN C[C@@H]1CCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC001351095050 1333179148 /nfs/dbraw/zinc/17/91/48/1333179148.db2.gz MIUPHPYFFSZHNH-GHMZBOCLSA-N 0 2 331.376 2.578 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1C ZINC000120297187 713054608 /nfs/dbraw/zinc/05/46/08/713054608.db2.gz ADXQPJTYKNCLRK-UHFFFAOYSA-N 0 2 340.382 2.968 20 5 EFBDLN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000255575091 716243235 /nfs/dbraw/zinc/24/32/35/716243235.db2.gz FNBFRSFKDJNELT-GHXNOFRVSA-N 0 2 328.255 2.784 20 5 EFBDLN Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000036904765 795283629 /nfs/dbraw/zinc/28/36/29/795283629.db2.gz NDJNERGFYCRMBK-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001588657150 960417354 /nfs/dbraw/zinc/41/73/54/960417354.db2.gz RMQUOQZSZAEXFG-UHFFFAOYSA-N 0 2 348.359 2.578 20 5 EFBDLN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001588657150 960417360 /nfs/dbraw/zinc/41/73/60/960417360.db2.gz RMQUOQZSZAEXFG-UHFFFAOYSA-N 0 2 348.359 2.578 20 5 EFBDLN C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C(=O)[O-] ZINC001573727525 960420854 /nfs/dbraw/zinc/42/08/54/960420854.db2.gz VGFJXUVSNSHNFK-NHYWBVRUSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C(=O)[O-] ZINC001573727525 960420859 /nfs/dbraw/zinc/42/08/59/960420859.db2.gz VGFJXUVSNSHNFK-NHYWBVRUSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@H]1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000844214366 979373868 /nfs/dbraw/zinc/37/38/68/979373868.db2.gz GATHYGZGXNGBIG-LRDDRELGSA-N 0 2 344.371 2.506 20 5 EFBDLN C[C@](Cc1ccc(F)cc1)([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001592854918 979658524 /nfs/dbraw/zinc/65/85/24/979658524.db2.gz XVGUWECDQLXHIH-QGZVFWFLSA-N 0 2 348.330 2.615 20 5 EFBDLN CCCC[C@H](OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1)C(=O)[O-] ZINC001595645902 981993995 /nfs/dbraw/zinc/99/39/95/981993995.db2.gz WINMQIWSHXZQPH-AWEZNQCLSA-N 0 2 347.327 2.581 20 5 EFBDLN CN(Cc1ccc(N)[nH+]c1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001598519500 992662165 /nfs/dbraw/zinc/66/21/65/992662165.db2.gz UIOXJNAFBDZBDW-UHFFFAOYSA-N 0 2 336.735 2.560 20 5 EFBDLN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166687 998634744 /nfs/dbraw/zinc/63/47/44/998634744.db2.gz AFOSMMYFGJAANN-POYBYMJQSA-N 0 2 349.206 2.714 20 5 EFBDLN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166687 998634747 /nfs/dbraw/zinc/63/47/47/998634747.db2.gz AFOSMMYFGJAANN-POYBYMJQSA-N 0 2 349.206 2.714 20 5 EFBDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1ccc([N+](=O)[O-])cc1Br ZINC001600686042 1095259038 /nfs/dbraw/zinc/25/90/38/1095259038.db2.gz OFYOSVSVLYHWBX-UHFFFAOYSA-N 0 2 340.133 2.609 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001601872636 1095946125 /nfs/dbraw/zinc/94/61/25/1095946125.db2.gz HVGLNLZRCZJECM-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001601872636 1095946135 /nfs/dbraw/zinc/94/61/35/1095946135.db2.gz HVGLNLZRCZJECM-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001601875413 1095949290 /nfs/dbraw/zinc/94/92/90/1095949290.db2.gz SCJZQHDVSQBMRK-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001601875413 1095949295 /nfs/dbraw/zinc/94/92/95/1095949295.db2.gz SCJZQHDVSQBMRK-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1nocc1C(=O)[O-] ZINC001603681565 1096588033 /nfs/dbraw/zinc/58/80/33/1096588033.db2.gz HGIUURIXCFBZIV-UHFFFAOYSA-N 0 2 339.735 2.959 20 5 EFBDLN CCc1ncc(C[NH2+][C@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC001605860933 1097256873 /nfs/dbraw/zinc/25/68/73/1097256873.db2.gz DPPNMCSERKPIPG-HNNXBMFYSA-N 0 2 335.385 2.703 20 5 EFBDLN CN(C)c1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC001606058830 1097309233 /nfs/dbraw/zinc/30/92/33/1097309233.db2.gz PVKJPDVINQBWJL-XBXARRHUSA-N 0 2 328.328 2.897 20 5 EFBDLN Cc1cc([C@@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001607613444 1097676723 /nfs/dbraw/zinc/67/67/23/1097676723.db2.gz XWZUHSWSFRQHBW-OAHLLOKOSA-N 0 2 334.303 2.663 20 5 EFBDLN Cc1c[nH+]c2cc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccn12 ZINC001607908536 1097774752 /nfs/dbraw/zinc/77/47/52/1097774752.db2.gz BBJPHMZGYDUUBZ-UHFFFAOYSA-N 0 2 340.295 2.501 20 5 EFBDLN O=C([O-])c1cc(F)ccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608850642 1098044913 /nfs/dbraw/zinc/04/49/13/1098044913.db2.gz AYWSSBQJEFTSPY-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cc(F)ccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001608850642 1098044920 /nfs/dbraw/zinc/04/49/20/1098044920.db2.gz AYWSSBQJEFTSPY-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN C[C@]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001609782166 1098457251 /nfs/dbraw/zinc/45/72/51/1098457251.db2.gz WWUBDWCYWFYGOI-MRXNPFEDSA-N 0 2 334.303 2.529 20 5 EFBDLN CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC001610061158 1098534777 /nfs/dbraw/zinc/53/47/77/1098534777.db2.gz HULWCPFBMGPWMP-CQSZACIVSA-N 0 2 348.355 2.926 20 5 EFBDLN COc1cccc(C2=N/C(=C\c3ccc([N+](=O)[O-])c(O)c3)C(=O)O2)c1 ZINC000748159488 1101311950 /nfs/dbraw/zinc/31/19/50/1101311950.db2.gz YCOKPHGGVAIXPJ-QPEQYQDCSA-N 0 2 340.291 2.654 20 5 EFBDLN COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])c(O)c2)C(=O)O1 ZINC000748157481 1102905231 /nfs/dbraw/zinc/90/52/31/1102905231.db2.gz NXYNTCTXVLUILU-XYOKQWHBSA-N 0 2 340.291 2.654 20 5 EFBDLN C[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1cc(Br)no1 ZINC001228973765 1104248545 /nfs/dbraw/zinc/24/85/45/1104248545.db2.gz LYNNWINRHPHIIS-YFKPBYRVSA-N 0 2 345.105 2.897 20 5 EFBDLN Cc1cccc(CONC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000898930855 1109141187 /nfs/dbraw/zinc/14/11/87/1109141187.db2.gz OFTQSJUCKKNOAV-UHFFFAOYSA-N 0 2 329.356 2.824 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000174021131 529664055 /nfs/dbraw/zinc/66/40/55/529664055.db2.gz LEEOBQJYSHBSJG-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CCc1cnc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000183382982 529664248 /nfs/dbraw/zinc/66/42/48/529664248.db2.gz BSMLGEXTHGUPDP-UHFFFAOYSA-N 0 2 327.387 2.556 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000174020382 529664253 /nfs/dbraw/zinc/66/42/53/529664253.db2.gz VUNKIIUYOADIOU-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171828019 303980147 /nfs/dbraw/zinc/98/01/47/303980147.db2.gz SITOTMKOWDKARN-LBPRGKRZSA-N 0 2 332.287 2.693 20 5 EFBDLN O=C(Nc1cccc2c1OCCC2=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000357122069 304007398 /nfs/dbraw/zinc/00/73/98/304007398.db2.gz ZAWVFVOKLIVFIR-UHFFFAOYSA-N 0 2 328.280 2.518 20 5 EFBDLN Cc1noc(C)c1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000191567276 239188895 /nfs/dbraw/zinc/18/88/95/239188895.db2.gz YKSCIZRJQVVDQV-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000193665596 240256360 /nfs/dbraw/zinc/25/63/60/240256360.db2.gz DDWCVAATNCCKFB-NSHDSACASA-N 0 2 347.293 2.545 20 5 EFBDLN C[C@@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000448145627 296074330 /nfs/dbraw/zinc/07/43/30/296074330.db2.gz DEKZJUJYXAVVGL-SNVBAGLBSA-N 0 2 327.344 2.567 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnoc2C2CC2)c1 ZINC000414383608 244124870 /nfs/dbraw/zinc/12/48/70/244124870.db2.gz AMJRAXNAYLSOGX-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000414471430 244186144 /nfs/dbraw/zinc/18/61/44/244186144.db2.gz PCIGDKMUFQXJQB-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000428668853 247520007 /nfs/dbraw/zinc/52/00/07/247520007.db2.gz UEBLLYUAWCQUIM-RISCZKNCSA-N 0 2 338.429 2.940 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000266644000 248395174 /nfs/dbraw/zinc/39/51/74/248395174.db2.gz XHAIWRAEAWPNKM-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN CCCCn1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000442215869 250073239 /nfs/dbraw/zinc/07/32/39/250073239.db2.gz QQBAOADZHHOENB-UHFFFAOYSA-N 0 2 338.389 2.701 20 5 EFBDLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445147255 250389772 /nfs/dbraw/zinc/38/97/72/250389772.db2.gz SJBOZUDHWXITRY-UHFFFAOYSA-N 0 2 344.110 2.960 20 5 EFBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(Cl)cc1 ZINC000095364871 218297979 /nfs/dbraw/zinc/29/79/79/218297979.db2.gz OGBWDCRMZGNJNA-HUUCEWRRSA-N 0 2 331.759 2.933 20 5 EFBDLN Cc1cc(Cl)c([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(F)c1 ZINC000095455472 218398333 /nfs/dbraw/zinc/39/83/33/218398333.db2.gz WZXUMRWYYUNJQN-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN C[C@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000454982482 255592815 /nfs/dbraw/zinc/59/28/15/255592815.db2.gz UWVOFSKZCJNQNR-JTQLQIEISA-N 0 2 327.344 2.567 20 5 EFBDLN C[C@H](CCCc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000457906703 255721544 /nfs/dbraw/zinc/72/15/44/255721544.db2.gz JGHXIPZVJVKEJN-GFCCVEGCSA-N 0 2 329.356 2.837 20 5 EFBDLN CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc21 ZINC000185905210 285310470 /nfs/dbraw/zinc/31/04/70/285310470.db2.gz HWGLLLVHLDRZPR-UHFFFAOYSA-N 0 2 327.340 2.787 20 5 EFBDLN CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000345006959 142111113 /nfs/dbraw/zinc/11/11/13/142111113.db2.gz CZZDFBAPGNXKMC-GJZGRUSLSA-N 0 2 342.351 2.985 20 5 EFBDLN C[C@H](C(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000347847643 142281326 /nfs/dbraw/zinc/28/13/26/142281326.db2.gz OXEXNSWKUIRAKF-VIFPVBQESA-N 0 2 330.319 2.565 20 5 EFBDLN O=C(N=c1ccc(C2CC2)n[nH]1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000341191110 145009049 /nfs/dbraw/zinc/00/90/49/145009049.db2.gz KMEOCDZALJNAEL-UHFFFAOYSA-N 0 2 339.355 2.511 20 5 EFBDLN CSc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000342635266 145163152 /nfs/dbraw/zinc/16/31/52/145163152.db2.gz JBGXEQWJSUACIT-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2 ZINC000343873183 145313896 /nfs/dbraw/zinc/31/38/96/145313896.db2.gz HIUKKJUJPOHKGM-UHFFFAOYSA-N 0 2 344.323 2.945 20 5 EFBDLN CC(C)(C)Oc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000351080279 146109606 /nfs/dbraw/zinc/10/96/06/146109606.db2.gz VRSCOQRWCXOUGW-UHFFFAOYSA-N 0 2 345.355 2.803 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)s1 ZINC000351620712 146161279 /nfs/dbraw/zinc/16/12/79/146161279.db2.gz OPICUOPNIDSPKM-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1 ZINC000351634889 146164741 /nfs/dbraw/zinc/16/47/41/146164741.db2.gz OHIBQOPAZJIIKU-UHFFFAOYSA-N 0 2 338.389 2.859 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000355846786 147080900 /nfs/dbraw/zinc/08/09/00/147080900.db2.gz USZMJDGGWSTGLU-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000355880602 147090713 /nfs/dbraw/zinc/09/07/13/147090713.db2.gz LZZNZRYXRUCDHU-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN Cc1nc(C)c(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)s1 ZINC000355886169 147091287 /nfs/dbraw/zinc/09/12/87/147091287.db2.gz XMXBMWWQZXHEGJ-UHFFFAOYSA-N 0 2 331.350 2.608 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ncccc1OCC(F)F ZINC000356317319 147210472 /nfs/dbraw/zinc/21/04/72/147210472.db2.gz DMALKOOIHICFSQ-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000356320535 147211288 /nfs/dbraw/zinc/21/12/88/147211288.db2.gz KUQUZGBVIRBOQD-UHFFFAOYSA-N 0 2 343.270 2.946 20 5 EFBDLN Cc1ccc2c(c1)CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)O2 ZINC000356576053 147281300 /nfs/dbraw/zinc/28/13/00/147281300.db2.gz FBQMFPHIJGJPRM-MRXNPFEDSA-N 0 2 328.324 2.941 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000359856157 148208139 /nfs/dbraw/zinc/20/81/39/148208139.db2.gz LSMNRAIGZQPELI-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1[N+](=O)[O-] ZINC000359859094 148209227 /nfs/dbraw/zinc/20/92/27/148209227.db2.gz RKVKGUZNKNGZJZ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(NC1CCN(c2cccs2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376073953 151651291 /nfs/dbraw/zinc/65/12/91/151651291.db2.gz JHRVQWQGNFFJLW-UHFFFAOYSA-N 0 2 347.396 2.761 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000378554586 152114448 /nfs/dbraw/zinc/11/44/48/152114448.db2.gz RSFSSPKTYVHRLM-OAHLLOKOSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158539526 225038985 /nfs/dbraw/zinc/03/89/85/225038985.db2.gz TWFGKGNYXMKOCH-YOEHRIQHSA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000158548867 225040227 /nfs/dbraw/zinc/04/02/27/225040227.db2.gz HEPDLLOWZZKDAW-SUMWQHHRSA-N 0 2 342.351 2.951 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](c2ccccc2)CO1 ZINC000187497396 296921557 /nfs/dbraw/zinc/92/15/57/296921557.db2.gz ACYOHNIBDSOHDB-WBMJQRKESA-N 0 2 342.351 2.903 20 5 EFBDLN COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000188574023 265141438 /nfs/dbraw/zinc/14/14/38/265141438.db2.gz MYFRQMSWDZAJCZ-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN CC(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000193887124 265351927 /nfs/dbraw/zinc/35/19/27/265351927.db2.gz KZHJPXNHYALBOR-UHFFFAOYSA-N 0 2 336.388 2.968 20 5 EFBDLN O=C(CSC[C@@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000271582611 266012660 /nfs/dbraw/zinc/01/26/60/266012660.db2.gz SDEMKFMFMAIYKF-NSHDSACASA-N 0 2 326.374 2.541 20 5 EFBDLN Cc1nnc(-c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2)o1 ZINC000089531185 272996272 /nfs/dbraw/zinc/99/62/72/272996272.db2.gz ZEJOKPWOEJPKGL-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN COCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)o1 ZINC000272219711 266194334 /nfs/dbraw/zinc/19/43/34/266194334.db2.gz POUJENDEPBHNIV-LBPRGKRZSA-N 0 2 334.328 2.709 20 5 EFBDLN COCCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272394038 266251904 /nfs/dbraw/zinc/25/19/04/266251904.db2.gz VKISKEANZXCFNR-UHFFFAOYSA-N 0 2 344.367 2.632 20 5 EFBDLN O=C(C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000272412597 266257945 /nfs/dbraw/zinc/25/79/45/266257945.db2.gz OVOAXYYYFQYAAL-NSHDSACASA-N 0 2 344.323 2.771 20 5 EFBDLN CC(C)(NC(=O)C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000277775635 267259499 /nfs/dbraw/zinc/25/94/99/267259499.db2.gz ZYDDRRGWOXAZJS-UHFFFAOYSA-N 0 2 344.249 2.558 20 5 EFBDLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000187747904 273052469 /nfs/dbraw/zinc/05/24/69/273052469.db2.gz WXQZLKYLDAAGIX-JTQLQIEISA-N 0 2 336.373 2.563 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@H](COc2ccccc2)C1 ZINC000274959253 273135537 /nfs/dbraw/zinc/13/55/37/273135537.db2.gz TYRKRVXZRGPXDG-ZDUSSCGKSA-N 0 2 342.351 2.842 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000279959861 273274631 /nfs/dbraw/zinc/27/46/31/273274631.db2.gz NVDBKJFPWVAOMX-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000280773855 273365350 /nfs/dbraw/zinc/36/53/50/273365350.db2.gz GIOWPXIEQURXMA-QMMMGPOBSA-N 0 2 335.316 2.796 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000281189542 273409499 /nfs/dbraw/zinc/40/94/99/273409499.db2.gz AJBWNTVVNXGFCT-UYHMYPTGSA-N 0 2 348.399 2.702 20 5 EFBDLN O=C(Nc1nc(C2CCOCC2)cs1)c1ccc([N+](=O)[O-])cc1O ZINC000286358880 274185109 /nfs/dbraw/zinc/18/51/09/274185109.db2.gz LYJQAEOZBHBJSD-UHFFFAOYSA-N 0 2 349.368 2.903 20 5 EFBDLN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000338350174 275001789 /nfs/dbraw/zinc/00/17/89/275001789.db2.gz RWOPCBVIKPXMAJ-UHFFFAOYSA-N 0 2 339.267 2.971 20 5 EFBDLN CCC(=O)c1ccc(O)c(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000436651566 281973823 /nfs/dbraw/zinc/97/38/23/281973823.db2.gz GOLBJWJORZBJBG-UHFFFAOYSA-N 0 2 346.343 2.992 20 5 EFBDLN Cn1ccc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000078001552 292771222 /nfs/dbraw/zinc/77/12/22/292771222.db2.gz YPQITUDGTNDJOS-UHFFFAOYSA-N 0 2 331.353 2.887 20 5 EFBDLN COCc1nc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2o1 ZINC000119149333 292901682 /nfs/dbraw/zinc/90/16/82/292901682.db2.gz YTHYOEXNDQEINA-UHFFFAOYSA-N 0 2 343.295 2.840 20 5 EFBDLN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000125454579 293010908 /nfs/dbraw/zinc/01/09/08/293010908.db2.gz OPZCAPAXUXHYDE-DYVFJYSZSA-N 0 2 342.351 2.951 20 5 EFBDLN CCCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000127318633 293065626 /nfs/dbraw/zinc/06/56/26/293065626.db2.gz AVBMGYLPKYXELW-UHFFFAOYSA-N 0 2 345.377 2.944 20 5 EFBDLN COCc1ccccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000055595192 293317706 /nfs/dbraw/zinc/31/77/06/293317706.db2.gz YFWNWYSHUAKWPF-UHFFFAOYSA-N 0 2 336.369 2.850 20 5 EFBDLN CO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000182068150 293542545 /nfs/dbraw/zinc/54/25/45/293542545.db2.gz OIXQLZDWFROBGE-HNNXBMFYSA-N 0 2 334.303 2.557 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1OCCc2sccc21 ZINC000294686222 295207846 /nfs/dbraw/zinc/20/78/46/295207846.db2.gz PWVRMXRQKDERAR-PSLIRLAXSA-N 0 2 348.380 2.794 20 5 EFBDLN C[C@@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000375813011 297168151 /nfs/dbraw/zinc/16/81/51/297168151.db2.gz JZDKPZMONICNRZ-LLVKDONJSA-N 0 2 328.324 2.724 20 5 EFBDLN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000184779278 297296972 /nfs/dbraw/zinc/29/69/72/297296972.db2.gz VSBLBFUZLDQQMS-ABAIWWIYSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)OCCc2sccc21 ZINC000436593501 297898684 /nfs/dbraw/zinc/89/86/84/297898684.db2.gz BGLHBUFXQMCYJL-INIZCTEOSA-N 0 2 348.380 2.580 20 5 EFBDLN C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179540386 300226551 /nfs/dbraw/zinc/22/65/51/300226551.db2.gz WHIQORAFTDHRJM-LBPRGKRZSA-N 0 2 341.367 2.781 20 5 EFBDLN C[C@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000373484643 300370120 /nfs/dbraw/zinc/37/01/20/300370120.db2.gz YHBPVBNCJZXECW-NSHDSACASA-N 0 2 328.324 2.724 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000366223921 300646910 /nfs/dbraw/zinc/64/69/10/300646910.db2.gz YTKSLUAZQQGTGF-CLAHSXSESA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cncc(F)c2)c1C ZINC000337305209 301861488 /nfs/dbraw/zinc/86/14/88/301861488.db2.gz SQZSGAGHUDWJGG-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN Cc1nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2n1C ZINC000356562399 302663130 /nfs/dbraw/zinc/66/31/30/302663130.db2.gz DHISCXAKWMGCMM-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc2c1cccc2F ZINC000436891691 302896885 /nfs/dbraw/zinc/89/68/85/302896885.db2.gz YIAFGTQSPYBWKH-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000327917818 311245324 /nfs/dbraw/zinc/24/53/24/311245324.db2.gz CKYCKZNWQBWPRI-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000327917818 311245326 /nfs/dbraw/zinc/24/53/26/311245326.db2.gz CKYCKZNWQBWPRI-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1cccc2c1CC[C@@H]2NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969925 312604486 /nfs/dbraw/zinc/60/44/86/312604486.db2.gz BIZFQSHAZIKHGR-AWEZNQCLSA-N 0 2 328.324 2.726 20 5 EFBDLN COc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436971744 312604636 /nfs/dbraw/zinc/60/46/36/312604636.db2.gz KTNKOZJULYKCPQ-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000436974516 312605229 /nfs/dbraw/zinc/60/52/29/312605229.db2.gz ZJLLSEJPHACXOX-RNCFNFMXSA-N 0 2 334.278 2.865 20 5 EFBDLN COc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436991121 312607497 /nfs/dbraw/zinc/60/74/97/312607497.db2.gz QJHWVIXEDNPTFC-UHFFFAOYSA-N 0 2 328.324 2.902 20 5 EFBDLN CCOCc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000453020750 312847508 /nfs/dbraw/zinc/84/75/08/312847508.db2.gz FFTVVJZIPPBDQM-XQRVVYSFSA-N 0 2 347.327 2.512 20 5 EFBDLN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000488483920 313489426 /nfs/dbraw/zinc/48/94/26/313489426.db2.gz HXRVHFWHOCDSJE-GJZGRUSLSA-N 0 2 336.388 2.966 20 5 EFBDLN CC(C)n1ncc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cnc21 ZINC000542568169 317817461 /nfs/dbraw/zinc/81/74/61/317817461.db2.gz DRORAHXLNFJZQC-UHFFFAOYSA-N 0 2 341.327 2.878 20 5 EFBDLN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2cc(F)ccc21 ZINC000547796937 318042797 /nfs/dbraw/zinc/04/27/97/318042797.db2.gz LBTAOFLAPVHXFZ-UHFFFAOYSA-N 0 2 331.303 2.536 20 5 EFBDLN CC(F)(F)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000549903998 318184710 /nfs/dbraw/zinc/18/47/10/318184710.db2.gz FEHQTYARBUYANJ-UHFFFAOYSA-N 0 2 349.142 2.835 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2ccncc2)C1 ZINC000552225605 318249437 /nfs/dbraw/zinc/24/94/37/318249437.db2.gz JSNIDRJOJNAONK-CQSZACIVSA-N 0 2 327.340 2.715 20 5 EFBDLN Cc1cc(N(C)Cc2cn3c([nH+]2)CCCC3)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000563623631 318804383 /nfs/dbraw/zinc/80/43/83/318804383.db2.gz HPZYPLGXUHOJCD-UHFFFAOYSA-N 0 2 344.371 2.771 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cc3c(cn2)CCC3)cc1[N+](=O)[O-] ZINC000566228699 319049810 /nfs/dbraw/zinc/04/98/10/319049810.db2.gz KAUGXSGZVVSGGN-UHFFFAOYSA-N 0 2 347.396 2.842 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000566509958 319085284 /nfs/dbraw/zinc/08/52/84/319085284.db2.gz ZJKLHNMBDDCYAE-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC000566509958 319085286 /nfs/dbraw/zinc/08/52/86/319085286.db2.gz ZJKLHNMBDDCYAE-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000569592185 319395865 /nfs/dbraw/zinc/39/58/65/319395865.db2.gz VGOXDKFHIOTBJH-UHFFFAOYSA-N 0 2 342.764 2.650 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2c[nH]nc2C2CC2)c(C)cc1[N+](=O)[O-] ZINC000573699823 319791692 /nfs/dbraw/zinc/79/16/92/319791692.db2.gz PKDBIUBHBRQXNL-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC000296796637 323626907 /nfs/dbraw/zinc/62/69/07/323626907.db2.gz TWKMWCJINMUFFT-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000581369787 324363011 /nfs/dbraw/zinc/36/30/11/324363011.db2.gz VGJPQAZCAVLRCZ-UHFFFAOYSA-N 0 2 336.373 2.559 20 5 EFBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000079283196 463203096 /nfs/dbraw/zinc/20/30/96/463203096.db2.gz SNEGDICHFBHCJT-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184888571 473265390 /nfs/dbraw/zinc/26/53/90/473265390.db2.gz VYNWXPJZJAUHQO-ZANVPECISA-N 0 2 336.369 2.604 20 5 EFBDLN O=C(NCCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1O ZINC000184894164 473266044 /nfs/dbraw/zinc/26/60/44/473266044.db2.gz PBYAYAIGXCRKTD-UHFFFAOYSA-N 0 2 347.396 2.608 20 5 EFBDLN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184948088 473280719 /nfs/dbraw/zinc/28/07/19/473280719.db2.gz BOAVPFYXYBEWLR-NSHDSACASA-N 0 2 330.340 2.757 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000007054260 471587551 /nfs/dbraw/zinc/58/75/51/471587551.db2.gz GDHWICWRBQFWSK-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN CCN(CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000009920327 471723976 /nfs/dbraw/zinc/72/39/76/471723976.db2.gz OMGHXFYKCSPPSI-UHFFFAOYSA-N 0 2 343.383 2.947 20 5 EFBDLN O=C(NCc1coc(-c2cccs2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000010884390 471743980 /nfs/dbraw/zinc/74/39/80/471743980.db2.gz SIMKSEUKFWVACH-UHFFFAOYSA-N 0 2 345.336 2.947 20 5 EFBDLN Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000012616676 471786305 /nfs/dbraw/zinc/78/63/05/471786305.db2.gz LIJRNNAMTBTHRP-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN O=C(NCc1ccccc1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000012827400 471800927 /nfs/dbraw/zinc/80/09/27/471800927.db2.gz RMBKPRHZZARCIR-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN O=C(NCCc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000017296366 471959919 /nfs/dbraw/zinc/95/99/19/471959919.db2.gz XUQITVBMQNGHOU-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN Cc1ccccc1OCCN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000035307959 471994871 /nfs/dbraw/zinc/99/48/71/471994871.db2.gz UEFNHWODBWHRCH-UHFFFAOYSA-N 0 2 330.340 2.760 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2O)c(Cl)c1 ZINC000021055836 471996794 /nfs/dbraw/zinc/99/67/94/471996794.db2.gz AYDKVIYRBDOGOE-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000021281707 471998045 /nfs/dbraw/zinc/99/80/45/471998045.db2.gz JPKDYCJOQHTODQ-UHFFFAOYSA-N 0 2 326.359 2.516 20 5 EFBDLN Cc1nc2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000041284747 472052542 /nfs/dbraw/zinc/05/25/42/472052542.db2.gz NCATZCIMLDJMGQ-UHFFFAOYSA-N 0 2 326.312 2.597 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1C ZINC000055546121 472201442 /nfs/dbraw/zinc/20/14/42/472201442.db2.gz LTEDIOWUKQMMJP-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CC(C)n1ncc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cnc21 ZINC000029066644 472248775 /nfs/dbraw/zinc/24/87/75/472248775.db2.gz XNPLTLAMSFOFAX-UHFFFAOYSA-N 0 2 341.327 2.878 20 5 EFBDLN CCOCc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000030178246 472318180 /nfs/dbraw/zinc/31/81/80/472318180.db2.gz LCIOTIPSEQDJIU-UHFFFAOYSA-N 0 2 330.340 2.767 20 5 EFBDLN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031235702 472369533 /nfs/dbraw/zinc/36/95/33/472369533.db2.gz QHCVGKWHTPWUFV-CYBMUJFWSA-N 0 2 341.367 2.557 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)COCc1ccccc1 ZINC000097152923 472465987 /nfs/dbraw/zinc/46/59/87/472465987.db2.gz MOCTYBGSXNWWHD-ZDUSSCGKSA-N 0 2 344.367 2.883 20 5 EFBDLN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccc([N+](=O)[O-])cc1O ZINC000155136772 472511383 /nfs/dbraw/zinc/51/13/83/472511383.db2.gz KXJGILDBYUMAAP-UHFFFAOYSA-N 0 2 345.286 2.577 20 5 EFBDLN O=C(Nc1cc2c(cc1F)NC(=O)CC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155132078 472511530 /nfs/dbraw/zinc/51/15/30/472511530.db2.gz GQBGXZUMPFUOPX-UHFFFAOYSA-N 0 2 345.286 2.577 20 5 EFBDLN Cc1[nH+]c2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc2n1C ZINC000155355657 472535688 /nfs/dbraw/zinc/53/56/88/472535688.db2.gz QIEJLAGYYBHZGJ-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN O=C(Nc1ncccc1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000071794536 472566481 /nfs/dbraw/zinc/56/64/81/472566481.db2.gz WIJKJQHZBWUEDU-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(F)ccc1F ZINC000071799257 472567393 /nfs/dbraw/zinc/56/73/93/472567393.db2.gz JVFCSYSJAMAPGT-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN CCOCc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000102320589 472571692 /nfs/dbraw/zinc/57/16/92/472571692.db2.gz ZSMOISNSSAZUPH-UHFFFAOYSA-N 0 2 336.369 2.932 20 5 EFBDLN COc1ccc(-c2nsc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000103035220 472606620 /nfs/dbraw/zinc/60/66/20/472606620.db2.gz JYUIHFADVORJGL-UHFFFAOYSA-N 0 2 346.324 2.967 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000103059895 472608023 /nfs/dbraw/zinc/60/80/23/472608023.db2.gz VSRSCJOCFNNDBY-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN COc1ccccc1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000133303323 472790421 /nfs/dbraw/zinc/79/04/21/472790421.db2.gz OHRPBMZXEZXVDA-CYBMUJFWSA-N 0 2 342.351 2.939 20 5 EFBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1cnc2ccccc21 ZINC000092546239 472931827 /nfs/dbraw/zinc/93/18/27/472931827.db2.gz CWYBBQPKFAPTBZ-JTQLQIEISA-N 0 2 326.312 2.850 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cn2cccn2)cc1 ZINC000092547609 472933797 /nfs/dbraw/zinc/93/37/97/472933797.db2.gz LOZCZZZOIRJIIQ-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1nnc(-c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)o1 ZINC000092550112 472934781 /nfs/dbraw/zinc/93/47/81/472934781.db2.gz WASFNXKSNVHRHU-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(NCCCc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000050613776 473002707 /nfs/dbraw/zinc/00/27/07/473002707.db2.gz ZYXMZFYGOUFSMC-UHFFFAOYSA-N 0 2 340.339 2.539 20 5 EFBDLN CCOc1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080386432 473023974 /nfs/dbraw/zinc/02/39/74/473023974.db2.gz WRSQJCZZLAHNMW-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[nH]n1 ZINC000159965186 473077807 /nfs/dbraw/zinc/07/78/07/473077807.db2.gz IDVRLBQVQMUJIX-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2ncccc2c1 ZINC000135913995 473120884 /nfs/dbraw/zinc/12/08/84/473120884.db2.gz ONYPSWFPIIJZDF-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000110121401 473144616 /nfs/dbraw/zinc/14/46/16/473144616.db2.gz BLGRIKLZTWSGCT-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C)ccc1F ZINC000093929282 473163226 /nfs/dbraw/zinc/16/32/26/473163226.db2.gz RSOQYAMUPCJHIB-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)cc1F ZINC000093929376 473164585 /nfs/dbraw/zinc/16/45/85/473164585.db2.gz VECKATCAGPUNLA-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000163908690 473470948 /nfs/dbraw/zinc/47/09/48/473470948.db2.gz KJCKORBKRQMEQP-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCc2ccccc2C1 ZINC000114539483 473480902 /nfs/dbraw/zinc/48/09/02/473480902.db2.gz OKYNMAIGFREXJZ-OAHLLOKOSA-N 0 2 326.352 2.930 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000126092497 473487437 /nfs/dbraw/zinc/48/74/37/473487437.db2.gz GLCHGKMMDNFZRE-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000165899857 473517719 /nfs/dbraw/zinc/51/77/19/473517719.db2.gz WTCKIOXNQHTERO-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN COc1ccc2c(c1)CCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000170621120 473567876 /nfs/dbraw/zinc/56/78/76/473567876.db2.gz JPVWPMNDVBRIJT-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN CCCc1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000127344333 473601504 /nfs/dbraw/zinc/60/15/04/473601504.db2.gz RRWIVVSCXVMQCO-UHFFFAOYSA-N 0 2 327.387 2.805 20 5 EFBDLN C[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000127595625 473631196 /nfs/dbraw/zinc/63/11/96/473631196.db2.gz JDBNOEKJWRYCNY-CYBMUJFWSA-N 0 2 340.383 2.572 20 5 EFBDLN Cc1ccc(-c2n[nH]c(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)c2C)o1 ZINC000192483418 473684610 /nfs/dbraw/zinc/68/46/10/473684610.db2.gz IIXFLOKZJGSSMI-UHFFFAOYSA-N 0 2 343.299 2.548 20 5 EFBDLN Cc1ncc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000274176497 473753638 /nfs/dbraw/zinc/75/36/38/473753638.db2.gz AJJSMTHNNTXKOS-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CCSc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccn1 ZINC000187047062 473808422 /nfs/dbraw/zinc/80/84/22/473808422.db2.gz INWDLOFDRTZHEC-UHFFFAOYSA-N 0 2 333.369 2.737 20 5 EFBDLN COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000194137261 473849165 /nfs/dbraw/zinc/84/91/65/473849165.db2.gz LUIMOZHTEXACGJ-SECBINFHSA-N 0 2 334.303 2.939 20 5 EFBDLN C[C@]1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000188201120 474016948 /nfs/dbraw/zinc/01/69/48/474016948.db2.gz YUHOSTLRUCPCMX-GOSISDBHSA-N 0 2 342.351 2.688 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H](c2ccsc2)O1 ZINC000188199295 474017268 /nfs/dbraw/zinc/01/72/68/474017268.db2.gz SDQNEYPJQWGJCV-ZUZCIYMTSA-N 0 2 348.380 2.964 20 5 EFBDLN Cc1csc(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000181964153 474071365 /nfs/dbraw/zinc/07/13/65/474071365.db2.gz NYXFVUKQVAFOAB-UHFFFAOYSA-N 0 2 335.385 2.818 20 5 EFBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C12CCC2 ZINC000182121369 474103143 /nfs/dbraw/zinc/10/31/43/474103143.db2.gz RKCYRBYEYMNGPT-HUUCEWRRSA-N 0 2 334.372 2.720 20 5 EFBDLN O=C(N[C@H](CCCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000182122859 474103862 /nfs/dbraw/zinc/10/38/62/474103862.db2.gz HVBVTVGIQOWWOG-OAHLLOKOSA-N 0 2 330.340 2.544 20 5 EFBDLN O=C(NCCc1cc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1O ZINC000182136272 474106285 /nfs/dbraw/zinc/10/62/85/474106285.db2.gz VELRDBFEWLCLPL-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN O=[N+]([O-])c1ccc(NCc2nnc(COc3ccccc3)[nH]2)s1 ZINC000613700091 480082673 /nfs/dbraw/zinc/08/26/73/480082673.db2.gz FUWDKVUONXGXKQ-UHFFFAOYSA-N 0 2 331.357 2.966 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc2ccccc2n1C ZINC000175717866 474291129 /nfs/dbraw/zinc/29/11/29/474291129.db2.gz JYLZSXFTYOUUFB-JTQLQIEISA-N 0 2 340.339 2.678 20 5 EFBDLN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2nn[nH]c2c1 ZINC000175833590 474320318 /nfs/dbraw/zinc/32/03/18/474320318.db2.gz ICOLXQRLOJAYQM-UHFFFAOYSA-N 0 2 340.343 2.697 20 5 EFBDLN COC(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000189935721 474511798 /nfs/dbraw/zinc/51/17/98/474511798.db2.gz JMKNGKMFCLFXMY-UHFFFAOYSA-N 0 2 341.279 2.804 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)ccc1[N+](=O)[O-] ZINC000283890573 474520772 /nfs/dbraw/zinc/52/07/72/474520772.db2.gz CJMMVNNEAZBGPK-UHFFFAOYSA-N 0 2 339.373 2.990 20 5 EFBDLN CC(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000184678518 474582264 /nfs/dbraw/zinc/58/22/64/474582264.db2.gz KAPDOLUOWAQISP-UHFFFAOYSA-N 0 2 343.339 2.691 20 5 EFBDLN CC(C)(C)c1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000184755144 474601352 /nfs/dbraw/zinc/60/13/52/474601352.db2.gz ONUMANQNAOKIMW-UHFFFAOYSA-N 0 2 335.385 2.984 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2O)c2ncccc12 ZINC000184767078 474603280 /nfs/dbraw/zinc/60/32/80/474603280.db2.gz PSZQNSGUTUQHOB-UHFFFAOYSA-N 0 2 345.336 2.649 20 5 EFBDLN Cc1csc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)n1 ZINC000184817037 474613935 /nfs/dbraw/zinc/61/39/35/474613935.db2.gz OLTAJAXMIAHEQP-ZDUSSCGKSA-N 0 2 333.369 2.946 20 5 EFBDLN O=C(NCc1nc(-c2cccs2)c[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000338858664 474676024 /nfs/dbraw/zinc/67/60/24/474676024.db2.gz FRWKWFWFIWMBCH-UHFFFAOYSA-N 0 2 344.352 2.682 20 5 EFBDLN CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273361875 474860134 /nfs/dbraw/zinc/86/01/34/474860134.db2.gz OOCAJKRTLWTTGR-UHFFFAOYSA-N 0 2 339.348 2.544 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)c([N+](=O)[O-])c1 ZINC000337310539 474883983 /nfs/dbraw/zinc/88/39/83/474883983.db2.gz WAHBIWQNUFCXNF-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000318082877 474890135 /nfs/dbraw/zinc/89/01/35/474890135.db2.gz JRJMWZUWYJGLOE-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000339131035 474959398 /nfs/dbraw/zinc/95/93/98/474959398.db2.gz BKAHTLXYDGVVIP-UHFFFAOYSA-N 0 2 340.295 2.648 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000354612149 475290743 /nfs/dbraw/zinc/29/07/43/475290743.db2.gz UNLPWNHEWLSUJZ-UHFFFAOYSA-N 0 2 331.737 2.654 20 5 EFBDLN COCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000341976314 475466657 /nfs/dbraw/zinc/46/66/57/475466657.db2.gz UQPRPVLUWXTTTO-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c([N+](=O)[O-])c1 ZINC000346497724 475614488 /nfs/dbraw/zinc/61/44/88/475614488.db2.gz ZTWSCLLOCJRZDL-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN C[C@](O)(CCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000338186328 475659336 /nfs/dbraw/zinc/65/93/36/475659336.db2.gz PUWQSMLERIRNAC-KRWDZBQOSA-N 0 2 330.340 2.623 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000342972755 475665277 /nfs/dbraw/zinc/66/52/77/475665277.db2.gz SDFWAONNOLVLBI-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(C(F)F)c2)c1C ZINC000361789770 475755563 /nfs/dbraw/zinc/75/55/63/475755563.db2.gz UANKQOLPHIJVCD-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN CCOC(=O)c1cccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000343266516 475905234 /nfs/dbraw/zinc/90/52/34/475905234.db2.gz FJQFADCXSIZMPJ-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358782265 475933012 /nfs/dbraw/zinc/93/30/12/475933012.db2.gz BQHWRCMHPCKVKF-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000358800825 475950997 /nfs/dbraw/zinc/95/09/97/475950997.db2.gz OWVKEODYHRTRPL-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN Cc1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000362115145 476010510 /nfs/dbraw/zinc/01/05/10/476010510.db2.gz BVUXQRDCWRRYJV-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CC(C)(C)Oc1cc(NCCCc2n[nH]c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000343420996 476050844 /nfs/dbraw/zinc/05/08/44/476050844.db2.gz BZUNUIRXAOAOJX-UHFFFAOYSA-N 0 2 335.364 2.641 20 5 EFBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000360800725 476396913 /nfs/dbraw/zinc/39/69/13/476396913.db2.gz HTVGQWFOOZOCQG-CYBMUJFWSA-N 0 2 340.383 2.892 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000357524445 476431844 /nfs/dbraw/zinc/43/18/44/476431844.db2.gz XVZONALUAGNJLR-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=C(Nc1ccc(O[C@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357607365 476485575 /nfs/dbraw/zinc/48/55/75/476485575.db2.gz VDYRSLLPYAHSBT-AWEZNQCLSA-N 0 2 344.323 2.720 20 5 EFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000377814266 476594583 /nfs/dbraw/zinc/59/45/83/476594583.db2.gz MTOQBSUTPJIRNV-IINYFYTJSA-N 0 2 328.324 2.595 20 5 EFBDLN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000447069332 476948677 /nfs/dbraw/zinc/94/86/77/476948677.db2.gz RSEYYIJZFQYNNZ-UHFFFAOYSA-N 0 2 332.360 2.593 20 5 EFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457934185 477262813 /nfs/dbraw/zinc/26/28/13/477262813.db2.gz SWWWIQIBGMIRQQ-QMMMGPOBSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1noc(-c2ccccc2)n1 ZINC000433380788 477322481 /nfs/dbraw/zinc/32/24/81/477322481.db2.gz FNNQHZLHKOEWBG-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000376580642 477414366 /nfs/dbraw/zinc/41/43/66/477414366.db2.gz LBQITQCLVHFTOQ-STQMWFEESA-N 0 2 334.372 2.579 20 5 EFBDLN COc1cc(OC)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000436640879 477541013 /nfs/dbraw/zinc/54/10/13/477541013.db2.gz ZPLIEPFZRRPNQK-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN Cc1c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2nn1C ZINC000436652020 477546945 /nfs/dbraw/zinc/54/69/45/477546945.db2.gz ZDIRRMRCSGXQKK-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN COc1ccccc1O[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670652 477553053 /nfs/dbraw/zinc/55/30/53/477553053.db2.gz RQFGNHVHMGNZBM-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(NCc1cc(-c2ccccc2)no1)c1cc([N+](=O)[O-])ccc1O ZINC000436673659 477554361 /nfs/dbraw/zinc/55/43/61/477554361.db2.gz RXANLBRXVAKXCR-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=C(Nc1ccc(OC(F)F)nc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436722366 477570288 /nfs/dbraw/zinc/57/02/88/477570288.db2.gz MCNWCUKXHKEATD-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN Cn1ncc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000436810563 477598019 /nfs/dbraw/zinc/59/80/19/477598019.db2.gz SFVPAAVBBIMNMW-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN O=C(Nc1ccnn1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436868094 477619838 /nfs/dbraw/zinc/61/98/38/477619838.db2.gz FXVWGRLTAVGSJH-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871865 477621575 /nfs/dbraw/zinc/62/15/75/477621575.db2.gz UHRUJKIQOGCKQQ-VIFPVBQESA-N 0 2 334.303 2.939 20 5 EFBDLN O=C(NCc1nc(-c2cccs2)c[nH]1)c1cc([N+](=O)[O-])ccc1O ZINC000436878370 477621877 /nfs/dbraw/zinc/62/18/77/477621877.db2.gz BWZPCHPCKDZLDC-UHFFFAOYSA-N 0 2 344.352 2.682 20 5 EFBDLN COc1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436884405 477623722 /nfs/dbraw/zinc/62/37/22/477623722.db2.gz BYBNSSJMHURARU-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN CCOc1cccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436891602 477628019 /nfs/dbraw/zinc/62/80/19/477628019.db2.gz XUPVNVOOTLVVHY-JKSUJKDBSA-N 0 2 342.351 2.985 20 5 EFBDLN CCc1[nH]nc(C(=O)Nc2cc(F)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000436932893 477641569 /nfs/dbraw/zinc/64/15/69/477641569.db2.gz OXGJSODIDRHSRB-UHFFFAOYSA-N 0 2 328.687 2.631 20 5 EFBDLN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955359 477646445 /nfs/dbraw/zinc/64/64/45/477646445.db2.gz FAEDNQRRQHBTCD-QFYYESIMSA-N 0 2 348.330 2.946 20 5 EFBDLN CCOc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000436957703 477646786 /nfs/dbraw/zinc/64/67/86/477646786.db2.gz WPVXPVBBKAGINU-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN COCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436959628 477648670 /nfs/dbraw/zinc/64/86/70/477648670.db2.gz NEJKCPAIKKFVSN-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN COc1cc(NC(C)=O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437001540 477662629 /nfs/dbraw/zinc/66/26/29/477662629.db2.gz PXBIJGIOTHCUGJ-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN CSc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000437513210 477714093 /nfs/dbraw/zinc/71/40/93/477714093.db2.gz KNUIEMRPLFWDMS-UHFFFAOYSA-N 0 2 332.381 2.995 20 5 EFBDLN COc1cccc(C2=CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000377261182 477714607 /nfs/dbraw/zinc/71/46/07/477714607.db2.gz HNQVFWCCNJZOKY-UHFFFAOYSA-N 0 2 340.335 2.848 20 5 EFBDLN CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(F)F ZINC000451084950 477815389 /nfs/dbraw/zinc/81/53/89/477815389.db2.gz RRCNYRFGNSXYST-SSDOTTSWSA-N 0 2 328.724 2.570 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(CO)ccc2C)c([N+](=O)[O-])c1 ZINC000438757302 477883021 /nfs/dbraw/zinc/88/30/21/477883021.db2.gz WQKMWFHRUJTOGS-UHFFFAOYSA-N 0 2 336.369 2.505 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1OC ZINC000558591840 477891716 /nfs/dbraw/zinc/89/17/16/477891716.db2.gz HIAHWZXNPKGKSW-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000462635194 477913032 /nfs/dbraw/zinc/91/30/32/477913032.db2.gz BFTGCQFAEXFNMD-CQSZACIVSA-N 0 2 328.372 2.631 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nn1C(C)C ZINC000421176029 477996520 /nfs/dbraw/zinc/99/65/20/477996520.db2.gz REDYSMNUZQMXNU-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN CCN(CC)c1ccc(CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])c[nH+]1 ZINC000517572373 478104679 /nfs/dbraw/zinc/10/46/79/478104679.db2.gz LPEXYACSHKUGFJ-UHFFFAOYSA-N 0 2 345.359 2.541 20 5 EFBDLN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000488483921 478155002 /nfs/dbraw/zinc/15/50/02/478155002.db2.gz HXRVHFWHOCDSJE-HUUCEWRRSA-N 0 2 336.388 2.966 20 5 EFBDLN CC(C)(C)OC(=O)C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CCC1 ZINC000597441818 478353263 /nfs/dbraw/zinc/35/32/63/478353263.db2.gz HRNKVDOPFOSBBL-UHFFFAOYSA-N 0 2 336.344 2.751 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000591260588 478502188 /nfs/dbraw/zinc/50/21/88/478502188.db2.gz OFHBBTSTMRABHV-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CC(C)(C)OC(=O)Nc1cccc2c1N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC000496136537 478560834 /nfs/dbraw/zinc/56/08/34/478560834.db2.gz ZXGZCLQBQZSVRI-DGCLKSJQSA-N 0 2 347.371 2.588 20 5 EFBDLN O=C(/C=C\C1CCCCC1)NS(=O)(=O)c1cc([N+](=O)[O-])cs1 ZINC000491842339 478705207 /nfs/dbraw/zinc/70/52/07/478705207.db2.gz FFHITTJIYWKZMO-SREVYHEPSA-N 0 2 344.414 2.598 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598306214 478756686 /nfs/dbraw/zinc/75/66/86/478756686.db2.gz MVVXTNXLOHSLSA-XJKSGUPXSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598305862 478757191 /nfs/dbraw/zinc/75/71/91/478757191.db2.gz DMMHNBMFGWAUHS-WBMJQRKESA-N 0 2 334.372 2.722 20 5 EFBDLN CN(c1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000598378784 478795281 /nfs/dbraw/zinc/79/52/81/478795281.db2.gz KQYWVKAYIFXYCV-HNNXBMFYSA-N 0 2 341.367 2.651 20 5 EFBDLN Cc1ccc(C2CCN(c3nccc(C(=O)[O-])c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000565035585 478891251 /nfs/dbraw/zinc/89/12/51/478891251.db2.gz ODTUTSLLOCMAGL-UHFFFAOYSA-N 0 2 342.355 2.775 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598735686 478997379 /nfs/dbraw/zinc/99/73/79/478997379.db2.gz ZQQMHQALLZTMBF-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(-c2ccoc2)n1 ZINC000565460997 479011068 /nfs/dbraw/zinc/01/10/68/479011068.db2.gz FJIMRWWVXSQPTG-UHFFFAOYSA-N 0 2 328.284 2.546 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCCCC3)[nH+]c2)n1 ZINC000592967776 479110609 /nfs/dbraw/zinc/11/06/09/479110609.db2.gz AIDOPOQFYSEDTF-UHFFFAOYSA-N 0 2 343.343 2.817 20 5 EFBDLN Cc1oc(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC000515312745 479145999 /nfs/dbraw/zinc/14/59/99/479145999.db2.gz YVBZHBJSRGCAMX-UHFFFAOYSA-N 0 2 332.312 2.589 20 5 EFBDLN Cc1oc(C[N@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)cc1C(=O)[O-] ZINC000515312745 479146003 /nfs/dbraw/zinc/14/60/03/479146003.db2.gz YVBZHBJSRGCAMX-UHFFFAOYSA-N 0 2 332.312 2.589 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])o1 ZINC000611498292 479396911 /nfs/dbraw/zinc/39/69/11/479396911.db2.gz VBAFMELPQGKGSQ-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(NCc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])ccc1O ZINC000611534699 479407407 /nfs/dbraw/zinc/40/74/07/479407407.db2.gz URNGSJSNFDSZFL-UHFFFAOYSA-N 0 2 341.367 2.831 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000611535579 479407843 /nfs/dbraw/zinc/40/78/43/479407843.db2.gz ZYUQYCYKMOCAIE-OAHLLOKOSA-N 0 2 328.324 2.983 20 5 EFBDLN COCC[N@H+](Cc1ccc(C)o1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739440 479441972 /nfs/dbraw/zinc/44/19/72/479441972.db2.gz DTUDVOZJRKYWHD-UHFFFAOYSA-N 0 2 348.355 2.843 20 5 EFBDLN COCC[N@@H+](Cc1ccc(C)o1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739440 479441977 /nfs/dbraw/zinc/44/19/77/479441977.db2.gz DTUDVOZJRKYWHD-UHFFFAOYSA-N 0 2 348.355 2.843 20 5 EFBDLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593746581 479444770 /nfs/dbraw/zinc/44/47/70/479444770.db2.gz MLUZMYDEIKTJLY-INIZCTEOSA-N 0 2 331.328 2.689 20 5 EFBDLN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593746581 479444775 /nfs/dbraw/zinc/44/47/75/479444775.db2.gz MLUZMYDEIKTJLY-INIZCTEOSA-N 0 2 331.328 2.689 20 5 EFBDLN CCc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000603970234 479458145 /nfs/dbraw/zinc/45/81/45/479458145.db2.gz UOGFVDKSJOPAMR-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H]1c1ccc(O)cc1 ZINC000604485757 479524805 /nfs/dbraw/zinc/52/48/05/479524805.db2.gz XVOZQJPPFGZEHH-AWEZNQCLSA-N 0 2 328.324 2.983 20 5 EFBDLN CC(C)(CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000614856693 479529762 /nfs/dbraw/zinc/52/97/62/479529762.db2.gz JYFNGSMOGXEEBX-UHFFFAOYSA-N 0 2 344.286 2.743 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)cc1 ZINC000590597515 479665581 /nfs/dbraw/zinc/66/55/81/479665581.db2.gz JMEDVLJJAYSHFR-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccccc2O)c(F)cc1[N+](=O)[O-] ZINC000590597746 479665613 /nfs/dbraw/zinc/66/56/13/479665613.db2.gz ZUXZTGVICNFXTG-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C)cc(F)c1 ZINC000619468026 479802092 /nfs/dbraw/zinc/80/20/92/479802092.db2.gz SPVXMNDNDRYIEE-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2[nH]ccc2c1 ZINC000619466560 479802347 /nfs/dbraw/zinc/80/23/47/479802347.db2.gz ZHCMBTBMJJBSON-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000619578228 479833456 /nfs/dbraw/zinc/83/34/56/479833456.db2.gz HMUCKRGEAAVDPY-NUEKZKHPSA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609442294 480160532 /nfs/dbraw/zinc/16/05/32/480160532.db2.gz WBQHIZKBUQMIPU-UHFFFAOYSA-N 0 2 344.327 2.927 20 5 EFBDLN Cc1cc(=NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[nH]nc1C ZINC000609644592 480193558 /nfs/dbraw/zinc/19/35/58/480193558.db2.gz GAESNGJVASJHRH-UHFFFAOYSA-N 0 2 328.372 2.973 20 5 EFBDLN O=C(NC[C@H]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000609772580 480203272 /nfs/dbraw/zinc/20/32/72/480203272.db2.gz RUIINZSDXPTWQL-LBPRGKRZSA-N 0 2 326.352 2.835 20 5 EFBDLN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000073802518 519706181 /nfs/dbraw/zinc/70/61/81/519706181.db2.gz NPCKTVHZKXLWLN-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccccc1F ZINC000174543352 524718880 /nfs/dbraw/zinc/71/88/80/524718880.db2.gz MHIPFURSWRZYAH-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](c2ccccc2)O1 ZINC000067860188 524869002 /nfs/dbraw/zinc/86/90/02/524869002.db2.gz BUEYDMYUCMPFRZ-SJKOYZFVSA-N 0 2 342.351 2.903 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1F ZINC000180758001 525420420 /nfs/dbraw/zinc/42/04/20/525420420.db2.gz ROTLJYYCWBTGMJ-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180775410 526103819 /nfs/dbraw/zinc/10/38/19/526103819.db2.gz KHSARTXNTJNMEP-PIGZYNQJSA-N 0 2 330.340 2.794 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000181914732 526629575 /nfs/dbraw/zinc/62/95/75/526629575.db2.gz WQKYAMDTUZRDNS-AWEZNQCLSA-N 0 2 346.314 2.733 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC2CCCC2)CC1 ZINC000195203421 526713677 /nfs/dbraw/zinc/71/36/77/526713677.db2.gz KLNHEIKWHXBZOW-UHFFFAOYSA-N 0 2 334.372 2.864 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000180765415 527131582 /nfs/dbraw/zinc/13/15/82/527131582.db2.gz IOMUUIIJWGEOHW-SECBINFHSA-N 0 2 347.293 2.513 20 5 EFBDLN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000183415241 528237225 /nfs/dbraw/zinc/23/72/25/528237225.db2.gz KDTBPZTWIYLPHG-UHFFFAOYSA-N 0 2 343.339 2.611 20 5 EFBDLN CCCNC(=O)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000160079538 528451490 /nfs/dbraw/zinc/45/14/90/528451490.db2.gz WQYREZZDMNFBQD-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN CCOc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000434441354 535434259 /nfs/dbraw/zinc/43/42/59/535434259.db2.gz PLSJFWKHQOTQRJ-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356888425 536558379 /nfs/dbraw/zinc/55/83/79/536558379.db2.gz CORJMBMNOPZVGQ-MGPLVRAMSA-N 0 2 348.330 2.946 20 5 EFBDLN CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000356888427 536666398 /nfs/dbraw/zinc/66/63/98/536666398.db2.gz CORJMBMNOPZVGQ-QFYYESIMSA-N 0 2 348.330 2.946 20 5 EFBDLN CCCNC(=O)c1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000754942578 575517287 /nfs/dbraw/zinc/51/72/87/575517287.db2.gz RYNRVQWXCWUTDP-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN C[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000758034182 575858579 /nfs/dbraw/zinc/85/85/79/575858579.db2.gz ICSAYNMGACYIQD-MRVPVSSYSA-N 0 2 348.277 2.656 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc2[nH+]ccn21 ZINC000758469044 575870432 /nfs/dbraw/zinc/87/04/32/575870432.db2.gz LHXIPNBXFORHJC-UHFFFAOYSA-N 0 2 332.703 2.854 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cc2O)c1F ZINC000765104782 577007057 /nfs/dbraw/zinc/00/70/57/577007057.db2.gz WZROHMWVYCMHKV-UHFFFAOYSA-N 0 2 344.295 2.688 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnc3c(c2)CCCC3)cs1 ZINC000768865287 577311627 /nfs/dbraw/zinc/31/16/27/577311627.db2.gz GOTKQKSHOHIULV-UHFFFAOYSA-N 0 2 339.398 2.731 20 5 EFBDLN Cn1ccc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc21 ZINC000768881900 577313513 /nfs/dbraw/zinc/31/35/13/577313513.db2.gz LTODFICKYXKJSF-UHFFFAOYSA-N 0 2 337.382 2.949 20 5 EFBDLN O=C(CCOc1ccccc1[N+](=O)[O-])Nc1cc([N+](=O)[O-])ccc1O ZINC000770864490 581143134 /nfs/dbraw/zinc/14/31/34/581143134.db2.gz XZSYUYZQEZPJQD-UHFFFAOYSA-N 0 2 347.283 2.616 20 5 EFBDLN COc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000771997992 581269266 /nfs/dbraw/zinc/26/92/66/581269266.db2.gz RDQBSHQRHQMIED-UHFFFAOYSA-N 0 2 328.324 2.902 20 5 EFBDLN CC(=O)OCCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000773651195 581454086 /nfs/dbraw/zinc/45/40/86/581454086.db2.gz PYQVPPOHPBERQH-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN O=C([O-])C1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCCCC1 ZINC000739519579 600150681 /nfs/dbraw/zinc/15/06/81/600150681.db2.gz IZPBNNOTZSWRLJ-UHFFFAOYSA-N 0 2 346.343 2.522 20 5 EFBDLN O=C([O-])/C=C\c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000833197247 602326850 /nfs/dbraw/zinc/32/68/50/602326850.db2.gz NHSSDVMBMWESBS-RQOWECAXSA-N 0 2 338.323 2.952 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(NCCOc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000822270924 606723507 /nfs/dbraw/zinc/72/35/07/606723507.db2.gz DAZCPFHTRCSPNQ-UHFFFAOYSA-N 0 2 340.343 2.574 20 5 EFBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H](O)c1ccccc1 ZINC000792568594 1278884310 /nfs/dbraw/zinc/88/43/10/1278884310.db2.gz DNBLRODUBCOMFD-WBVHZDCISA-N 0 2 344.367 2.933 20 5 EFBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](O)c1ccccc1 ZINC000792568586 1278885334 /nfs/dbraw/zinc/88/53/34/1278885334.db2.gz DNBLRODUBCOMFD-DOTOQJQBSA-N 0 2 344.367 2.933 20 5 EFBDLN Cc1nc(Cl)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788490801 1276197665 /nfs/dbraw/zinc/19/76/65/1276197665.db2.gz JXBKNTDCZVQKMF-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN CCc1ccc(C(=O)n2[nH]c(=O)c3ccc(OC)cc32)cc1[N+](=O)[O-] ZINC000819956363 1276950891 /nfs/dbraw/zinc/95/08/91/1276950891.db2.gz XBNHMTLMMDVHEY-UHFFFAOYSA-N 0 2 341.323 2.910 20 5 EFBDLN CC(=O)SCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000793834252 1279911828 /nfs/dbraw/zinc/91/18/28/1279911828.db2.gz MISVYEUZIAJNAR-UHFFFAOYSA-N 0 2 340.401 2.870 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000813498502 1285968441 /nfs/dbraw/zinc/96/84/41/1285968441.db2.gz DDUMWOZRKFZIIZ-IUODEOHRSA-N 0 2 342.307 2.543 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2O)ccc1Cl ZINC000126091638 1290974624 /nfs/dbraw/zinc/97/46/24/1290974624.db2.gz HMQOUIPHYMZGAU-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903608468 1312934773 /nfs/dbraw/zinc/93/47/73/1312934773.db2.gz ISQMNSBFAQSSLI-LSDHHAIUSA-N 0 2 327.340 2.780 20 5 EFBDLN O=C([O-])[C@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000903608468 1312934775 /nfs/dbraw/zinc/93/47/75/1312934775.db2.gz ISQMNSBFAQSSLI-LSDHHAIUSA-N 0 2 327.340 2.780 20 5 EFBDLN O=c1ccoc2cc(O)cc(O[C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)c12 ZINC001233828162 1313000153 /nfs/dbraw/zinc/00/01/53/1313000153.db2.gz ZFHOERFNWHPHKH-CQSZACIVSA-N 0 2 339.303 2.953 20 5 EFBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cccc(F)c2Br)no1 ZINC000867118258 1293924041 /nfs/dbraw/zinc/92/40/41/1293924041.db2.gz ZPQVAJWNNJNWGL-VXNVDRBHSA-N 0 2 342.124 2.695 20 5 EFBDLN COc1ccc2c(c1)C(=O)N(C)[C@H](c1ccc([N+](=O)[O-])c(O)c1)N2 ZINC000102417697 1294210211 /nfs/dbraw/zinc/21/02/11/1294210211.db2.gz LWYQOZXYZSTFBV-OAHLLOKOSA-N 0 2 329.312 2.505 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000776198161 1296955299 /nfs/dbraw/zinc/95/52/99/1296955299.db2.gz UFEOSCRDRJTCSM-UHFFFAOYSA-N 0 2 342.267 2.942 20 5 EFBDLN C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000853989709 1300378067 /nfs/dbraw/zinc/37/80/67/1300378067.db2.gz QHMZNXLYLCZAGZ-SCZZXKLOSA-N 0 2 349.284 2.627 20 5 EFBDLN CCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386349 1310058981 /nfs/dbraw/zinc/05/89/81/1310058981.db2.gz GYRIDGFVSAQKFW-UHFFFAOYSA-N 0 2 325.708 2.706 20 5 EFBDLN CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(O)c2[N+](=O)[O-])[C@@H](F)C1 ZINC001225621056 1311554983 /nfs/dbraw/zinc/55/49/83/1311554983.db2.gz AIAOTYAOABYSHN-JOYOIKCWSA-N 0 2 342.323 2.637 20 5 EFBDLN O=[N+]([O-])c1ccccc1N1CC[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225619884 1311555027 /nfs/dbraw/zinc/55/50/27/1311555027.db2.gz JNIXNRSBFYLLAT-NSHDSACASA-N 0 2 345.311 2.866 20 5 EFBDLN C[C@@H](Oc1cccc(O)c1[N+](=O)[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC001225624241 1311555450 /nfs/dbraw/zinc/55/54/50/1311555450.db2.gz WVWXDFYKZZRIIV-SNVBAGLBSA-N 0 2 338.360 2.935 20 5 EFBDLN O=C([O-])c1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000902523196 1311832584 /nfs/dbraw/zinc/83/25/84/1311832584.db2.gz GRVBPZCOWWNXLT-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN O=C([O-])c1cccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000902523196 1311832587 /nfs/dbraw/zinc/83/25/87/1311832587.db2.gz GRVBPZCOWWNXLT-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN COc1ccc([C@H](C)Oc2nc(SC)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC001227625129 1311832908 /nfs/dbraw/zinc/83/29/08/1311832908.db2.gz PXVUJXKXNQXRQC-QMMMGPOBSA-N 0 2 337.357 2.961 20 5 EFBDLN O=[N+]([O-])C[C@H](Oc1nc2cccc(Br)c2[nH]1)C1CC1 ZINC001228682211 1311981283 /nfs/dbraw/zinc/98/12/83/1311981283.db2.gz SOZDMORTDXUFCN-JTQLQIEISA-N 0 2 326.150 2.760 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H](C)c4cncnc4)c3nc2cc1C ZINC001228686279 1311982012 /nfs/dbraw/zinc/98/20/12/1311982012.db2.gz MSIYRZSRKZGVGT-LLVKDONJSA-N 0 2 348.366 2.825 20 5 EFBDLN CC/C=C\CCOC(=O)[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228970922 1312029692 /nfs/dbraw/zinc/02/96/92/1312029692.db2.gz LCLPZANABHTOLN-LWTINBJPSA-N 0 2 325.317 2.673 20 5 EFBDLN CCCCOC[C@H](C)OC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972657 1312029998 /nfs/dbraw/zinc/02/99/98/1312029998.db2.gz BRQLPDYTMMGTDY-RYUDHWBXSA-N 0 2 343.376 2.995 20 5 EFBDLN CC(C)[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC001228972375 1312030225 /nfs/dbraw/zinc/03/02/25/1312030225.db2.gz WUMCWWLEXYAAKG-ZDUSSCGKSA-N 0 2 327.333 2.751 20 5 EFBDLN CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972658 1312030382 /nfs/dbraw/zinc/03/03/82/1312030382.db2.gz BRQLPDYTMMGTDY-VXGBXAGGSA-N 0 2 343.376 2.995 20 5 EFBDLN CCCSc1nc(O[C@@H](C)c2cncnc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791582 1312140501 /nfs/dbraw/zinc/14/05/01/1312140501.db2.gz LCMMXKALTRTTFA-QMMMGPOBSA-N 0 2 337.361 2.523 20 5 EFBDLN CCCSc1nc(O[C@@H](C)c2ncccn2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229796396 1312141809 /nfs/dbraw/zinc/14/18/09/1312141809.db2.gz KPHRUPQSODESKK-QMMMGPOBSA-N 0 2 337.361 2.523 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cnc1Cl ZINC000120041221 1314764008 /nfs/dbraw/zinc/76/40/08/1314764008.db2.gz WEKWWFMSCUOYRI-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN COc1nc(C)ccc1-c1noc(Cc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001247987622 1314878767 /nfs/dbraw/zinc/87/87/67/1314878767.db2.gz NJMYFRKZBPTJKV-UHFFFAOYSA-N 0 2 342.311 2.653 20 5 EFBDLN CC(=O)c1cc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)ccn1 ZINC001216859298 1315016338 /nfs/dbraw/zinc/01/63/38/1315016338.db2.gz UDNOQTMPOKRVQO-UHFFFAOYSA-N 0 2 340.295 2.923 20 5 EFBDLN COc1cncc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)c1 ZINC001216856989 1315016687 /nfs/dbraw/zinc/01/66/87/1315016687.db2.gz VFCZPDAIFPGRGC-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COC(=O)c1cc2nc(-c3cc(O)ccc3[N+](=O)[O-])[nH]c2cc1OC ZINC001250854311 1315279907 /nfs/dbraw/zinc/27/99/07/1315279907.db2.gz PXFXBILDYJXZJF-UHFFFAOYSA-N 0 2 343.295 2.639 20 5 EFBDLN Cn1nc(-c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001256034640 1315894164 /nfs/dbraw/zinc/89/41/64/1315894164.db2.gz GEUWEMWRHFQGHN-UHFFFAOYSA-N 0 2 328.284 2.546 20 5 EFBDLN CC[C@@H]1CCCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1CC ZINC001263057220 1316516133 /nfs/dbraw/zinc/51/61/33/1316516133.db2.gz XTYFPHPSDCYGSW-GFCCVEGCSA-N 0 2 331.376 2.958 20 5 EFBDLN CN(CCCF)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1CC1CC1 ZINC001263669737 1316554789 /nfs/dbraw/zinc/55/47/89/1316554789.db2.gz YTALBWAAMUIFHE-UHFFFAOYSA-N 0 2 349.366 2.765 20 5 EFBDLN C[C@H](COc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001320499977 1329146929 /nfs/dbraw/zinc/14/69/29/1329146929.db2.gz JLQXPPSXFWBWHV-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN C[C@@H](COc1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001320499976 1329147110 /nfs/dbraw/zinc/14/71/10/1329147110.db2.gz JLQXPPSXFWBWHV-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncc(OCC(F)F)c1 ZINC001320539926 1329157167 /nfs/dbraw/zinc/15/71/67/1329157167.db2.gz JBRWVPMQFWSWHB-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN Cc1nc(CSCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cs1 ZINC001337091931 1331536256 /nfs/dbraw/zinc/53/62/56/1331536256.db2.gz WZCIIKIWINDIIC-UHFFFAOYSA-N 0 2 339.398 2.937 20 5 EFBDLN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001340017494 1332128261 /nfs/dbraw/zinc/12/82/61/1332128261.db2.gz MLYSCUBIYZOTAL-ZYHUDNBSSA-N 0 2 331.376 2.721 20 5 EFBDLN CCOc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120202526 713000826 /nfs/dbraw/zinc/00/08/26/713000826.db2.gz QFYHCSDKCSOJFD-UHFFFAOYSA-N 0 2 328.371 2.856 20 5 EFBDLN O=C(COc1ccccc1[N+](=O)[O-])OC[C@@H]1Cc2ccccc2O1 ZINC000177822933 718205840 /nfs/dbraw/zinc/20/58/40/718205840.db2.gz OFYMCNDRASLWCA-ZDUSSCGKSA-N 0 2 329.308 2.521 20 5 EFBDLN O=C(COc1ccccc1[N+](=O)[O-])OC[C@H]1Cc2ccccc2O1 ZINC000177822919 718205925 /nfs/dbraw/zinc/20/59/25/718205925.db2.gz OFYMCNDRASLWCA-CYBMUJFWSA-N 0 2 329.308 2.521 20 5 EFBDLN CC(C)OC(=O)C[C@@H](NC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000171238959 728524450 /nfs/dbraw/zinc/52/44/50/728524450.db2.gz XZYKWMSELXGHEU-SNVBAGLBSA-N 0 2 348.277 2.656 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1O ZINC000174257499 728657474 /nfs/dbraw/zinc/65/74/74/728657474.db2.gz OGOOTQVNOZSBPP-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN CN1CCCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000068239460 729648166 /nfs/dbraw/zinc/64/81/66/729648166.db2.gz YGWGEXWMXBNZQL-UHFFFAOYSA-N 0 2 347.396 2.778 20 5 EFBDLN O=C([O-])[C@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901415518 956302331 /nfs/dbraw/zinc/30/23/31/956302331.db2.gz NYJKGGCEYVCURT-ZETCQYMHSA-N 0 2 349.206 2.715 20 5 EFBDLN O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901415518 956302341 /nfs/dbraw/zinc/30/23/41/956302341.db2.gz NYJKGGCEYVCURT-ZETCQYMHSA-N 0 2 349.206 2.715 20 5 EFBDLN C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C(=O)[O-] ZINC001573727524 960420734 /nfs/dbraw/zinc/42/07/34/960420734.db2.gz VGFJXUVSNSHNFK-IAQYHMDHSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C(=O)[O-] ZINC001573727524 960420740 /nfs/dbraw/zinc/42/07/40/960420740.db2.gz VGFJXUVSNSHNFK-IAQYHMDHSA-N 0 2 345.355 2.935 20 5 EFBDLN CC(C)C[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)n1cc[nH+]c1 ZINC001591120831 991792203 /nfs/dbraw/zinc/79/22/03/991792203.db2.gz PEBVUNRUAJDPBK-CQSZACIVSA-N 0 2 346.343 2.715 20 5 EFBDLN COc1ccc(C(=O)[O-])cc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001599500512 997109594 /nfs/dbraw/zinc/10/95/94/997109594.db2.gz IRSSMDPIZSJFPF-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccc(C(=O)[O-])cc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001599500512 997109604 /nfs/dbraw/zinc/10/96/04/997109604.db2.gz IRSSMDPIZSJFPF-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN Cc1cc2c(c(F)c1)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N2 ZINC001579610382 1090642862 /nfs/dbraw/zinc/64/28/62/1090642862.db2.gz GVMJZOFYEOERST-AWEZNQCLSA-N 0 2 331.303 2.723 20 5 EFBDLN Cc1ccc(NCCCNc2cc(CC(=O)[O-])cc[nH+]2)c([N+](=O)[O-])c1 ZINC001600459417 1095083954 /nfs/dbraw/zinc/08/39/54/1095083954.db2.gz KHTCVDRPYNYLDU-UHFFFAOYSA-N 0 2 344.371 2.839 20 5 EFBDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1cc([N+](=O)[O-])ccc1Br ZINC001600685804 1095259326 /nfs/dbraw/zinc/25/93/26/1095259326.db2.gz CISYODQRQIHYQL-UHFFFAOYSA-N 0 2 340.133 2.609 20 5 EFBDLN Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601036725 1095476182 /nfs/dbraw/zinc/47/61/82/1095476182.db2.gz NIVIHGOUBSITIH-INIZCTEOSA-N 0 2 344.371 2.754 20 5 EFBDLN Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601036725 1095476187 /nfs/dbraw/zinc/47/61/87/1095476187.db2.gz NIVIHGOUBSITIH-INIZCTEOSA-N 0 2 344.371 2.754 20 5 EFBDLN O=C([O-])COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC001602081893 1096051243 /nfs/dbraw/zinc/05/12/43/1096051243.db2.gz CZKMXZLYIYZBDW-UHFFFAOYSA-N 0 2 348.380 2.678 20 5 EFBDLN O=C([O-])COc1ccc(C[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC001602081893 1096051256 /nfs/dbraw/zinc/05/12/56/1096051256.db2.gz CZKMXZLYIYZBDW-UHFFFAOYSA-N 0 2 348.380 2.678 20 5 EFBDLN O=C([O-])c1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001602339097 1096188777 /nfs/dbraw/zinc/18/87/77/1096188777.db2.gz ACABHQDHWXUFPH-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1F ZINC001602339097 1096188778 /nfs/dbraw/zinc/18/87/78/1096188778.db2.gz ACABHQDHWXUFPH-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nc1C1CC1 ZINC001602348002 1096195006 /nfs/dbraw/zinc/19/50/06/1096195006.db2.gz KLFKOWPUHHWPNW-UHFFFAOYSA-N 0 2 345.330 2.994 20 5 EFBDLN O=C([O-])c1ccc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]c1 ZINC001602381606 1096216380 /nfs/dbraw/zinc/21/63/80/1096216380.db2.gz CVCWTBITUWKXSM-UHFFFAOYSA-N 0 2 326.312 2.824 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001602460044 1096257526 /nfs/dbraw/zinc/25/75/26/1096257526.db2.gz MLSCKZYAZTWNAS-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC001602460044 1096257535 /nfs/dbraw/zinc/25/75/35/1096257535.db2.gz MLSCKZYAZTWNAS-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN CCc1ncc(C[NH2+][C@@](C)(C(=O)[O-])c2cccc([N+](=O)[O-])c2)s1 ZINC001605860934 1097257084 /nfs/dbraw/zinc/25/70/84/1097257084.db2.gz DPPNMCSERKPIPG-OAHLLOKOSA-N 0 2 335.385 2.703 20 5 EFBDLN CN(CCCn1cc[nH+]c1)c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001606125742 1097323832 /nfs/dbraw/zinc/32/38/32/1097323832.db2.gz PSCMUAQVZRUAQZ-UHFFFAOYSA-N 0 2 338.751 2.669 20 5 EFBDLN Cc1cc([C@H]([NH2+]Cc2cc(O)ccc2[N+](=O)[O-])C(=O)[O-])ccc1F ZINC001607613443 1097677062 /nfs/dbraw/zinc/67/70/62/1097677062.db2.gz XWZUHSWSFRQHBW-HNNXBMFYSA-N 0 2 334.303 2.663 20 5 EFBDLN COc1nc(N[C@@H](c2ccccn2)C(F)(F)F)nc(C)c1[N+](=O)[O-] ZINC001168477754 1111338432 /nfs/dbraw/zinc/33/84/32/1111338432.db2.gz LHAARWYESYNHAC-JTQLQIEISA-N 0 2 343.265 2.812 20 5 EFBDLN O=C(N[C@H]1CCOc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1O ZINC000189629753 303979613 /nfs/dbraw/zinc/97/96/13/303979613.db2.gz DNHXZCJRWJSHTK-ZDUSSCGKSA-N 0 2 332.287 2.693 20 5 EFBDLN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436866153 304002911 /nfs/dbraw/zinc/00/29/11/304002911.db2.gz VVVBACKOYMMBSX-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN O=C(N[C@@H]1COc2cccc(Cl)c21)c1cc([N+](=O)[O-])ccc1O ZINC000436773447 303899145 /nfs/dbraw/zinc/89/91/45/303899145.db2.gz JHUJDVPCIDSOIY-LLVKDONJSA-N 0 2 334.715 2.817 20 5 EFBDLN O=C(CCc1cccc2c1OCO2)Nc1cc([N+](=O)[O-])ccc1O ZINC000353793546 146561260 /nfs/dbraw/zinc/56/12/60/146561260.db2.gz WTVSULUVEUGOAT-UHFFFAOYSA-N 0 2 330.296 2.600 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000031178257 212725885 /nfs/dbraw/zinc/72/58/85/212725885.db2.gz QHRHVSUDAQHNCU-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C(=O)N(C)C ZINC000164900283 239119075 /nfs/dbraw/zinc/11/90/75/239119075.db2.gz JEEYJACXEUZTID-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000175970032 239297101 /nfs/dbraw/zinc/29/71/01/239297101.db2.gz GNHLCOWRCKFDKG-UHFFFAOYSA-N 0 2 341.302 2.700 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000022411088 212295642 /nfs/dbraw/zinc/29/56/42/212295642.db2.gz MBWXVNIGTABTCI-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1c(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000193676514 240259168 /nfs/dbraw/zinc/25/91/68/240259168.db2.gz DIOMYQXOLIFZAQ-NSHDSACASA-N 0 2 347.293 2.545 20 5 EFBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000428668854 247519968 /nfs/dbraw/zinc/51/99/68/247519968.db2.gz UEBLLYUAWCQUIM-SMDDNHRTSA-N 0 2 338.429 2.940 20 5 EFBDLN C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(F)(F)F ZINC000439192769 249802198 /nfs/dbraw/zinc/80/21/98/249802198.db2.gz YIJOJRKAFWAPEB-ZCFIWIBFSA-N 0 2 329.238 2.517 20 5 EFBDLN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000092546188 218149255 /nfs/dbraw/zinc/14/92/55/218149255.db2.gz KMTXEMMVXRFWJM-VXGBXAGGSA-N 0 2 349.387 2.524 20 5 EFBDLN O=C(NCCc1ccc2[nH]ccc2c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000442989237 250147559 /nfs/dbraw/zinc/14/75/59/250147559.db2.gz GCSWJVKBSPLVCD-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN CCc1nc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cs1 ZINC000445233394 250396396 /nfs/dbraw/zinc/39/63/96/250396396.db2.gz LBRCAJXAAJXEFO-UHFFFAOYSA-N 0 2 332.341 2.960 20 5 EFBDLN COc1cccc(Cc2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000445191003 250393548 /nfs/dbraw/zinc/39/35/48/250393548.db2.gz OAUSQEOUCGKVIS-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000267806624 251364684 /nfs/dbraw/zinc/36/46/84/251364684.db2.gz ROUXQMXSGFWAGS-UHFFFAOYSA-N 0 2 345.764 2.962 20 5 EFBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000115715251 220892396 /nfs/dbraw/zinc/89/23/96/220892396.db2.gz FVYIVYGAHDHDHQ-CQSZACIVSA-N 0 2 341.367 2.699 20 5 EFBDLN CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000118529089 221154122 /nfs/dbraw/zinc/15/41/22/221154122.db2.gz VLZOIMQQNWKABJ-WFASDCNBSA-N 0 2 336.388 2.872 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N(C)c1ccccc1 ZINC000076369179 141354524 /nfs/dbraw/zinc/35/45/24/141354524.db2.gz CLVLBRTXMFIMMJ-GFCCVEGCSA-N 0 2 329.356 2.555 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cc1 ZINC000182950109 141377840 /nfs/dbraw/zinc/37/78/40/141377840.db2.gz BAPMUKUJIOMFIT-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN CCCN(CC(=O)[O-])c1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263386473 141389582 /nfs/dbraw/zinc/38/95/82/141389582.db2.gz FACJOSLCPXRFFU-UHFFFAOYSA-N 0 2 330.344 2.661 20 5 EFBDLN CCN1CCCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1=O ZINC000344973626 142105542 /nfs/dbraw/zinc/10/55/42/142105542.db2.gz FTXHIIHUUAIANN-UHFFFAOYSA-N 0 2 335.404 2.831 20 5 EFBDLN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345023640 142113335 /nfs/dbraw/zinc/11/33/35/142113335.db2.gz GRLHNJNATHXLPL-QLJPJBMISA-N 0 2 348.330 2.946 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc2[nH]ncc21 ZINC000346475681 142209878 /nfs/dbraw/zinc/20/98/78/142209878.db2.gz ISLNRUGPBDFADB-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc2[nH]ncc21 ZINC000346480650 142210140 /nfs/dbraw/zinc/21/01/40/142210140.db2.gz LXSURDJHYRKGNA-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc2[nH]ncc21 ZINC000346487523 142210719 /nfs/dbraw/zinc/21/07/19/142210719.db2.gz QNFYLHWACNURCG-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000342785358 145191833 /nfs/dbraw/zinc/19/18/33/145191833.db2.gz URGZFQADXTYSIT-JTQLQIEISA-N 0 2 338.389 2.872 20 5 EFBDLN Cc1ccc([C@@H](C)NC(=O)N=c2cc(C)c(C)n[nH]2)cc1[N+](=O)[O-] ZINC000343555462 145236853 /nfs/dbraw/zinc/23/68/53/145236853.db2.gz KHFSCECGIRYBNV-GFCCVEGCSA-N 0 2 329.360 2.615 20 5 EFBDLN Nc1c(F)cc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000343808326 145299350 /nfs/dbraw/zinc/29/93/50/145299350.db2.gz NXCKMYJZASKHDL-UHFFFAOYSA-N 0 2 325.683 2.927 20 5 EFBDLN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000351357605 146122346 /nfs/dbraw/zinc/12/23/46/146122346.db2.gz XZNFHLKTXWDAPF-UHFFFAOYSA-N 0 2 349.310 2.509 20 5 EFBDLN CC(C)(CF)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000351776903 146201832 /nfs/dbraw/zinc/20/18/32/146201832.db2.gz VLEWVFHBSIMSMM-UHFFFAOYSA-N 0 2 345.179 2.928 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2csc(Br)c2)[nH]1 ZINC000352013636 146264245 /nfs/dbraw/zinc/26/42/45/146264245.db2.gz LGZBICYBSWXENC-UPHRSURJSA-N 0 2 344.146 2.790 20 5 EFBDLN O=C(COC/C=C\c1ccccc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000356299219 147204306 /nfs/dbraw/zinc/20/43/06/147204306.db2.gz SZFHBMRSWVLOQX-DAXSKMNVSA-N 0 2 328.324 2.969 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1Cn1cccn1 ZINC000356320231 147211088 /nfs/dbraw/zinc/21/10/88/147211088.db2.gz KAONWVYVMVQMKQ-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1c(C)c(C)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(C)c1C ZINC000359400289 148076340 /nfs/dbraw/zinc/07/63/40/148076340.db2.gz ANYVODYYPDUYJS-UHFFFAOYSA-N 0 2 349.412 2.755 20 5 EFBDLN Cc1nn(C)c2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc12 ZINC000359564755 148124582 /nfs/dbraw/zinc/12/45/82/148124582.db2.gz VKCURVKCUXZCHG-UHFFFAOYSA-N 0 2 346.368 2.591 20 5 EFBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000359635781 148146397 /nfs/dbraw/zinc/14/63/97/148146397.db2.gz CFRKEFFIOWSDEM-SNVBAGLBSA-N 0 2 338.389 2.872 20 5 EFBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000359666388 148157310 /nfs/dbraw/zinc/15/73/10/148157310.db2.gz WTPCIJIEFQPINF-JTQLQIEISA-N 0 2 338.389 2.872 20 5 EFBDLN Cc1c(CNC(=O)c2cc(F)c(F)c(O)c2F)cccc1[N+](=O)[O-] ZINC000360541916 148388359 /nfs/dbraw/zinc/38/83/59/148388359.db2.gz WXJHUZDLPSVXSG-UHFFFAOYSA-N 0 2 340.257 2.956 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](Oc2ccccc2)C1 ZINC000378554584 152114585 /nfs/dbraw/zinc/11/45/85/152114585.db2.gz RSFSSPKTYVHRLM-HNNXBMFYSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC2(C1)CCCCCC2 ZINC000182120665 304504592 /nfs/dbraw/zinc/50/45/92/304504592.db2.gz RPFLXGCIXMYKRN-UHFFFAOYSA-N 0 2 334.372 2.866 20 5 EFBDLN O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184633968 265023644 /nfs/dbraw/zinc/02/36/44/265023644.db2.gz RDRUQOBOEAFWQW-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(C2CC2)c2ccccc21 ZINC000187545279 265108399 /nfs/dbraw/zinc/10/83/99/265108399.db2.gz BGOCIJYJHIKKML-UHFFFAOYSA-N 0 2 339.351 2.930 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(C2CC2)c2ccccc21 ZINC000187546281 265108872 /nfs/dbraw/zinc/10/88/72/265108872.db2.gz GXEYJRJVRQNPNH-UHFFFAOYSA-N 0 2 339.351 2.930 20 5 EFBDLN COc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1F ZINC000188575798 265141174 /nfs/dbraw/zinc/14/11/74/265141174.db2.gz FZQPWAZVYAZWPV-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)CCO3)cc1C ZINC000193704809 265342473 /nfs/dbraw/zinc/34/24/73/265342473.db2.gz ROCPMCWYLCLEJZ-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN O=C(CSC[C@H]1CCCCO1)Nc1cc([N+](=O)[O-])ccc1O ZINC000271582609 266012398 /nfs/dbraw/zinc/01/23/98/266012398.db2.gz SDEMKFMFMAIYKF-LLVKDONJSA-N 0 2 326.374 2.541 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276642620 267028691 /nfs/dbraw/zinc/02/86/91/267028691.db2.gz MQQPDWJFXCLMNA-UHFFFAOYSA-N 0 2 327.387 2.556 20 5 EFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000277277146 267145740 /nfs/dbraw/zinc/14/57/40/267145740.db2.gz SWYIVBHMVYXGTB-UHFFFAOYSA-N 0 2 347.293 2.607 20 5 EFBDLN CCCCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000277952581 267306555 /nfs/dbraw/zinc/30/65/55/267306555.db2.gz PBASGXWKRAETDD-UHFFFAOYSA-N 0 2 348.359 2.589 20 5 EFBDLN CCn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000279497742 273221770 /nfs/dbraw/zinc/22/17/70/273221770.db2.gz NQIUXPARGWPTSK-UHFFFAOYSA-N 0 2 344.371 2.537 20 5 EFBDLN CC1(C)N[C@H](c2ccc(O)c([N+](=O)[O-])c2)N(CC2CCCC2)C1=O ZINC000414196432 281398587 /nfs/dbraw/zinc/39/85/87/281398587.db2.gz ZRTFAGIIESHAKH-HNNXBMFYSA-N 0 2 333.388 2.700 20 5 EFBDLN CCCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000127336986 293066006 /nfs/dbraw/zinc/06/60/06/293066006.db2.gz CSYKSAREWJSGEO-UHFFFAOYSA-N 0 2 327.387 2.805 20 5 EFBDLN O=C(Nc1ccc(-c2nnco2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000130583137 293171240 /nfs/dbraw/zinc/17/12/40/293171240.db2.gz BUQCYSVNXHYTTA-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN CSc1ccc(C(=O)Nc2ccc3nn[nH]c3c2)cc1[N+](=O)[O-] ZINC000153255748 293367736 /nfs/dbraw/zinc/36/77/36/293367736.db2.gz RRWFXWUQYVZWNQ-UHFFFAOYSA-N 0 2 329.341 2.840 20 5 EFBDLN COCCCCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000291233691 294318902 /nfs/dbraw/zinc/31/89/02/294318902.db2.gz KPCAYJXUEOSARE-UHFFFAOYSA-N 0 2 345.355 2.917 20 5 EFBDLN C[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)OCCc2sccc21 ZINC000291579544 294420434 /nfs/dbraw/zinc/42/04/34/294420434.db2.gz PBFUJTSHSZMZFA-MRXNPFEDSA-N 0 2 348.380 2.580 20 5 EFBDLN Cc1nn(C(C)C)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000293235771 294916038 /nfs/dbraw/zinc/91/60/38/294916038.db2.gz AHWILTSYJWGKQK-UHFFFAOYSA-N 0 2 332.360 2.876 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1OCCc2sccc21 ZINC000294276820 295139859 /nfs/dbraw/zinc/13/98/59/295139859.db2.gz QEEGOXHOCNQBCO-VFZGTOFNSA-N 0 2 348.380 2.794 20 5 EFBDLN COc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)CCO2 ZINC000436805669 295270388 /nfs/dbraw/zinc/27/03/88/295270388.db2.gz FMJVDWIXEBLPLE-AWEZNQCLSA-N 0 2 344.323 2.563 20 5 EFBDLN COc1cccc(C2(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000341336515 295292159 /nfs/dbraw/zinc/29/21/59/295292159.db2.gz JSVGUVOUNOKCMH-UHFFFAOYSA-N 0 2 328.324 2.728 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](c2ccccc2)CO1 ZINC000187497416 300194567 /nfs/dbraw/zinc/19/45/67/300194567.db2.gz ACYOHNIBDSOHDB-LRDDRELGSA-N 0 2 342.351 2.903 20 5 EFBDLN C[C@H]1COc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000375813012 300369847 /nfs/dbraw/zinc/36/98/47/300369847.db2.gz JZDKPZMONICNRZ-NSHDSACASA-N 0 2 328.324 2.724 20 5 EFBDLN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000097373593 302498236 /nfs/dbraw/zinc/49/82/36/302498236.db2.gz RURJSDJTGGSAEJ-ZDUSSCGKSA-N 0 2 330.344 2.618 20 5 EFBDLN O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1O ZINC000436610801 303701353 /nfs/dbraw/zinc/70/13/53/303701353.db2.gz XSEQHDULIHFERG-UHFFFAOYSA-N 0 2 332.703 2.504 20 5 EFBDLN O=C(N[C@@H]1CCOc2c(F)cccc21)c1cc([N+](=O)[O-])ccc1O ZINC000436963263 303885019 /nfs/dbraw/zinc/88/50/19/303885019.db2.gz DNHXZCJRWJSHTK-CYBMUJFWSA-N 0 2 332.287 2.693 20 5 EFBDLN CCc1[nH]nc(C(=O)Nc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC000171367722 310747135 /nfs/dbraw/zinc/74/71/35/310747135.db2.gz WZSXGPGWLUZYAU-UHFFFAOYSA-N 0 2 326.259 2.734 20 5 EFBDLN O=[N+]([O-])c1ccccc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000302231983 311186341 /nfs/dbraw/zinc/18/63/41/311186341.db2.gz CHVILLVJVQMJAV-UHFFFAOYSA-N 0 2 325.328 2.904 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3cc[nH+]cc32)ccc1[O-] ZINC000325441917 311243005 /nfs/dbraw/zinc/24/30/05/311243005.db2.gz CUFJIDQOLDBIOB-UHFFFAOYSA-N 0 2 345.336 2.649 20 5 EFBDLN C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(F)(F)F ZINC000396964624 311959003 /nfs/dbraw/zinc/95/90/03/311959003.db2.gz KBFATRBRYRIJSB-SSDOTTSWSA-N 0 2 344.286 2.601 20 5 EFBDLN O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436974866 312604901 /nfs/dbraw/zinc/60/49/01/312604901.db2.gz CPNXHYDGCNTJNV-UHFFFAOYSA-N 0 2 348.262 2.509 20 5 EFBDLN COc1ccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436982341 312606006 /nfs/dbraw/zinc/60/60/06/312606006.db2.gz UANPEHLYYYVDKN-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN Cc1nc2sccn2c1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436991367 312607375 /nfs/dbraw/zinc/60/73/75/312607375.db2.gz SWNLZPOOMHCBKM-UHFFFAOYSA-N 0 2 346.368 2.590 20 5 EFBDLN COC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000495208501 314682409 /nfs/dbraw/zinc/68/24/09/314682409.db2.gz RRGBYOBGCYKUNR-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000522363185 316089669 /nfs/dbraw/zinc/08/96/69/316089669.db2.gz XFFQKFTZKDESAQ-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=C(Nc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970502 317735636 /nfs/dbraw/zinc/73/56/36/317735636.db2.gz FJNAQXTWMXMFEY-UHFFFAOYSA-N 0 2 335.703 2.531 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2ncccc2CC)cc1[N+](=O)[O-] ZINC000566856318 319116629 /nfs/dbraw/zinc/11/66/29/319116629.db2.gz YUYYPWCRWREKDS-UHFFFAOYSA-N 0 2 335.385 2.915 20 5 EFBDLN C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2[nH+]ccn21 ZINC000567590754 319186053 /nfs/dbraw/zinc/18/60/53/319186053.db2.gz BBUMGQXHXBWHAF-OIBJUYFYSA-N 0 2 336.735 2.586 20 5 EFBDLN O=C([O-])Cc1ccc(NCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000575871949 319961829 /nfs/dbraw/zinc/96/18/29/319961829.db2.gz YGJBRRLDRVXKGC-UHFFFAOYSA-N 0 2 330.344 2.531 20 5 EFBDLN O=C(NCc1cc(Cl)cc2c1OCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000184891710 323377332 /nfs/dbraw/zinc/37/73/32/323377332.db2.gz HSJCBDGASKPXTQ-UHFFFAOYSA-N 0 2 348.742 2.819 20 5 EFBDLN Cc1cc(N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583633327 324844599 /nfs/dbraw/zinc/84/45/99/324844599.db2.gz ADDPXGMKFDHYQP-NHYWBVRUSA-N 0 2 344.371 2.885 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)sc1C ZINC000078868275 463157224 /nfs/dbraw/zinc/15/72/24/463157224.db2.gz QDVKUFHMNMOCEO-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc1C ZINC000072851194 463554368 /nfs/dbraw/zinc/55/43/68/463554368.db2.gz ZBNFQGGSUPJOHE-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000081731371 473246970 /nfs/dbraw/zinc/24/69/70/473246970.db2.gz ZUVYIJICZCMHHQ-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184860720 473255898 /nfs/dbraw/zinc/25/58/98/473255898.db2.gz ZHVHERXSAINJID-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000161973874 473286901 /nfs/dbraw/zinc/28/69/01/473286901.db2.gz IBNBCWNUXCLJFZ-UHFFFAOYSA-N 0 2 341.414 2.977 20 5 EFBDLN O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000185103734 473329167 /nfs/dbraw/zinc/32/91/67/473329167.db2.gz FWSMYXALJLBRQL-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN CN(C)c1cccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000185155593 473346387 /nfs/dbraw/zinc/34/63/87/473346387.db2.gz VVPSDPLWZFHFFK-UHFFFAOYSA-N 0 2 329.356 2.639 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000083577537 473351993 /nfs/dbraw/zinc/35/19/93/473351993.db2.gz IQFFBBLPGOLEDU-UHFFFAOYSA-N 0 2 346.368 2.591 20 5 EFBDLN Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n[nH]c1C(F)(F)F ZINC000612534675 469489462 /nfs/dbraw/zinc/48/94/62/469489462.db2.gz ZQGMRWZAMHZHER-UHFFFAOYSA-N 0 2 330.222 2.603 20 5 EFBDLN CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185273027 473382774 /nfs/dbraw/zinc/38/27/74/473382774.db2.gz DYUKDVSBWNAYCO-OAHLLOKOSA-N 0 2 344.367 2.714 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2OC(F)F)c1 ZINC000005249556 471495074 /nfs/dbraw/zinc/49/50/74/471495074.db2.gz AJPDCPFFWCQNDJ-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007054283 471587379 /nfs/dbraw/zinc/58/73/79/471587379.db2.gz JHYYRGNICCKMRV-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000011871662 471759863 /nfs/dbraw/zinc/75/98/63/471759863.db2.gz FALWUULCYGMICD-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000014361913 471869937 /nfs/dbraw/zinc/86/99/37/471869937.db2.gz LBZZDAMKJCOZHW-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(O)c2)c(Cl)c1 ZINC000020558805 471991557 /nfs/dbraw/zinc/99/15/57/471991557.db2.gz NQSOMELCWVCWCQ-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000068297741 472165563 /nfs/dbraw/zinc/16/55/63/472165563.db2.gz MSBHRUHYDSLLKZ-UHFFFAOYSA-N 0 2 340.295 2.532 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1F ZINC000055618999 472213595 /nfs/dbraw/zinc/21/35/95/472213595.db2.gz SHHODXCUDLQWJR-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1O ZINC000086170902 472273835 /nfs/dbraw/zinc/27/38/35/472273835.db2.gz HZSGQTJWLYBLJE-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN O=C(Nc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000029913676 472304830 /nfs/dbraw/zinc/30/48/30/472304830.db2.gz KFGRNJKQJNDWGJ-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN O=C(NCCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000069595630 472378060 /nfs/dbraw/zinc/37/80/60/472378060.db2.gz FMUBIAIGLUOTGT-UHFFFAOYSA-N 0 2 347.396 2.608 20 5 EFBDLN O=C(Cc1cn2ccccc2[nH+]1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000097046254 472422974 /nfs/dbraw/zinc/42/29/74/472422974.db2.gz RACUFKATXLCFII-UHFFFAOYSA-N 0 2 346.730 2.783 20 5 EFBDLN Cc1noc2nc(C)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c12 ZINC000089531659 472456894 /nfs/dbraw/zinc/45/68/94/472456894.db2.gz QSKXWVINSOAABJ-UHFFFAOYSA-N 0 2 328.284 2.706 20 5 EFBDLN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531510 472457160 /nfs/dbraw/zinc/45/71/60/472457160.db2.gz ABCVPDYMWYAZQQ-ZDUSSCGKSA-N 0 2 349.387 2.666 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000097144359 472464517 /nfs/dbraw/zinc/46/45/17/472464517.db2.gz NIJZXJFRDLDFAO-UHFFFAOYSA-N 0 2 347.274 2.516 20 5 EFBDLN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000057753035 472472209 /nfs/dbraw/zinc/47/22/09/472472209.db2.gz DRJZZHXQHUNUJW-UHFFFAOYSA-N 0 2 340.295 2.532 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1C ZINC000098052294 472515287 /nfs/dbraw/zinc/51/52/87/472515287.db2.gz DBVKOZPDNKSAAB-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000071826176 472575632 /nfs/dbraw/zinc/57/56/32/472575632.db2.gz CBVXXKZPURTRPR-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000072758297 472711249 /nfs/dbraw/zinc/71/12/49/472711249.db2.gz VKTFHSGHSMKSOL-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000072758341 472712005 /nfs/dbraw/zinc/71/20/05/472712005.db2.gz POICWJHRTHDTAS-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c2n[nH]cc21 ZINC000063635417 472796766 /nfs/dbraw/zinc/79/67/66/472796766.db2.gz NADBWGLQUUDSSS-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-n1cccn1 ZINC000048356483 472863381 /nfs/dbraw/zinc/86/33/81/472863381.db2.gz OQIQHJIFGUSLCC-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134226406 472886980 /nfs/dbraw/zinc/88/69/80/472886980.db2.gz NWVQLROKRUAALW-ZDUSSCGKSA-N 0 2 330.344 2.618 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnc(OCC(F)F)c1 ZINC000092549148 472933157 /nfs/dbraw/zinc/93/31/57/472933157.db2.gz GHMGPUXIDMYVPO-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(OCC(F)F)n1 ZINC000092546703 472933944 /nfs/dbraw/zinc/93/39/44/472933944.db2.gz CFNWVDTUGLLACI-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)cc2nccnc21 ZINC000092548998 472933990 /nfs/dbraw/zinc/93/39/90/472933990.db2.gz IXTSTHACZSRCKU-UHFFFAOYSA-N 0 2 328.259 2.635 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000134759513 472962651 /nfs/dbraw/zinc/96/26/51/472962651.db2.gz KAEJDUBEEUXVFY-UHFFFAOYSA-N 0 2 345.764 2.908 20 5 EFBDLN COc1cc(Cl)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000107778620 472982142 /nfs/dbraw/zinc/98/21/42/472982142.db2.gz XQRYCLIMLYUBAG-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066249990 473065325 /nfs/dbraw/zinc/06/53/25/473065325.db2.gz FLJMBGXDAWONBO-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN COc1ccsc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000135615532 473100626 /nfs/dbraw/zinc/10/06/26/473100626.db2.gz PEUZPTLZHAORKE-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN CCN1CCc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000160245290 473100797 /nfs/dbraw/zinc/10/07/97/473100797.db2.gz DDHJFSAGTKSGKQ-UHFFFAOYSA-N 0 2 327.340 2.935 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1 ZINC000160398735 473116979 /nfs/dbraw/zinc/11/69/79/473116979.db2.gz POZLDXAFCNHXDU-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000093929379 473163656 /nfs/dbraw/zinc/16/36/56/473163656.db2.gz GMQNIRHUPPYGPO-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCO[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCCC2 ZINC000075357284 473174888 /nfs/dbraw/zinc/17/48/88/473174888.db2.gz AADLUYZAITVYBF-CABCVRRESA-N 0 2 334.372 2.768 20 5 EFBDLN O=C(NC[C@@H]1CCOc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000185715130 473496152 /nfs/dbraw/zinc/49/61/52/473496152.db2.gz DCNPEOKQUWCCSJ-NSHDSACASA-N 0 2 328.324 2.597 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000152067252 473522180 /nfs/dbraw/zinc/52/21/80/473522180.db2.gz HYJCKMIKPCNERE-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN COC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191419357 473536720 /nfs/dbraw/zinc/53/67/20/473536720.db2.gz FSSNMSBBHMFJAC-HNNXBMFYSA-N 0 2 344.367 2.630 20 5 EFBDLN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000191428985 473539131 /nfs/dbraw/zinc/53/91/31/473539131.db2.gz ACKXRKHESRPZRV-OAHLLOKOSA-N 0 2 344.367 2.630 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)sc1C ZINC000172192718 473545880 /nfs/dbraw/zinc/54/58/80/473545880.db2.gz ZDKZRSQOMJNCGA-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000126798753 473546182 /nfs/dbraw/zinc/54/61/82/473546182.db2.gz MADTURAFHYFJKJ-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc2[nH+]ccn2c1 ZINC000186053296 473580988 /nfs/dbraw/zinc/58/09/88/473580988.db2.gz NAFXJQFFSZBQKH-UHFFFAOYSA-N 0 2 332.703 2.854 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186432448 473673421 /nfs/dbraw/zinc/67/34/21/473673421.db2.gz BBUOIVCGNKDORT-GOSISDBHSA-N 0 2 340.335 2.572 20 5 EFBDLN C[C@H](CC(=O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179544214 473693344 /nfs/dbraw/zinc/69/33/44/473693344.db2.gz ZSFKSGBGPBUGCX-LLVKDONJSA-N 0 2 328.324 2.692 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000187569906 473886582 /nfs/dbraw/zinc/88/65/82/473886582.db2.gz APANNLQCGHCSNY-SFHVURJKSA-N 0 2 340.335 2.572 20 5 EFBDLN O=C(NC1CCN(c2cccs2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000187895462 473939406 /nfs/dbraw/zinc/93/94/06/473939406.db2.gz FFNXZZYRLMVJPG-UHFFFAOYSA-N 0 2 347.396 2.761 20 5 EFBDLN CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274849773 473987597 /nfs/dbraw/zinc/98/75/97/473987597.db2.gz HHIGMGVJACFXHR-KRWDZBQOSA-N 0 2 342.351 2.686 20 5 EFBDLN C[C@@]1(c2ccccc2)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000188201152 474017222 /nfs/dbraw/zinc/01/72/22/474017222.db2.gz YUHOSTLRUCPCMX-SFHVURJKSA-N 0 2 342.351 2.688 20 5 EFBDLN CC(C)(C)OC(=O)NCCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000270440125 474119453 /nfs/dbraw/zinc/11/94/53/474119453.db2.gz ZMISAMYYSCKLIL-UHFFFAOYSA-N 0 2 339.348 2.544 20 5 EFBDLN Cn1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000182908126 474284019 /nfs/dbraw/zinc/28/40/19/474284019.db2.gz ANACJJHMYUXFOL-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2nn[nH]c2c1 ZINC000175825725 474317936 /nfs/dbraw/zinc/31/79/36/474317936.db2.gz VZULMPRZAWUXGU-UHFFFAOYSA-N 0 2 329.341 2.597 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2n[nH]c(C3CCC3)n2)c1 ZINC000283215188 474340571 /nfs/dbraw/zinc/34/05/71/474340571.db2.gz RWKRQBLMGYDCQS-UHFFFAOYSA-N 0 2 331.332 2.631 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(N2CCCC2)ccn1 ZINC000189354686 474369826 /nfs/dbraw/zinc/36/98/26/474369826.db2.gz CLFIDKPTEQXGCL-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184651894 474574930 /nfs/dbraw/zinc/57/49/30/474574930.db2.gz FQWMWOYIODUBGJ-CYBMUJFWSA-N 0 2 341.367 2.557 20 5 EFBDLN O=C(NCc1csc(-c2ccco2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000184722374 474594602 /nfs/dbraw/zinc/59/46/02/474594602.db2.gz IGRPXTJBCRATNS-UHFFFAOYSA-N 0 2 345.336 2.947 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000184743021 474599097 /nfs/dbraw/zinc/59/90/97/474599097.db2.gz PTWZINYTEGJNKC-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(NC1(c2nccs2)CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184789990 474607402 /nfs/dbraw/zinc/60/74/02/474607402.db2.gz PKIOXHLXVCPZLD-UHFFFAOYSA-N 0 2 333.369 2.956 20 5 EFBDLN Cc1noc2ncc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)cc12 ZINC000338880682 474697704 /nfs/dbraw/zinc/69/77/04/474697704.db2.gz OCNLACYDRRDEOR-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cncc(F)c2)c1C ZINC000337290930 474865559 /nfs/dbraw/zinc/86/55/59/474865559.db2.gz ODHWZOHFNBURRX-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2O)c(Cl)c1 ZINC000315873012 474874530 /nfs/dbraw/zinc/87/45/30/474874530.db2.gz PXEJNWGXOVOMLC-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)cc2O)cc1C ZINC000320730284 474917264 /nfs/dbraw/zinc/91/72/64/474917264.db2.gz ULZGVMKOGDXTAM-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN O=C(NCc1cc(-c2ccccc2)no1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000339196519 475028238 /nfs/dbraw/zinc/02/82/38/475028238.db2.gz NGUKCPLBEOIJGH-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337748807 475293130 /nfs/dbraw/zinc/29/31/30/475293130.db2.gz HVKBMGWAKVSSLY-UHFFFAOYSA-N 0 2 345.336 2.649 20 5 EFBDLN COCCOc1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000341963281 475456335 /nfs/dbraw/zinc/45/63/35/475456335.db2.gz FWFPMMPTVNVPBW-UHFFFAOYSA-N 0 2 346.339 2.886 20 5 EFBDLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000358492126 475721664 /nfs/dbraw/zinc/72/16/64/475721664.db2.gz LWUYIOBZCCNWIC-SNVBAGLBSA-N 0 2 336.373 2.699 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCCCO2 ZINC000355337424 475840201 /nfs/dbraw/zinc/84/02/01/475840201.db2.gz BHMWKQRTIVKOLQ-UHFFFAOYSA-N 0 2 330.296 2.714 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)oc1C ZINC000362119098 476013112 /nfs/dbraw/zinc/01/31/12/476013112.db2.gz QICQXUXVWDGFPO-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccn2n1 ZINC000355572021 476040892 /nfs/dbraw/zinc/04/08/92/476040892.db2.gz GHUOZLXFAGIRLW-UHFFFAOYSA-N 0 2 332.703 2.854 20 5 EFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000343429117 476056358 /nfs/dbraw/zinc/05/63/58/476056358.db2.gz FOHLVQDWDBUNQI-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN COCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340544446 476099719 /nfs/dbraw/zinc/09/97/19/476099719.db2.gz UNFOIZOEMSBSKA-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN COc1ccccc1OCCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000340549962 476100785 /nfs/dbraw/zinc/10/07/85/476100785.db2.gz PCLZRNRMUOFCLB-UHFFFAOYSA-N 0 2 332.312 2.717 20 5 EFBDLN O=C(Nc1ccc(-c2nnc[nH]2)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000344307383 476235739 /nfs/dbraw/zinc/23/57/39/476235739.db2.gz LTGASMXNWBOOLH-UHFFFAOYSA-N 0 2 333.304 2.833 20 5 EFBDLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000347317371 476253956 /nfs/dbraw/zinc/25/39/56/476253956.db2.gz VRGIZYZMNURTNQ-UHFFFAOYSA-N 0 2 335.385 2.510 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2O)c1[N+](=O)[O-] ZINC000359641174 476255754 /nfs/dbraw/zinc/25/57/54/476255754.db2.gz MQLSSSDLSOJUDJ-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000350667861 476286490 /nfs/dbraw/zinc/28/64/90/476286490.db2.gz FGPRHPPLSVYPIB-UHFFFAOYSA-N 0 2 338.389 2.626 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc(F)cc2O)ccc1[N+](=O)[O-] ZINC000360619705 476319062 /nfs/dbraw/zinc/31/90/62/476319062.db2.gz METFVPPWZUCSFH-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000360800726 476396997 /nfs/dbraw/zinc/39/69/97/476396997.db2.gz HTVGQWFOOZOCQG-ZDUSSCGKSA-N 0 2 340.383 2.892 20 5 EFBDLN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357594548 476477948 /nfs/dbraw/zinc/47/79/48/476477948.db2.gz NEORZUVIHFURFY-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN CC(C)n1ncc2c1[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000364028650 476508797 /nfs/dbraw/zinc/50/87/97/476508797.db2.gz KOFWZXBZMLHFJK-CYBMUJFWSA-N 0 2 344.371 2.885 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000374798866 476534509 /nfs/dbraw/zinc/53/45/09/476534509.db2.gz LEMKSDGKKVMYKH-STQMWFEESA-N 0 2 334.372 2.579 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000361046620 476565027 /nfs/dbraw/zinc/56/50/27/476565027.db2.gz ZFWSUGGNUQDDKN-UHFFFAOYSA-N 0 2 340.335 2.694 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(Cc2cccnc2)CC1 ZINC000361084531 476589140 /nfs/dbraw/zinc/58/91/40/476589140.db2.gz CIESRJUUJVCLSY-UHFFFAOYSA-N 0 2 341.367 2.790 20 5 EFBDLN CC(C)(C(=O)N=c1ccc(C2CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000357872468 476663297 /nfs/dbraw/zinc/66/32/97/476663297.db2.gz SUVJXPMBPKEGRF-UHFFFAOYSA-N 0 2 344.346 2.740 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000366223931 476912448 /nfs/dbraw/zinc/91/24/48/476912448.db2.gz YTKSLUAZQQGTGF-XLKFXECMSA-N 0 2 332.287 2.692 20 5 EFBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](Oc2ccccc2)C1 ZINC000416269353 477101948 /nfs/dbraw/zinc/10/19/48/477101948.db2.gz CYSSFYDDWBOEBZ-CQSZACIVSA-N 0 2 342.351 2.984 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc3c(c2)OCCCCO3)[nH]1 ZINC000453032584 477149131 /nfs/dbraw/zinc/14/91/31/477149131.db2.gz XIKQFSOWHWRRSA-HYXAFXHYSA-N 0 2 345.311 2.518 20 5 EFBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457919178 477256853 /nfs/dbraw/zinc/25/68/53/477256853.db2.gz MJBLKKUJFVUZAF-QMMMGPOBSA-N 0 2 333.369 2.737 20 5 EFBDLN Cc1cc(NCCC(C)(C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000424370915 477381686 /nfs/dbraw/zinc/38/16/86/477381686.db2.gz FCHMUGQETDSNRQ-UHFFFAOYSA-N 0 2 344.371 2.695 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000376580640 477415005 /nfs/dbraw/zinc/41/50/05/477415005.db2.gz LBQITQCLVHFTOQ-OLZOCXBDSA-N 0 2 334.372 2.579 20 5 EFBDLN Cc1cccnc1C(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436618430 477534870 /nfs/dbraw/zinc/53/48/70/477534870.db2.gz NUXAUQGAINKPTA-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN COc1cc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000436668968 477552602 /nfs/dbraw/zinc/55/26/02/477552602.db2.gz GLUDUORXIKVCOA-UHFFFAOYSA-N 0 2 330.340 2.590 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2n[nH]cc2c1 ZINC000436700870 477564056 /nfs/dbraw/zinc/56/40/56/477564056.db2.gz YBWBVMHGBGYPCR-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN COc1cc(OC)cc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436820759 477601489 /nfs/dbraw/zinc/60/14/89/477601489.db2.gz MYLWOTHFOMWVRX-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2ccccc2)C1 ZINC000436868033 477620208 /nfs/dbraw/zinc/62/02/08/477620208.db2.gz GIUIVTZEJBYPGP-INIZCTEOSA-N 0 2 328.324 2.514 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)N(C)c1ccccc1 ZINC000436870134 477620230 /nfs/dbraw/zinc/62/02/30/477620230.db2.gz OZVLVIFYQDEQJH-GFCCVEGCSA-N 0 2 329.356 2.555 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1cccc(F)c1 ZINC000436871400 477621648 /nfs/dbraw/zinc/62/16/48/477621648.db2.gz SIJDJPFSKIXTGG-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN O=C(NCc1nc(-c2cccs2)c[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000436878313 477621922 /nfs/dbraw/zinc/62/19/22/477621922.db2.gz BIGWBSVWOPGVGD-UHFFFAOYSA-N 0 2 344.352 2.682 20 5 EFBDLN O=C(NCC1(c2cccc(F)c2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436875177 477622019 /nfs/dbraw/zinc/62/20/19/477622019.db2.gz XCZBPDQRZIKUKF-UHFFFAOYSA-N 0 2 330.315 2.901 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1ccc(F)cc1 ZINC000436872883 477622379 /nfs/dbraw/zinc/62/23/79/477622379.db2.gz XUSYQBNDMPBHDZ-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN CC[C@@H](C)Oc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccn1 ZINC000436896492 477627838 /nfs/dbraw/zinc/62/78/38/477627838.db2.gz ZBVGVIGGFKYDMW-LLVKDONJSA-N 0 2 345.355 2.803 20 5 EFBDLN COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436899941 477629446 /nfs/dbraw/zinc/62/94/46/477629446.db2.gz LVKLXDWWZITNRQ-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN O=C(Nc1cc2c(cc1F)CCC(=O)N2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436951421 477644438 /nfs/dbraw/zinc/64/44/38/477644438.db2.gz QJIKMIFLSKDEIF-UHFFFAOYSA-N 0 2 345.286 2.577 20 5 EFBDLN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436959252 477648604 /nfs/dbraw/zinc/64/86/04/477648604.db2.gz MIFBONBUEPVUHP-MGPLVRAMSA-N 0 2 348.330 2.946 20 5 EFBDLN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436963891 477651393 /nfs/dbraw/zinc/65/13/93/477651393.db2.gz DXJVMFGFQXDOPR-GJZGRUSLSA-N 0 2 336.388 2.966 20 5 EFBDLN CCOc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000437007111 477661305 /nfs/dbraw/zinc/66/13/05/477661305.db2.gz ZDFIKDJXQQMDII-UHFFFAOYSA-N 0 2 342.351 2.898 20 5 EFBDLN O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000437001204 477662038 /nfs/dbraw/zinc/66/20/38/477662038.db2.gz ODJCBRWOMKLRQH-MFKMUULPSA-N 0 2 334.278 2.865 20 5 EFBDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000367800587 477695781 /nfs/dbraw/zinc/69/57/81/477695781.db2.gz UTQMQNXWGSTLST-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000372233424 477705646 /nfs/dbraw/zinc/70/56/46/477705646.db2.gz SJEUNCQNUHBWMH-QWHCGFSZSA-N 0 2 334.372 2.579 20 5 EFBDLN CCc1occc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000437537708 477717277 /nfs/dbraw/zinc/71/72/77/477717277.db2.gz KUKZFUGOHFDPDS-UHFFFAOYSA-N 0 2 327.300 2.788 20 5 EFBDLN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000437588787 477723842 /nfs/dbraw/zinc/72/38/42/477723842.db2.gz CEIAHHKVTQRMEJ-NSHDSACASA-N 0 2 345.355 3.000 20 5 EFBDLN Cc1ccc(-c2cc(=NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[nH][nH]2)s1 ZINC000428039334 477809637 /nfs/dbraw/zinc/80/96/37/477809637.db2.gz RFJKZUFFFOHBAE-UHFFFAOYSA-N 0 2 344.352 2.735 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc3c(n2)CCC3)ccc1[N+](=O)[O-] ZINC000451098192 477821655 /nfs/dbraw/zinc/82/16/55/477821655.db2.gz WEVCMEMOQYWWFK-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN CCCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000451099578 477822356 /nfs/dbraw/zinc/82/23/56/477822356.db2.gz MLZULTNNYCOXRR-UHFFFAOYSA-N 0 2 336.373 2.528 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nn1C(C)C ZINC000421177353 477997438 /nfs/dbraw/zinc/99/74/38/477997438.db2.gz VJOAXNYOYGLHPX-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN COCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000560167753 478026963 /nfs/dbraw/zinc/02/69/63/478026963.db2.gz SENXPMJAGDRZHY-UHFFFAOYSA-N 0 2 346.339 2.886 20 5 EFBDLN COC(=O)N(C)c1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000494971145 478094161 /nfs/dbraw/zinc/09/41/61/478094161.db2.gz LLRWQVJCYDQCFK-UHFFFAOYSA-N 0 2 345.311 2.755 20 5 EFBDLN COc1ccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000440314140 478103723 /nfs/dbraw/zinc/10/37/23/478103723.db2.gz KGDKOFKLHJXGFC-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN COC(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000495193039 478137678 /nfs/dbraw/zinc/13/76/78/478137678.db2.gz UVAHWOSTFVQKIW-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000570931334 478483616 /nfs/dbraw/zinc/48/36/16/478483616.db2.gz LNCRJQUMFLCRHV-IAQYHMDHSA-N 0 2 330.344 2.577 20 5 EFBDLN CCc1ccc(C)nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000594728542 478517957 /nfs/dbraw/zinc/51/79/57/478517957.db2.gz INXRARLIXDTEFZ-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000594730535 478518671 /nfs/dbraw/zinc/51/86/71/478518671.db2.gz NAHVCPRXSCBMRE-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN COc1ccc2c(c1)CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000594734324 478521041 /nfs/dbraw/zinc/52/10/41/478521041.db2.gz XBKMUMBORJPPOW-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccc2c(c1)CC[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C2 ZINC000594734324 478521046 /nfs/dbraw/zinc/52/10/46/478521046.db2.gz XBKMUMBORJPPOW-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN CCC[C@@H](OCC)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000600816179 478532570 /nfs/dbraw/zinc/53/25/70/478532570.db2.gz FICYZCOLGAOHMH-GFCCVEGCSA-N 0 2 333.348 2.524 20 5 EFBDLN O=C([O-])Cc1ccc(NCCCCNc2cccc[nH+]2)c([N+](=O)[O-])c1 ZINC000571213865 478544302 /nfs/dbraw/zinc/54/43/02/478544302.db2.gz PKWSODVWPZYQGK-UHFFFAOYSA-N 0 2 344.371 2.921 20 5 EFBDLN O=C([O-])c1csc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000583030533 478747160 /nfs/dbraw/zinc/74/71/60/478747160.db2.gz PRTFUVMRMOFLKI-UHFFFAOYSA-N 0 2 333.369 2.914 20 5 EFBDLN O=C([O-])c1csc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000583030533 478747167 /nfs/dbraw/zinc/74/71/67/478747167.db2.gz PRTFUVMRMOFLKI-UHFFFAOYSA-N 0 2 333.369 2.914 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([C@H]2CCCCO2)CC1 ZINC000598300190 478752139 /nfs/dbraw/zinc/75/21/39/478752139.db2.gz AUIDFJBEWBUNNU-MRXNPFEDSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC([C@H]2CCCCO2)CC1 ZINC000598301636 478754150 /nfs/dbraw/zinc/75/41/50/478754150.db2.gz ZGUXHKHRWMTOMX-MRXNPFEDSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000598306212 478757100 /nfs/dbraw/zinc/75/71/00/478757100.db2.gz MVVXTNXLOHSLSA-CZUORRHYSA-N 0 2 334.372 2.722 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c(C)c1[N+](=O)[O-] ZINC000598714092 478987214 /nfs/dbraw/zinc/98/72/14/478987214.db2.gz PJSLIDSGJWVPBK-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(C)C)o2)c(C)c1[N+](=O)[O-] ZINC000598733356 478995052 /nfs/dbraw/zinc/99/50/52/478995052.db2.gz BBVBSMVZEJBXHT-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN C[C@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccc([N+](=O)[O-])c1 ZINC000584209181 479051197 /nfs/dbraw/zinc/05/11/97/479051197.db2.gz GIHCIMYMDYWSLX-VIFPVBQESA-N 0 2 334.401 2.908 20 5 EFBDLN Cc1cc(N2CC[C@H](C(=O)[O-])[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592982600 479115908 /nfs/dbraw/zinc/11/59/08/479115908.db2.gz JAGOYPPKWYLHCT-FZMZJTMJSA-N 0 2 342.355 2.660 20 5 EFBDLN CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584612189 479193262 /nfs/dbraw/zinc/19/32/62/479193262.db2.gz NEUNFOYBCCOFEV-MRVPVSSYSA-N 0 2 338.751 2.661 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2noc(C(C)C)n2)c(C)cc1[N+](=O)[O-] ZINC000556908836 479237769 /nfs/dbraw/zinc/23/77/69/479237769.db2.gz ZKSVIRHBYHZTME-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2oc(CO)cc2c1 ZINC000590597584 479665631 /nfs/dbraw/zinc/66/56/31/479665631.db2.gz GXNUHIOQHRVMQY-UHFFFAOYSA-N 0 2 348.336 2.634 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccnn2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000615565968 479694357 /nfs/dbraw/zinc/69/43/57/479694357.db2.gz RCPSCWUESDNJLV-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(F)ccc1C ZINC000619466289 479802046 /nfs/dbraw/zinc/80/20/46/479802046.db2.gz JHRFYFFYQPDBTB-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000610657387 480356477 /nfs/dbraw/zinc/35/64/77/480356477.db2.gz KHOXVXBGQLYJSA-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN Cc1c(CN(C)Cc2nc(=O)c3sccc3[nH]2)cccc1[N+](=O)[O-] ZINC000131708035 533843656 /nfs/dbraw/zinc/84/36/56/533843656.db2.gz LMIJBNBOJTYUDI-UHFFFAOYSA-N 0 2 344.396 2.833 20 5 EFBDLN CC(C)(C(=O)Nc1ccc2nn[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000342212029 534377543 /nfs/dbraw/zinc/37/75/43/534377543.db2.gz XWTUOELAMOKASW-UHFFFAOYSA-N 0 2 325.328 2.782 20 5 EFBDLN CC(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000089531717 519703980 /nfs/dbraw/zinc/70/39/80/519703980.db2.gz STBNRBIXNYZUSE-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC ZINC000059354235 522154016 /nfs/dbraw/zinc/15/40/16/522154016.db2.gz UBJUJCFTTVICBW-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(F)c1 ZINC000119663012 522982737 /nfs/dbraw/zinc/98/27/37/522982737.db2.gz GZBSLEYOTZEJPG-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN COCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000118987360 523078955 /nfs/dbraw/zinc/07/89/55/523078955.db2.gz DFPIRSYUOYCCAN-UHFFFAOYSA-N 0 2 342.398 2.912 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000068300414 525606689 /nfs/dbraw/zinc/60/66/89/525606689.db2.gz ZVMHILINRQYSIE-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000116603800 526043124 /nfs/dbraw/zinc/04/31/24/526043124.db2.gz FHNSDAILHBXAKE-UHFFFAOYSA-N 0 2 325.371 2.513 20 5 EFBDLN O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc(F)c(F)c(O)c1F ZINC000183466688 526411708 /nfs/dbraw/zinc/41/17/08/526411708.db2.gz WJFSLWZAISNAOK-UHFFFAOYSA-N 0 2 340.257 2.690 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cn1 ZINC000089541146 527131799 /nfs/dbraw/zinc/13/17/99/527131799.db2.gz VPZGVWBZFFCQSZ-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cncn1-c1ccc(F)cc1 ZINC000180763721 527131855 /nfs/dbraw/zinc/13/18/55/527131855.db2.gz HZSWNJPCZCCRTC-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1 ZINC000179094646 527377674 /nfs/dbraw/zinc/37/76/74/527377674.db2.gz KYLMPVNJVZWLHA-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN CCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000194745492 535715141 /nfs/dbraw/zinc/71/51/41/535715141.db2.gz OQZURKBTDMZKAB-UHFFFAOYSA-N 0 2 330.340 2.767 20 5 EFBDLN CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000765863519 577084027 /nfs/dbraw/zinc/08/40/27/577084027.db2.gz XLDGQCFSHXGHHZ-ZDUSSCGKSA-N 0 2 344.371 2.885 20 5 EFBDLN CC(C)Oc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000768883668 577313822 /nfs/dbraw/zinc/31/38/22/577313822.db2.gz UGQPXARNRWHRKL-UHFFFAOYSA-N 0 2 343.386 2.639 20 5 EFBDLN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1[N+](=O)[O-] ZINC000770863350 581142879 /nfs/dbraw/zinc/14/28/79/581142879.db2.gz PTDSMRDOFJEVFB-UHFFFAOYSA-N 0 2 347.283 2.860 20 5 EFBDLN O=C(NCCCOc1ccccc1F)c1ccc([N+](=O)[O-])cc1O ZINC000771959829 581264684 /nfs/dbraw/zinc/26/46/84/581264684.db2.gz ZCFHHFVMZMVFDV-UHFFFAOYSA-N 0 2 334.303 2.638 20 5 EFBDLN C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])Cn1cc[nH+]c1 ZINC000736606520 599854210 /nfs/dbraw/zinc/85/42/10/599854210.db2.gz GLKLCUPLGDUHMA-PYEVWLCESA-N 0 2 330.344 2.637 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833222276 601886604 /nfs/dbraw/zinc/88/66/04/601886604.db2.gz UECZSGIQLXKQQS-NSHDSACASA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833222276 601886605 /nfs/dbraw/zinc/88/66/05/601886605.db2.gz UECZSGIQLXKQQS-NSHDSACASA-N 0 2 330.793 2.640 20 5 EFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)ccc2F)ccc1F ZINC000008105614 1269059152 /nfs/dbraw/zinc/05/91/52/1269059152.db2.gz FKQPUUJYZGDRIP-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000804176667 1275249470 /nfs/dbraw/zinc/24/94/70/1275249470.db2.gz RYFHCTBAFQWCNS-UHFFFAOYSA-N 0 2 345.311 2.523 20 5 EFBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](O)c1ccccc1 ZINC000790401167 1277540727 /nfs/dbraw/zinc/54/07/27/1277540727.db2.gz KBIXATZCUCDKEZ-DLBZAZTESA-N 0 2 344.367 2.788 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000105780069 1285159556 /nfs/dbraw/zinc/15/95/56/1285159556.db2.gz LTYZWODLXLDVPE-UHFFFAOYSA-N 0 2 343.361 2.652 20 5 EFBDLN COc1ccc(CSCC(=O)NOCCC2CC2)cc1[N+](=O)[O-] ZINC000817429935 1288605888 /nfs/dbraw/zinc/60/58/88/1288605888.db2.gz NBEQVHCTBRKQGK-UHFFFAOYSA-N 0 2 340.401 2.685 20 5 EFBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NOC1CCOCC1 ZINC000775239915 1291665863 /nfs/dbraw/zinc/66/58/63/1291665863.db2.gz BQZLQBDJHBIHPM-UHFFFAOYSA-N 0 2 346.792 2.567 20 5 EFBDLN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766212 1292263360 /nfs/dbraw/zinc/26/33/60/1292263360.db2.gz VUAIBFUCHNMOFK-YGRLFVJLSA-N 0 2 345.321 2.799 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2O)cc([N+](=O)[O-])c1F ZINC000132469673 1293665380 /nfs/dbraw/zinc/66/53/80/1293665380.db2.gz KDQDQZRAWDGDGH-UHFFFAOYSA-N 0 2 344.295 2.688 20 5 EFBDLN COc1ccc2c(c1)C(=O)N(C)[C@@H](c1ccc([N+](=O)[O-])c(O)c1)N2 ZINC000102417699 1294210430 /nfs/dbraw/zinc/21/04/30/1294210430.db2.gz LWYQOZXYZSTFBV-HNNXBMFYSA-N 0 2 329.312 2.505 20 5 EFBDLN Cc1ccc(Br)c2c1N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC2 ZINC000841171312 1294859051 /nfs/dbraw/zinc/85/90/51/1294859051.db2.gz QSHMPWFEVSXVHT-ZYHUDNBSSA-N 0 2 339.189 2.702 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000776193727 1296893952 /nfs/dbraw/zinc/89/39/52/1296893952.db2.gz DRNLMNSNARAURR-UHFFFAOYSA-N 0 2 342.267 2.942 20 5 EFBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000083954988 1298724396 /nfs/dbraw/zinc/72/43/96/1298724396.db2.gz MOZUNZIUUHNHPD-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2F)C[C@@H]1NC(=O)C(F)(F)F ZINC000853989758 1300378893 /nfs/dbraw/zinc/37/88/93/1300378893.db2.gz RPIDKIOOWTYQFP-KCJUWKMLSA-N 0 2 349.284 2.627 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1COC(=O)c1cc(F)c(O)c(F)c1 ZINC000748483055 1313940060 /nfs/dbraw/zinc/94/00/60/1313940060.db2.gz PUBOEYASYGKOAS-UHFFFAOYSA-N 0 2 339.250 2.944 20 5 EFBDLN CC(C)(C)OC(=O)N1C[C@H](F)[C@@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225621055 1311554753 /nfs/dbraw/zinc/55/47/53/1311554753.db2.gz AIAOTYAOABYSHN-CABZTGNLSA-N 0 2 342.323 2.637 20 5 EFBDLN O=[N+]([O-])c1c(O)cccc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001225619883 1311554832 /nfs/dbraw/zinc/55/48/32/1311554832.db2.gz JLIVMYPVKSOXAX-OAHLLOKOSA-N 0 2 344.367 2.580 20 5 EFBDLN COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619772 1311555171 /nfs/dbraw/zinc/55/51/71/1311555171.db2.gz IMWKKADLQMPYDS-XQQFMLRXSA-N 0 2 343.376 2.524 20 5 EFBDLN O=[N+]([O-])c1c(O)cccc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001225619881 1311555199 /nfs/dbraw/zinc/55/51/99/1311555199.db2.gz JLIVMYPVKSOXAX-HNNXBMFYSA-N 0 2 344.367 2.580 20 5 EFBDLN CSc1nc(O[C@H](C)c2cnc3ccccn32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624739 1311833116 /nfs/dbraw/zinc/83/31/16/1311833116.db2.gz DABCBUQGITXEJT-MRVPVSSYSA-N 0 2 347.356 2.600 20 5 EFBDLN CC[C@H](COC)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685453 1311981948 /nfs/dbraw/zinc/98/19/48/1311981948.db2.gz HHKJRUTWTLDUHC-LLVKDONJSA-N 0 2 328.372 2.699 20 5 EFBDLN CCOC(=O)[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228971229 1312029614 /nfs/dbraw/zinc/02/96/14/1312029614.db2.gz MMXHUAXPXIFCKV-HNNXBMFYSA-N 0 2 333.296 2.689 20 5 EFBDLN CCCCOC[C@H](C)OC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972656 1312030290 /nfs/dbraw/zinc/03/02/90/1312030290.db2.gz BRQLPDYTMMGTDY-NWDGAFQWSA-N 0 2 343.376 2.995 20 5 EFBDLN COc1cccc(OC[C@@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228974952 1312030491 /nfs/dbraw/zinc/03/04/91/1312030491.db2.gz VZDXXUONDQXRNH-SNVBAGLBSA-N 0 2 335.312 2.861 20 5 EFBDLN O=[N+]([O-])c1c(O)cc(O)cc1OC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001228974079 1312030611 /nfs/dbraw/zinc/03/06/11/1312030611.db2.gz OOYGXSVFFMLXNH-ZDUSSCGKSA-N 0 2 344.323 2.968 20 5 EFBDLN CCCSc1nc(O[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793384 1312140506 /nfs/dbraw/zinc/14/05/06/1312140506.db2.gz ZLDHVQMYPHOIAZ-BDAKNGLRSA-N 0 2 329.378 2.539 20 5 EFBDLN CCCSc1nc(OC[C@H]2CCC=CO2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229795840 1312141247 /nfs/dbraw/zinc/14/12/47/1312141247.db2.gz HWELMFVBPHZYEG-SECBINFHSA-N 0 2 327.362 2.664 20 5 EFBDLN Cc1cc(Cl)ncc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120055465 1314767324 /nfs/dbraw/zinc/76/73/24/1314767324.db2.gz BWYKXZQRLNTQKU-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC001216681931 1314992727 /nfs/dbraw/zinc/99/27/27/1314992727.db2.gz AVHGILJKZRLZHS-UHFFFAOYSA-N 0 2 335.279 2.961 20 5 EFBDLN Cn1ncc2cc(-c3noc(-c4cc(O)ccc4[N+](=O)[O-])n3)ccc21 ZINC001216682144 1314992738 /nfs/dbraw/zinc/99/27/38/1314992738.db2.gz GYTNBLWEIKCHGF-UHFFFAOYSA-N 0 2 337.295 2.904 20 5 EFBDLN CC(=O)c1cc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)ccn1 ZINC001216682242 1314992760 /nfs/dbraw/zinc/99/27/60/1314992760.db2.gz JDYSLTBGSWPMFE-UHFFFAOYSA-N 0 2 326.268 2.615 20 5 EFBDLN CCc1cccnc1-c1noc(-c2cc(OC)c(O)c([N+](=O)[O-])c2)n1 ZINC001216839214 1315013890 /nfs/dbraw/zinc/01/38/90/1315013890.db2.gz NUSJRYPTYTXKMT-UHFFFAOYSA-N 0 2 342.311 2.983 20 5 EFBDLN COc1cnc(-c2noc(-c3c(O)cccc3[N+](=O)[O-])n2)c(C)c1 ZINC001216847189 1315015135 /nfs/dbraw/zinc/01/51/35/1315015135.db2.gz UPHWSJNBNOZMTL-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C(F)(F)F)c1 ZINC001254876383 1315753616 /nfs/dbraw/zinc/75/36/16/1315753616.db2.gz BHNZUPKAUUCNGZ-UHFFFAOYSA-N 0 2 329.234 2.910 20 5 EFBDLN CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001262902546 1316501315 /nfs/dbraw/zinc/50/13/15/1316501315.db2.gz IGDWZIKJICAUEM-CMPLNLGQSA-N 0 2 331.376 2.721 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001339794304 1332099390 /nfs/dbraw/zinc/09/93/90/1332099390.db2.gz PYUHMDLDCIYUMH-TXEJJXNPSA-N 0 2 343.387 2.671 20 5 EFBDLN O=c1nc(CN2Cc3ccc([N+](=O)[O-])cc3C2)[nH]c2ccsc21 ZINC001340801816 1332206667 /nfs/dbraw/zinc/20/66/67/1332206667.db2.gz QCVDQRCVPMFEMS-UHFFFAOYSA-N 0 2 328.353 2.821 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001341311075 1332250661 /nfs/dbraw/zinc/25/06/61/1332250661.db2.gz PDBSAWNWVXYAHJ-QWRGUYRKSA-N 0 2 331.376 2.671 20 5 EFBDLN C[C@@H]1CCCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1CC1CC1 ZINC001346839447 1332694528 /nfs/dbraw/zinc/69/45/28/1332694528.db2.gz RMYUZXQOSDFRMB-LLVKDONJSA-N 0 2 343.387 2.958 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@H](C)C1 ZINC001352925155 1333808018 /nfs/dbraw/zinc/80/80/18/1333808018.db2.gz HMLBUEYHRXXLHO-NSHDSACASA-N 0 2 331.376 2.815 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C)C1 ZINC001352925152 1333808134 /nfs/dbraw/zinc/80/81/34/1333808134.db2.gz HMLBUEYHRXXLHO-LLVKDONJSA-N 0 2 331.376 2.815 20 5 EFBDLN C[C@H]1CCCCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001355661356 1334843515 /nfs/dbraw/zinc/84/35/15/1334843515.db2.gz AXFMVFBKSHRZQA-NSHDSACASA-N 0 2 331.376 2.722 20 5 EFBDLN CCOc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120095576 712918588 /nfs/dbraw/zinc/91/85/88/712918588.db2.gz WPYMUTJZSHPZFR-UHFFFAOYSA-N 0 2 328.371 2.856 20 5 EFBDLN CC(=O)c1ccc(F)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120308904 713060141 /nfs/dbraw/zinc/06/01/41/713060141.db2.gz KJJYOLMRTQPGSO-UHFFFAOYSA-N 0 2 344.345 2.799 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000043570214 727133050 /nfs/dbraw/zinc/13/30/50/727133050.db2.gz USZSILYNPFAFEL-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1-c1cccc([N+](=O)[O-])c1 ZINC000916369934 727678697 /nfs/dbraw/zinc/67/86/97/727678697.db2.gz RSDFPLYIPNEZGF-UHFFFAOYSA-N 0 2 326.268 2.644 20 5 EFBDLN C[C@](CC(=O)[O-])([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592329097 977753105 /nfs/dbraw/zinc/75/31/05/977753105.db2.gz RALWXTJVFWBHMA-QGZVFWFLSA-N 0 2 348.330 2.919 20 5 EFBDLN CCc1oc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cc1C(=O)[O-] ZINC001597805844 989415112 /nfs/dbraw/zinc/41/51/12/989415112.db2.gz PDCJAVQPQDLNPI-UHFFFAOYSA-N 0 2 334.328 2.747 20 5 EFBDLN COc1ccsc1C[NH2+][C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599722352 991560861 /nfs/dbraw/zinc/56/08/61/991560861.db2.gz GNHBPOWINKOQAQ-HNNXBMFYSA-N 0 2 336.369 2.755 20 5 EFBDLN Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601036726 1095476018 /nfs/dbraw/zinc/47/60/18/1095476018.db2.gz NIVIHGOUBSITIH-MRXNPFEDSA-N 0 2 344.371 2.754 20 5 EFBDLN Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001601036726 1095476026 /nfs/dbraw/zinc/47/60/26/1095476026.db2.gz NIVIHGOUBSITIH-MRXNPFEDSA-N 0 2 344.371 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601875407 1095949442 /nfs/dbraw/zinc/94/94/42/1095949442.db2.gz SATMKEWWZYHTTN-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001601875407 1095949450 /nfs/dbraw/zinc/94/94/50/1095949450.db2.gz SATMKEWWZYHTTN-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN Cc1[nH]c([C@H]2CCCN2Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[nH+]c1C ZINC001607953335 1097787603 /nfs/dbraw/zinc/78/76/03/1097787603.db2.gz BWTPVGXAIQMDGF-OAHLLOKOSA-N 0 2 344.371 2.970 20 5 EFBDLN CCc1ccc(O)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000173878150 529693226 /nfs/dbraw/zinc/69/32/26/529693226.db2.gz KVMONDQPTPMMCS-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN O=C(Nc1ccc(N2CCCCC2)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436948126 304002826 /nfs/dbraw/zinc/00/28/26/304002826.db2.gz HWXAIWQCAGJHJL-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc([N+](=O)[O-])cc1O ZINC000436867833 304004367 /nfs/dbraw/zinc/00/43/67/304004367.db2.gz DZXMSCAAGJJCIN-UHFFFAOYSA-N 0 2 345.336 2.597 20 5 EFBDLN Cc1csc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)n1 ZINC000179517600 233130355 /nfs/dbraw/zinc/13/03/55/233130355.db2.gz DHVRARPKKJRSJN-ZDUSSCGKSA-N 0 2 333.369 2.946 20 5 EFBDLN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000036448982 202325825 /nfs/dbraw/zinc/32/58/25/202325825.db2.gz IVQSMUYZXBNLBQ-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000055678556 201135282 /nfs/dbraw/zinc/13/52/82/201135282.db2.gz PULSHYGCVYMALG-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN COCc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000077704797 201183152 /nfs/dbraw/zinc/18/31/52/201183152.db2.gz ORXVCBZITKTXMS-UHFFFAOYSA-N 0 2 336.369 2.850 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)c([N+](=O)[O-])c1 ZINC000071826179 201170630 /nfs/dbraw/zinc/17/06/30/201170630.db2.gz FSSRBJLJVVIAMD-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CO[C@@](C)(C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1F ZINC000192192385 240031606 /nfs/dbraw/zinc/03/16/06/240031606.db2.gz SEEHGHOFHUQWJE-MRXNPFEDSA-N 0 2 334.303 2.940 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnoc2C2CC2)cc1C ZINC000414379427 244120819 /nfs/dbraw/zinc/12/08/19/244120819.db2.gz DIKQCSSAKDVGHY-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCSC(C)(C)C1 ZINC000122831213 204889336 /nfs/dbraw/zinc/88/93/36/204889336.db2.gz NSRWOCILUZMJJQ-UHFFFAOYSA-N 0 2 325.390 2.963 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000162021061 206380928 /nfs/dbraw/zinc/38/09/28/206380928.db2.gz DJKQLMKITRXNRK-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CC[C@@H](C)n1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000442238176 250074661 /nfs/dbraw/zinc/07/46/61/250074661.db2.gz IEFNVWUNJNEVLZ-SNVBAGLBSA-N 0 2 338.389 2.872 20 5 EFBDLN COc1ccc2c(c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000442242125 250074726 /nfs/dbraw/zinc/07/47/26/250074726.db2.gz LIFCUSCAEPPNSK-UHFFFAOYSA-N 0 2 348.380 2.893 20 5 EFBDLN CCn1ncc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c(C)nc21 ZINC000442569621 250088298 /nfs/dbraw/zinc/08/82/98/250088298.db2.gz POXHLQVLPNWCDY-UHFFFAOYSA-N 0 2 341.327 2.626 20 5 EFBDLN Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007428315 210799901 /nfs/dbraw/zinc/79/99/01/210799901.db2.gz VKJXXYLKLMBRGT-UHFFFAOYSA-N 0 2 331.737 2.654 20 5 EFBDLN CCc1ccc([C@@H](COC)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)o1 ZINC000176584719 207240161 /nfs/dbraw/zinc/24/01/61/207240161.db2.gz BRSZQNATBJYFMB-GFCCVEGCSA-N 0 2 334.328 2.573 20 5 EFBDLN C[C@@H](O)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000119420481 221316196 /nfs/dbraw/zinc/31/61/96/221316196.db2.gz IPGSQKFWVWIWQX-IUODEOHRSA-N 0 2 344.367 2.585 20 5 EFBDLN COc1c(C)c[nH+]c(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000181940852 533410400 /nfs/dbraw/zinc/41/04/00/533410400.db2.gz YHKQGOWOFMDGMU-UHFFFAOYSA-N 0 2 345.355 2.593 20 5 EFBDLN COc1cc(OC)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000327603158 141504480 /nfs/dbraw/zinc/50/44/80/141504480.db2.gz ITWIPDCULGVYEC-UHFFFAOYSA-N 0 2 348.311 2.579 20 5 EFBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000343487058 142006882 /nfs/dbraw/zinc/00/68/82/142006882.db2.gz NHZVEIBAMGLZBW-SECBINFHSA-N 0 2 326.312 2.668 20 5 EFBDLN O=C(CCC(=O)c1ccc(Cl)cn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000347562468 142236523 /nfs/dbraw/zinc/23/65/23/142236523.db2.gz FLJSKOYAXJNVNP-UHFFFAOYSA-N 0 2 349.730 2.950 20 5 EFBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cc(C)c(C)n[nH]1 ZINC000343784270 145294109 /nfs/dbraw/zinc/29/41/09/145294109.db2.gz WAVCOOUUWOWKKP-UHFFFAOYSA-N 0 2 332.385 2.788 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)c1 ZINC000351623292 146161777 /nfs/dbraw/zinc/16/17/77/146161777.db2.gz UUTSTOIGOOBBEZ-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN CCCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC ZINC000352021660 146266959 /nfs/dbraw/zinc/26/69/59/146266959.db2.gz QOURBXSBKQJPEX-XQRVVYSFSA-N 0 2 347.327 2.764 20 5 EFBDLN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000356288731 147201264 /nfs/dbraw/zinc/20/12/64/147201264.db2.gz BQBNSBNTSMOMLU-JTQLQIEISA-N 0 2 344.323 2.814 20 5 EFBDLN CC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000356292856 147203149 /nfs/dbraw/zinc/20/31/49/147203149.db2.gz KAEBEGFVMOVQTN-GFCCVEGCSA-N 0 2 349.368 2.568 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(-c2ccccn2)no1 ZINC000356295484 147203675 /nfs/dbraw/zinc/20/36/75/147203675.db2.gz PWMPNJMEZKRXNB-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN O=C(NCc1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000359215152 148025229 /nfs/dbraw/zinc/02/52/29/148025229.db2.gz QRKPRUCHBDZMOW-UHFFFAOYSA-N 0 2 333.369 2.566 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(C(F)F)c2)c1[N+](=O)[O-] ZINC000359648944 148150814 /nfs/dbraw/zinc/15/08/14/148150814.db2.gz XNNCOGJUEXXVNK-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000359666389 148156863 /nfs/dbraw/zinc/15/68/63/148156863.db2.gz WTPCIJIEFQPINF-SNVBAGLBSA-N 0 2 338.389 2.872 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(c2ccccc2F)C1 ZINC000368643494 150170454 /nfs/dbraw/zinc/17/04/54/150170454.db2.gz AODSKLWLFPPZLA-NSHDSACASA-N 0 2 345.330 2.905 20 5 EFBDLN O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000184617866 265023241 /nfs/dbraw/zinc/02/32/41/265023241.db2.gz ADUWSRHOBGHDBS-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184625806 265023562 /nfs/dbraw/zinc/02/35/62/265023562.db2.gz WQOHOLJBKIOGFN-SNVBAGLBSA-N 0 2 346.314 2.831 20 5 EFBDLN CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccc(F)cc21 ZINC000184831604 265028939 /nfs/dbraw/zinc/02/89/39/265028939.db2.gz PYLIWOLIDONFSB-UHFFFAOYSA-N 0 2 331.303 2.536 20 5 EFBDLN C=CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000187775368 265116775 /nfs/dbraw/zinc/11/67/75/265116775.db2.gz DKAIQMCUGOAZCE-UHFFFAOYSA-N 0 2 345.286 2.816 20 5 EFBDLN CCc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000188123798 265124251 /nfs/dbraw/zinc/12/42/51/265124251.db2.gz FJTMXUVGPKGRAB-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN COCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)o1 ZINC000272219709 266194508 /nfs/dbraw/zinc/19/45/08/266194508.db2.gz POUJENDEPBHNIV-GFCCVEGCSA-N 0 2 334.328 2.709 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cnc3ccccc3n2)ccc1[N+](=O)[O-] ZINC000177090494 273036693 /nfs/dbraw/zinc/03/66/93/273036693.db2.gz HUZPXHYTVBPCMF-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184603986 273049458 /nfs/dbraw/zinc/04/94/58/273049458.db2.gz HYOAHRPAOXZLRY-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN Cc1cnc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)s1 ZINC000184817549 273049973 /nfs/dbraw/zinc/04/99/73/273049973.db2.gz WDXINTMJJIHOEM-CYBMUJFWSA-N 0 2 333.369 2.946 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000280066403 273286824 /nfs/dbraw/zinc/28/68/24/273286824.db2.gz ZPUIXGNNAFKYDL-UHFFFAOYSA-N 0 2 336.373 2.617 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1[N+](=O)[O-] ZINC000284187432 273807753 /nfs/dbraw/zinc/80/77/53/273807753.db2.gz UNWPJDDDQDDAFC-UHFFFAOYSA-N 0 2 339.373 2.990 20 5 EFBDLN CN1CCCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000182774682 289934476 /nfs/dbraw/zinc/93/44/76/289934476.db2.gz HCYBKQROTUQUST-UHFFFAOYSA-N 0 2 327.340 2.787 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccccc2[nH]1 ZINC000126408413 293037944 /nfs/dbraw/zinc/03/79/44/293037944.db2.gz ZSPWZTABHHQHRI-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN CCCNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000131235805 293191325 /nfs/dbraw/zinc/19/13/25/293191325.db2.gz KPNYJKMOCWJJJG-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN O=C(NCCC1Cc2ccccc2C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000152330989 293329355 /nfs/dbraw/zinc/32/93/55/293329355.db2.gz ZOLCQOACXYFNQZ-UHFFFAOYSA-N 0 2 326.352 2.835 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000152654348 293343986 /nfs/dbraw/zinc/34/39/86/293343986.db2.gz MQFHWLMDTTVMBT-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1 ZINC000154024454 293406011 /nfs/dbraw/zinc/40/60/11/293406011.db2.gz ZDQGDHZRKWORFY-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CC2)ccn1 ZINC000290940460 294226041 /nfs/dbraw/zinc/22/60/41/294226041.db2.gz LJAHRCOHSDBYDF-UHFFFAOYSA-N 0 2 333.369 2.976 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000291390735 294367784 /nfs/dbraw/zinc/36/77/84/294367784.db2.gz GKWIWPLVCSMNEH-UHFFFAOYSA-N 0 2 347.293 2.553 20 5 EFBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1c1cccnc1 ZINC000293667801 295023633 /nfs/dbraw/zinc/02/36/33/295023633.db2.gz GESJYHDHHZPHSY-HNNXBMFYSA-N 0 2 327.340 2.919 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000186429995 304531260 /nfs/dbraw/zinc/53/12/60/304531260.db2.gz QTTZTSBTHUTQSF-GOSISDBHSA-N 0 2 340.335 2.572 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000184633745 304533722 /nfs/dbraw/zinc/53/37/22/304533722.db2.gz SGKIDGYQFVTDPX-MRXNPFEDSA-N 0 2 346.314 2.653 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436744786 300646297 /nfs/dbraw/zinc/64/62/97/300646297.db2.gz PSHNOUJRRUSXSX-ANRSDYALSA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3n[nH]cc3c2)c1[N+](=O)[O-] ZINC000189246869 301558553 /nfs/dbraw/zinc/55/85/53/301558553.db2.gz FNJIBLJLOXQSTD-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCO1 ZINC000373479730 302154251 /nfs/dbraw/zinc/15/42/51/302154251.db2.gz KEWJACZZIMKKQO-KRWDZBQOSA-N 0 2 342.351 2.823 20 5 EFBDLN Cc1nn(C)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc12 ZINC000436641233 302788934 /nfs/dbraw/zinc/78/89/34/302788934.db2.gz MHIXATNAWAZQOS-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN Cn1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2c1cccc2F ZINC000345210628 302896842 /nfs/dbraw/zinc/89/68/42/302896842.db2.gz WZSUTGGYAXJEOW-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN O=C(NC[C@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1O ZINC000436530364 303804324 /nfs/dbraw/zinc/80/43/24/303804324.db2.gz BTOUDVSFUHQCSY-CYBMUJFWSA-N 0 2 334.372 2.912 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc([C@H]3COc4ccccc4O3)no2)cc1O ZINC000350861786 304801631 /nfs/dbraw/zinc/80/16/31/304801631.db2.gz GHEKMYFMOYVQAS-CQSZACIVSA-N 0 2 341.279 2.863 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(C(F)(F)F)cc2)[nH]1 ZINC000033471617 304814299 /nfs/dbraw/zinc/81/42/99/304814299.db2.gz DWZDSROOLHIPKM-UTCJRWHESA-N 0 2 327.218 2.573 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000299321477 311072535 /nfs/dbraw/zinc/07/25/35/311072535.db2.gz MTJXBXYQXZLZLU-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN COc1ccc(O[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436982344 312606001 /nfs/dbraw/zinc/60/60/01/312606001.db2.gz UANPEHLYYYVDKN-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3CC3)nn2)cc1[N+](=O)[O-] ZINC000446971288 312663804 /nfs/dbraw/zinc/66/38/04/312663804.db2.gz DWZWHSVMVOWAFJ-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc(C3CC3)nn2)c1 ZINC000446972722 312663988 /nfs/dbraw/zinc/66/39/88/312663988.db2.gz NPSDNJLMXDPFAV-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCC3CC3)cc2)[nH]1 ZINC000453029971 312848657 /nfs/dbraw/zinc/84/86/57/312848657.db2.gz SRBPRYWNXUINCI-YVMONPNESA-N 0 2 329.312 2.755 20 5 EFBDLN COC(=O)N(C)c1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000494714316 314628269 /nfs/dbraw/zinc/62/82/69/314628269.db2.gz ZIRAYWMIUKWHFK-UHFFFAOYSA-N 0 2 345.311 2.755 20 5 EFBDLN O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000495281518 314694973 /nfs/dbraw/zinc/69/49/73/314694973.db2.gz NXEGOMBTSIJEBS-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000496593785 315123861 /nfs/dbraw/zinc/12/38/61/315123861.db2.gz DGECQPQJAGGUTF-GMTAPVOTSA-N 0 2 340.380 2.814 20 5 EFBDLN CCOC(=O)c1cnc(C(C)=Cc2ccc([N+](=O)[O-])c(O)c2)[nH]c1=O ZINC000516227453 315664209 /nfs/dbraw/zinc/66/42/09/315664209.db2.gz TZFNFWIBGZZMSU-TWGQIWQCSA-N 0 2 345.311 2.533 20 5 EFBDLN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc([N+](=O)[O-])c(O)c1 ZINC000522705179 316098019 /nfs/dbraw/zinc/09/80/19/316098019.db2.gz VXIGZIYLNGNCFT-INIZCTEOSA-N 0 2 343.339 2.513 20 5 EFBDLN CC(C)n1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000550868223 318198508 /nfs/dbraw/zinc/19/85/08/318198508.db2.gz RVHOTCWWQDDVDX-UHFFFAOYSA-N 0 2 344.780 2.826 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2c[nH]nc2C2CC2)c1[N+](=O)[O-] ZINC000563432128 318784393 /nfs/dbraw/zinc/78/43/93/318784393.db2.gz KOJMRPILFSCPJM-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000564972585 318916656 /nfs/dbraw/zinc/91/66/56/318916656.db2.gz JNUYORREKRNGBU-UHFFFAOYSA-N 0 2 325.346 2.508 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000577485823 320115337 /nfs/dbraw/zinc/11/53/37/320115337.db2.gz GQHQCRWCJZJDHE-INIZCTEOSA-N 0 2 346.383 2.722 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000578351602 320198216 /nfs/dbraw/zinc/19/82/16/320198216.db2.gz INTFNWDXTDSYLA-MRXNPFEDSA-N 0 2 346.383 2.722 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000296695766 323583497 /nfs/dbraw/zinc/58/34/97/323583497.db2.gz KJMAYVXIMLIBAL-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2CC2)nn1 ZINC000582280728 324558354 /nfs/dbraw/zinc/55/83/54/324558354.db2.gz AFQLNOWSRZTHEX-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000070825505 463387113 /nfs/dbraw/zinc/38/71/13/463387113.db2.gz UHXRJWCQXKGOMC-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN C[C@H](O)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000184868043 473258915 /nfs/dbraw/zinc/25/89/15/473258915.db2.gz TWESWYRGOQXUDR-GXTWGEPZSA-N 0 2 344.367 2.585 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1COc2ccccc21 ZINC000184891823 473264725 /nfs/dbraw/zinc/26/47/25/473264725.db2.gz ZWRWAULHPBQRIU-QMTHXVAHSA-N 0 2 328.324 2.595 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000184957302 473283862 /nfs/dbraw/zinc/28/38/62/473283862.db2.gz HEDBXMREUMKQRL-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000083956097 473376667 /nfs/dbraw/zinc/37/66/67/473376667.db2.gz NAOLLDXHLJHJHX-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN CCc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000000560016 471371163 /nfs/dbraw/zinc/37/11/63/471371163.db2.gz AFONTUOCAPEZBB-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000007054239 471587417 /nfs/dbraw/zinc/58/74/17/471587417.db2.gz WYKAVSVZPFKSIO-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN CC(C)c1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000034658634 471990572 /nfs/dbraw/zinc/99/05/72/471990572.db2.gz OLPPHPMSXBTKPI-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC ZINC000067116658 471994439 /nfs/dbraw/zinc/99/44/39/471994439.db2.gz FLOQNNVNLIJPKQ-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000025665082 472106841 /nfs/dbraw/zinc/10/68/41/472106841.db2.gz YMRMRMLIOKRSLZ-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN Cc1cccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1[N+](=O)[O-] ZINC000068298192 472166350 /nfs/dbraw/zinc/16/63/50/472166350.db2.gz DWFRWXJHXUGHDP-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)cc1 ZINC000043998213 472278144 /nfs/dbraw/zinc/27/81/44/472278144.db2.gz XDOWWDVBYYXZBG-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000031309984 472372817 /nfs/dbraw/zinc/37/28/17/472372817.db2.gz YTBUKVFQICHZJK-SNVBAGLBSA-N 0 2 343.339 2.750 20 5 EFBDLN O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000097112447 472453127 /nfs/dbraw/zinc/45/31/27/472453127.db2.gz HKJJPPZLYSLKNG-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1noc(C)c1CSCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531285 472456732 /nfs/dbraw/zinc/45/67/32/472456732.db2.gz CBSJAFNPCADJDU-UHFFFAOYSA-N 0 2 337.357 2.777 20 5 EFBDLN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531508 472457462 /nfs/dbraw/zinc/45/74/62/472457462.db2.gz ABCVPDYMWYAZQQ-CYBMUJFWSA-N 0 2 349.387 2.666 20 5 EFBDLN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531115 472457722 /nfs/dbraw/zinc/45/77/22/472457722.db2.gz HEGYAQDNLHHDFU-UHFFFAOYSA-N 0 2 340.286 2.690 20 5 EFBDLN O=C(NC1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000097152470 472465752 /nfs/dbraw/zinc/46/57/52/472465752.db2.gz HQRXTYVWDUCJDK-UHFFFAOYSA-N 0 2 341.367 2.699 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000097148303 472466542 /nfs/dbraw/zinc/46/65/42/472466542.db2.gz JWKGHIDRQJOWDQ-UHFFFAOYSA-N 0 2 338.370 2.642 20 5 EFBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000057753382 472472496 /nfs/dbraw/zinc/47/24/96/472472496.db2.gz IJBRFTBUPZRPOQ-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN Cc1[nH+]c2cc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)ccc2n1C ZINC000119096867 472526714 /nfs/dbraw/zinc/52/67/14/472526714.db2.gz MPLMUAYJJQLROI-UHFFFAOYSA-N 0 2 326.312 2.748 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1[N+](=O)[O-] ZINC000119253689 472541119 /nfs/dbraw/zinc/54/11/19/472541119.db2.gz VIDGNLIGRXBSAY-UHFFFAOYSA-N 0 2 328.371 2.780 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)c(C)c2)c([N+](=O)[O-])c1 ZINC000103060736 472607398 /nfs/dbraw/zinc/60/73/98/472607398.db2.gz ZXZUXIFBGLXROK-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000047312912 472688350 /nfs/dbraw/zinc/68/83/50/472688350.db2.gz NGXNWISJXWDKQJ-UHFFFAOYSA-N 0 2 334.353 2.907 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000091054461 472688458 /nfs/dbraw/zinc/68/84/58/472688458.db2.gz ZSVYDULGDVPYJK-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN COc1ccccc1[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000133303526 472790308 /nfs/dbraw/zinc/79/03/08/472790308.db2.gz OHRPBMZXEZXVDA-ZDUSSCGKSA-N 0 2 342.351 2.939 20 5 EFBDLN Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000121087542 472794989 /nfs/dbraw/zinc/79/49/89/472794989.db2.gz SNBMKNZVTOSCKR-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN COCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000065124567 472900314 /nfs/dbraw/zinc/90/03/14/472900314.db2.gz GMXWGYHPTWCSQN-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1COc2ccc(F)cc2C1 ZINC000092549134 472933874 /nfs/dbraw/zinc/93/38/74/472933874.db2.gz IDNGUBUCMSUHQH-JTQLQIEISA-N 0 2 332.287 2.629 20 5 EFBDLN Cc1nc(-c2cccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c2)n[nH]1 ZINC000092546570 472933899 /nfs/dbraw/zinc/93/38/99/472933899.db2.gz AMXDCFPLLZMBEJ-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000134761713 472963124 /nfs/dbraw/zinc/96/31/24/472963124.db2.gz YPXMWXBZWIVXAK-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000122528616 473025696 /nfs/dbraw/zinc/02/56/96/473025696.db2.gz JMQFZUAAFFPFDC-HNNXBMFYSA-N 0 2 344.367 2.714 20 5 EFBDLN O=C(NCCc1cc2ccccc2[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000159559093 473038493 /nfs/dbraw/zinc/03/84/93/473038493.db2.gz UNEHORIYHQYKNQ-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000135520582 473086013 /nfs/dbraw/zinc/08/60/13/473086013.db2.gz XCXWLFOPICOHEA-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160261453 473102003 /nfs/dbraw/zinc/10/20/03/473102003.db2.gz ZOTZHHXRHHLKDW-UHFFFAOYSA-N 0 2 341.323 2.828 20 5 EFBDLN Cc1c(NS(=O)(=O)c2cccc(F)c2F)cccc1[N+](=O)[O-] ZINC000135676203 473105560 /nfs/dbraw/zinc/10/55/60/473105560.db2.gz SAVKERMUTKOVAM-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CCc1ncsc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000123679341 473172435 /nfs/dbraw/zinc/17/24/35/473172435.db2.gz URJLSQOSDBHMLX-UHFFFAOYSA-N 0 2 344.356 2.651 20 5 EFBDLN Cc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185627706 473472143 /nfs/dbraw/zinc/47/21/43/473472143.db2.gz DDDYOISXYYPRRZ-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164175775 473480838 /nfs/dbraw/zinc/48/08/38/473480838.db2.gz XYVWLHNIVICYAE-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN COCCNc1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000191230259 473513121 /nfs/dbraw/zinc/51/31/21/473513121.db2.gz JYQZJHGBWTYOEJ-UHFFFAOYSA-N 0 2 331.328 2.611 20 5 EFBDLN COC[C@@H](Cc1ccccc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000191418565 473536832 /nfs/dbraw/zinc/53/68/32/473536832.db2.gz KFLGSAFIESXBQQ-OAHLLOKOSA-N 0 2 344.367 2.630 20 5 EFBDLN Cc1ccccc1OCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179399626 473684569 /nfs/dbraw/zinc/68/45/69/473684569.db2.gz ALBNQKZLLUULCM-UHFFFAOYSA-N 0 2 330.340 2.760 20 5 EFBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179442700 473687711 /nfs/dbraw/zinc/68/77/11/473687711.db2.gz GSIOTIBHIBUCCO-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN CCc1ccc([C@@H](COC)NC(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000179515949 473692090 /nfs/dbraw/zinc/69/20/90/473692090.db2.gz RDRXTPFOOQEFJF-CYBMUJFWSA-N 0 2 334.328 2.573 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000172904718 473700507 /nfs/dbraw/zinc/70/05/07/473700507.db2.gz BWGAZZMGZNKNRG-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cc(N(C)C[C@H](C)C(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000263555888 473774880 /nfs/dbraw/zinc/77/48/80/473774880.db2.gz OGJSKSPACUAFDE-JTQLQIEISA-N 0 2 330.344 2.517 20 5 EFBDLN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C ZINC000193715091 473802915 /nfs/dbraw/zinc/80/29/15/473802915.db2.gz LTTFFQKFXJKFAP-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN CSc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000187030091 473805184 /nfs/dbraw/zinc/80/51/84/473805184.db2.gz QGQMOQMURQDJTL-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN CCSc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccn1 ZINC000187043613 473807047 /nfs/dbraw/zinc/80/70/47/473807047.db2.gz KRFNWNLUMBOKQL-UHFFFAOYSA-N 0 2 333.369 2.737 20 5 EFBDLN CC(C)Oc1ncccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000194195954 473857640 /nfs/dbraw/zinc/85/76/40/473857640.db2.gz PDOORUUXYADRRV-UHFFFAOYSA-N 0 2 337.357 2.578 20 5 EFBDLN O=C(Nc1cc(C(F)(F)F)ccn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000180602124 473916413 /nfs/dbraw/zinc/91/64/13/473916413.db2.gz UIZGFZCQGIMILG-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])s1 ZINC000174021259 473974108 /nfs/dbraw/zinc/97/41/08/473974108.db2.gz DUCWSWZGICFJQA-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=C(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000274879538 473998906 /nfs/dbraw/zinc/99/89/06/473998906.db2.gz ZADJSLFUUNDSHO-NSHDSACASA-N 0 2 344.323 2.771 20 5 EFBDLN CN(CCCOc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181881182 474067344 /nfs/dbraw/zinc/06/73/44/474067344.db2.gz BUEMBIOZKFSLDY-UHFFFAOYSA-N 0 2 348.330 2.981 20 5 EFBDLN COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000181925709 474071501 /nfs/dbraw/zinc/07/15/01/474071501.db2.gz WHNJIELWTKSMAT-UHFFFAOYSA-N 0 2 328.324 2.508 20 5 EFBDLN CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccnc1 ZINC000182087752 474097489 /nfs/dbraw/zinc/09/74/89/474097489.db2.gz ZEZQPMGVKSIHEA-HNNXBMFYSA-N 0 2 329.356 2.865 20 5 EFBDLN CN(C)c1cccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000182135269 474107242 /nfs/dbraw/zinc/10/72/42/474107242.db2.gz ACXCTMIVEFGVDE-UHFFFAOYSA-N 0 2 329.356 2.639 20 5 EFBDLN C[C@@H](CC(=O)c1cccs1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182149597 474109247 /nfs/dbraw/zinc/10/92/47/474109247.db2.gz ZAKVBCOZDQXICD-VIFPVBQESA-N 0 2 334.353 2.753 20 5 EFBDLN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182150590 474109476 /nfs/dbraw/zinc/10/94/76/474109476.db2.gz RUAAEZCOMJAOAB-ZANVPECISA-N 0 2 336.369 2.604 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2c3ccccc3[nH]c2C1 ZINC000182164910 474112360 /nfs/dbraw/zinc/11/23/60/474112360.db2.gz FDVUXVLGQDFFAP-UHFFFAOYSA-N 0 2 337.335 2.980 20 5 EFBDLN CC(C)(C)OCc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000188576070 474131144 /nfs/dbraw/zinc/13/11/44/474131144.db2.gz AQMHXJBYHWYCGP-UHFFFAOYSA-N 0 2 349.343 2.534 20 5 EFBDLN Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000182711032 474239432 /nfs/dbraw/zinc/23/94/32/474239432.db2.gz QXSXLVQIFBIUKS-XMMPIXPASA-N 0 2 348.380 2.740 20 5 EFBDLN CC(=O)SCCCCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000276423117 474538260 /nfs/dbraw/zinc/53/82/60/474538260.db2.gz SUNDGRZKLLMDEF-UHFFFAOYSA-N 0 2 340.401 2.870 20 5 EFBDLN COc1ccc([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cc1 ZINC000184600671 474561404 /nfs/dbraw/zinc/56/14/04/474561404.db2.gz MIPUFUZEDROQSG-CYBMUJFWSA-N 0 2 342.351 2.939 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000190188033 474562454 /nfs/dbraw/zinc/56/24/54/474562454.db2.gz JBKXNECQZDTVDD-GUYCJALGSA-N 0 2 342.351 2.808 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000284075284 474564654 /nfs/dbraw/zinc/56/46/54/474564654.db2.gz MYZDADIRCCIIDK-UHFFFAOYSA-N 0 2 339.373 2.990 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC000184776973 474604899 /nfs/dbraw/zinc/60/48/99/474604899.db2.gz YLZDVFVCWMWQPQ-UHFFFAOYSA-N 0 2 340.343 2.607 20 5 EFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1cncc(F)c1 ZINC000337317260 474889701 /nfs/dbraw/zinc/88/97/01/474889701.db2.gz YSLORDYIJWRJBO-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN O=C(Nc1ccc(-n2cccn2)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000341074911 474945546 /nfs/dbraw/zinc/94/55/46/474945546.db2.gz RLLKYKHTPFRWGN-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(Nc1cccnc1N1CCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000613894504 480141626 /nfs/dbraw/zinc/14/16/26/480141626.db2.gz CTXQALDMNIPRJL-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n[nH]1 ZINC000268472985 475001736 /nfs/dbraw/zinc/00/17/36/475001736.db2.gz IRGMMJPOTMEVTR-UHFFFAOYSA-N 0 2 336.373 2.559 20 5 EFBDLN CC(C)(C(=O)NOCc1cccnc1)c1ccc([N+](=O)[O-])cc1F ZINC000273861966 475089008 /nfs/dbraw/zinc/08/90/08/475089008.db2.gz NWSMWUCKTRQIQV-UHFFFAOYSA-N 0 2 333.319 2.655 20 5 EFBDLN CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000281152503 475092211 /nfs/dbraw/zinc/09/22/11/475092211.db2.gz VGLWMVOAUKPKOA-LSDHHAIUSA-N 0 2 342.351 2.985 20 5 EFBDLN COc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613925467 480148201 /nfs/dbraw/zinc/14/82/01/480148201.db2.gz QDACDBOLBMRIKZ-CYBMUJFWSA-N 0 2 344.323 2.563 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000292660599 475140268 /nfs/dbraw/zinc/14/02/68/475140268.db2.gz LLWJKBCJCVNQAB-AWEZNQCLSA-N 0 2 346.339 2.715 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000337851689 475377146 /nfs/dbraw/zinc/37/71/46/475377146.db2.gz JNAKEBWZHRPRSK-UHFFFAOYSA-N 0 2 331.737 2.599 20 5 EFBDLN O=C(NCCCSc1ccccn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000352591697 475443117 /nfs/dbraw/zinc/44/31/17/475443117.db2.gz ZSKMWUZXVBLIMH-UHFFFAOYSA-N 0 2 333.369 2.608 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC000296776574 475472185 /nfs/dbraw/zinc/47/21/85/475472185.db2.gz RSXLENPCQYJMEI-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN Cc1nc([C@@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000355172493 475717025 /nfs/dbraw/zinc/71/70/25/475717025.db2.gz OLGRDYSRTOUTBY-IJVDHGTGSA-N 0 2 327.388 2.914 20 5 EFBDLN Cc1nc([C@@H]2CCC[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000355172493 475717032 /nfs/dbraw/zinc/71/70/32/475717032.db2.gz OLGRDYSRTOUTBY-IJVDHGTGSA-N 0 2 327.388 2.914 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cccc3c2CCO3)cc1[N+](=O)[O-] ZINC000358492551 475721832 /nfs/dbraw/zinc/72/18/32/475721832.db2.gz CPYXZPYVSQZFEY-UHFFFAOYSA-N 0 2 340.382 2.700 20 5 EFBDLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000358495605 475724069 /nfs/dbraw/zinc/72/40/69/475724069.db2.gz JRODDFWUSYLBKI-JTQLQIEISA-N 0 2 336.373 2.699 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2CCO3)c([N+](=O)[O-])c1 ZINC000358499376 475727638 /nfs/dbraw/zinc/72/76/38/475727638.db2.gz XFMZNLYQLUBOOS-UHFFFAOYSA-N 0 2 334.353 2.639 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000358504544 475733612 /nfs/dbraw/zinc/73/36/12/475733612.db2.gz SBLQQDGIMMKKRS-UHFFFAOYSA-N 0 2 334.353 2.639 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000358798781 475947229 /nfs/dbraw/zinc/94/72/29/475947229.db2.gz IIPSXBAJAGBUAG-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)c([N+](=O)[O-])c1 ZINC000358799540 475948663 /nfs/dbraw/zinc/94/86/63/475948663.db2.gz MRSLYHKKLQCPMR-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000340367800 475983501 /nfs/dbraw/zinc/98/35/01/475983501.db2.gz VQDSURBXICIVRD-UHFFFAOYSA-N 0 2 339.373 2.990 20 5 EFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccsc1 ZINC000350145954 476067006 /nfs/dbraw/zinc/06/70/06/476067006.db2.gz YZACPBHNYHJMHW-UHFFFAOYSA-N 0 2 328.371 2.604 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000336860684 476144579 /nfs/dbraw/zinc/14/45/79/476144579.db2.gz UGDSZFCQSUGOSR-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000359422012 476232284 /nfs/dbraw/zinc/23/22/84/476232284.db2.gz YPUMPAZBJGUUER-LLVKDONJSA-N 0 2 335.385 2.726 20 5 EFBDLN O=C1Cc2cc(-c3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)ccc2N1 ZINC000350634920 476275232 /nfs/dbraw/zinc/27/52/32/476275232.db2.gz GAXUKZJGFYPJOA-UHFFFAOYSA-N 0 2 338.279 2.512 20 5 EFBDLN Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000353891206 476315105 /nfs/dbraw/zinc/31/51/05/476315105.db2.gz QGJMZVHVBSXDOX-UHFFFAOYSA-N 0 2 325.683 2.927 20 5 EFBDLN CCc1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000360802873 476398730 /nfs/dbraw/zinc/39/87/30/476398730.db2.gz QSIDIIRLKVWSFI-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(Cn3cnc4ccccc43)no2)cc1O ZINC000357478207 476406545 /nfs/dbraw/zinc/40/65/45/476406545.db2.gz FNFQNRJZJNZNDO-UHFFFAOYSA-N 0 2 337.295 2.748 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000360853114 476429672 /nfs/dbraw/zinc/42/96/72/476429672.db2.gz AGUNZMACKKVIRQ-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COCCOCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000362962692 476504831 /nfs/dbraw/zinc/50/48/31/476504831.db2.gz FVUWYRPCAOOWDS-UHFFFAOYSA-N 0 2 346.339 2.716 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(OC(F)F)cn1 ZINC000357648608 476513551 /nfs/dbraw/zinc/51/35/51/476513551.db2.gz DYWIAPXYPQDGSD-UHFFFAOYSA-N 0 2 325.227 2.549 20 5 EFBDLN COc1ccccc1O[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357651913 476515474 /nfs/dbraw/zinc/51/54/74/476515474.db2.gz INATZVKZAKNHER-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(NC1CCC2(CCOCC2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000364977447 476553747 /nfs/dbraw/zinc/55/37/47/476553747.db2.gz GWBIDNPQTYWLDP-UHFFFAOYSA-N 0 2 334.372 2.770 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncccc1CC ZINC000443413200 476714884 /nfs/dbraw/zinc/71/48/84/476714884.db2.gz YORCCFXKVBGTIH-UHFFFAOYSA-N 0 2 335.385 2.915 20 5 EFBDLN CC(C)(C)c1cc(CS(=O)(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000430985197 476958037 /nfs/dbraw/zinc/95/80/37/476958037.db2.gz SSINMQSFFAAVAW-UHFFFAOYSA-N 0 2 339.373 2.822 20 5 EFBDLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000408515779 476958454 /nfs/dbraw/zinc/95/84/54/476958454.db2.gz HZODIRVXRBGIFR-SNVBAGLBSA-N 0 2 338.389 2.872 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(F)(c2cccnc2)CC1 ZINC000375908499 477076317 /nfs/dbraw/zinc/07/63/17/477076317.db2.gz BZXDMKMNJRGZFX-UHFFFAOYSA-N 0 2 345.330 2.796 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc3c(c2)OCCCCO3)[nH]1 ZINC000453032580 477148993 /nfs/dbraw/zinc/14/89/93/477148993.db2.gz XIKQFSOWHWRRSA-HWKANZROSA-N 0 2 345.311 2.518 20 5 EFBDLN Nc1cccc(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000424030331 477266080 /nfs/dbraw/zinc/26/60/80/477266080.db2.gz FMTNVZAYSRULRM-UHFFFAOYSA-N 0 2 341.367 2.902 20 5 EFBDLN CC(C)(NC(=O)N=c1ccc(C2CC2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000433257721 477321554 /nfs/dbraw/zinc/32/15/54/477321554.db2.gz DKDRMKQLJGDZHF-UHFFFAOYSA-N 0 2 341.371 2.741 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC=C(c2ccccc2F)C1 ZINC000371587625 477398857 /nfs/dbraw/zinc/39/88/57/477398857.db2.gz FMYZOXDQWDZUBU-UHFFFAOYSA-N 0 2 328.299 2.979 20 5 EFBDLN CSc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436021470 477409171 /nfs/dbraw/zinc/40/91/71/477409171.db2.gz OSTYGKQRCMJQLD-UHFFFAOYSA-N 0 2 340.382 2.823 20 5 EFBDLN COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1NC(C)=O ZINC000436632510 477539391 /nfs/dbraw/zinc/53/93/91/477539391.db2.gz AZYHEHMISWOVCR-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN O=C(NCc1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])ccc1O ZINC000436653027 477548395 /nfs/dbraw/zinc/54/83/95/477548395.db2.gz BVFOFPPGGNDYJZ-UHFFFAOYSA-N 0 2 326.230 2.648 20 5 EFBDLN O=C(NCC1(c2ccc(F)cc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436674955 477553131 /nfs/dbraw/zinc/55/31/31/477553131.db2.gz SALDDIJQGMMYFR-UHFFFAOYSA-N 0 2 330.315 2.901 20 5 EFBDLN CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670677 477553434 /nfs/dbraw/zinc/55/34/34/477553434.db2.gz RXWLEUHCGQLNJB-ABAIWWIYSA-N 0 2 336.388 2.872 20 5 EFBDLN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436674559 477553919 /nfs/dbraw/zinc/55/39/19/477553919.db2.gz QAYSASRBWUIEEK-UHFFFAOYSA-N 0 2 344.323 2.691 20 5 EFBDLN Cc1cccnc1C(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436817011 477598821 /nfs/dbraw/zinc/59/88/21/477598821.db2.gz VZJDGCHRBMDHEM-UHFFFAOYSA-N 0 2 329.356 2.711 20 5 EFBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)Cc2ccccc2O1 ZINC000436816940 477599330 /nfs/dbraw/zinc/59/93/30/477599330.db2.gz UXYHLGLFTGNJKU-NSHDSACASA-N 0 2 328.324 2.724 20 5 EFBDLN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(OC)c1C ZINC000436858715 477614612 /nfs/dbraw/zinc/61/46/12/477614612.db2.gz VHTCIDPMEKYERW-UHFFFAOYSA-N 0 2 332.312 2.878 20 5 EFBDLN COc1cc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000436866933 477618310 /nfs/dbraw/zinc/61/83/10/477618310.db2.gz BHRYRUYQUGSLQV-UHFFFAOYSA-N 0 2 336.275 2.709 20 5 EFBDLN O=C(N[C@@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436867309 477619394 /nfs/dbraw/zinc/61/93/94/477619394.db2.gz BQJJDBPHNCYTIS-CQSZACIVSA-N 0 2 328.324 2.944 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1cccc(F)c1 ZINC000436871398 477620524 /nfs/dbraw/zinc/62/05/24/477620524.db2.gz SIJDJPFSKIXTGG-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN COCCCOc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436875695 477621629 /nfs/dbraw/zinc/62/16/29/477621629.db2.gz YMSBCDUZBNXVRS-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000436886016 477625264 /nfs/dbraw/zinc/62/52/64/477625264.db2.gz JBKXNECQZDTVDD-CXAGYDPISA-N 0 2 342.351 2.808 20 5 EFBDLN CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436886513 477625932 /nfs/dbraw/zinc/62/59/32/477625932.db2.gz SIIXHUFIELWNHH-UHFFFAOYSA-N 0 2 326.312 2.922 20 5 EFBDLN CCCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)n1 ZINC000436891522 477626970 /nfs/dbraw/zinc/62/69/70/477626970.db2.gz JAEGGGYRRXEDEQ-UHFFFAOYSA-N 0 2 332.360 2.535 20 5 EFBDLN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436959254 477649042 /nfs/dbraw/zinc/64/90/42/477649042.db2.gz MIFBONBUEPVUHP-QFYYESIMSA-N 0 2 348.330 2.946 20 5 EFBDLN CCc1nc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)sc1C ZINC000436961131 477649145 /nfs/dbraw/zinc/64/91/45/477649145.db2.gz JEOBWTSAMNZPQJ-UHFFFAOYSA-N 0 2 335.385 2.600 20 5 EFBDLN CCCCn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)n1 ZINC000436962430 477649441 /nfs/dbraw/zinc/64/94/41/477649441.db2.gz XCVIIHWEQBVIIW-UHFFFAOYSA-N 0 2 332.360 2.535 20 5 EFBDLN CCCCCn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c(C)n1 ZINC000436959591 477649747 /nfs/dbraw/zinc/64/97/47/477649747.db2.gz MYQMZOJDJDTSJD-UHFFFAOYSA-N 0 2 346.387 2.926 20 5 EFBDLN C[C@H](COc1cccc(F)c1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436963636 477650281 /nfs/dbraw/zinc/65/02/81/477650281.db2.gz DTUHKIZIYFOZTO-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN COc1ccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436965088 477651482 /nfs/dbraw/zinc/65/14/82/477651482.db2.gz JZLIYMPARBLOLU-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN CCC1(CC)[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H]1OC ZINC000436963890 477651595 /nfs/dbraw/zinc/65/15/95/477651595.db2.gz DXJVMFGFQXDOPR-CABCVRRESA-N 0 2 336.388 2.966 20 5 EFBDLN O=C(NCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000436964922 477651649 /nfs/dbraw/zinc/65/16/49/477651649.db2.gz JDPKGVBLBHGMED-UHFFFAOYSA-N 0 2 333.369 2.566 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](Oc2ccccc2)C1 ZINC000372248385 477713378 /nfs/dbraw/zinc/71/33/78/477713378.db2.gz RLJBHOXVDGPKIS-OAHLLOKOSA-N 0 2 342.351 2.984 20 5 EFBDLN CSc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000437526901 477715123 /nfs/dbraw/zinc/71/51/23/477715123.db2.gz JZKCYXLQLNBEFG-UHFFFAOYSA-N 0 2 332.381 2.995 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1C ZINC000438226522 477811112 /nfs/dbraw/zinc/81/11/12/477811112.db2.gz PFKASZYBEICHFO-UHFFFAOYSA-N 0 2 338.389 2.552 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000516063355 477884978 /nfs/dbraw/zinc/88/49/78/477884978.db2.gz OXYSYQQINDBRAE-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2c(F)ccc(F)c2C1 ZINC000439142174 477935922 /nfs/dbraw/zinc/93/59/22/477935922.db2.gz QPDADDNBOGNVJP-UHFFFAOYSA-N 0 2 334.278 2.777 20 5 EFBDLN Cc1ccc2[nH+]c(CNc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cn2c1 ZINC000559691118 477997045 /nfs/dbraw/zinc/99/70/45/477997045.db2.gz UUHUYTHVXVTULB-UHFFFAOYSA-N 0 2 326.312 2.861 20 5 EFBDLN CCOc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000516875859 478003380 /nfs/dbraw/zinc/00/33/80/478003380.db2.gz YLIQGMUKNFWZLQ-AWEZNQCLSA-N 0 2 330.388 2.717 20 5 EFBDLN O=C(Nc1nnc(CC(F)(F)F)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000488690868 478170901 /nfs/dbraw/zinc/17/09/01/478170901.db2.gz XUWITAJPMNPMRF-UHFFFAOYSA-N 0 2 348.262 2.509 20 5 EFBDLN O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000495577272 478235682 /nfs/dbraw/zinc/23/56/82/478235682.db2.gz DBKFRHNFFFPVTA-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000594721394 478513379 /nfs/dbraw/zinc/51/33/79/478513379.db2.gz RZKVLJLNIKLJHG-OAHLLOKOSA-N 0 2 342.417 2.932 20 5 EFBDLN CCc1ccc(C)nc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000594728351 478517133 /nfs/dbraw/zinc/51/71/33/478517133.db2.gz DALNSJOZEQMOEE-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000594730851 478519075 /nfs/dbraw/zinc/51/90/75/478519075.db2.gz RPPDIIXYPOJZGV-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cc(N2CC[C@@H](C(=O)[O-])[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000592982603 479116650 /nfs/dbraw/zinc/11/66/50/479116650.db2.gz JAGOYPPKWYLHCT-SMDDNHRTSA-N 0 2 342.355 2.660 20 5 EFBDLN O=C([O-])c1ccnc(Nc2ccc(N3CCCCC3)[nH+]c2)c1[N+](=O)[O-] ZINC000584472271 479148416 /nfs/dbraw/zinc/14/84/16/479148416.db2.gz ISOVUAJFPOVFJP-UHFFFAOYSA-N 0 2 343.343 2.817 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2ccncc2)C1 ZINC000556858479 479228764 /nfs/dbraw/zinc/22/87/64/479228764.db2.gz QPTMOKFKXMNGPG-CYBMUJFWSA-N 0 2 327.340 2.715 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000611535578 479407652 /nfs/dbraw/zinc/40/76/52/479407652.db2.gz ZYUQYCYKMOCAIE-HNNXBMFYSA-N 0 2 328.324 2.983 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000593735572 479439024 /nfs/dbraw/zinc/43/90/24/479439024.db2.gz QFZVOVZEDYNOSV-CQSZACIVSA-N 0 2 348.380 2.928 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@@H](c3cccs3)C2)c1 ZINC000593735572 479439031 /nfs/dbraw/zinc/43/90/31/479439031.db2.gz QFZVOVZEDYNOSV-CQSZACIVSA-N 0 2 348.380 2.928 20 5 EFBDLN COc1ccc2c(c1)C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000593735810 479439222 /nfs/dbraw/zinc/43/92/22/479439222.db2.gz YOEBIONKTIFUDS-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN COc1ccc2c(c1)C[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC2 ZINC000593735810 479439229 /nfs/dbraw/zinc/43/92/29/479439229.db2.gz YOEBIONKTIFUDS-UHFFFAOYSA-N 0 2 342.351 2.860 20 5 EFBDLN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593746582 479445131 /nfs/dbraw/zinc/44/51/31/479445131.db2.gz MLUZMYDEIKTJLY-MRXNPFEDSA-N 0 2 331.328 2.689 20 5 EFBDLN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593746582 479445139 /nfs/dbraw/zinc/44/51/39/479445139.db2.gz MLUZMYDEIKTJLY-MRXNPFEDSA-N 0 2 331.328 2.689 20 5 EFBDLN O=C([O-])[C@@H]1CN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C[C@H]1C1CC1 ZINC000593756552 479449149 /nfs/dbraw/zinc/44/91/49/479449149.db2.gz GAOMIFQEAPWSDU-LSDHHAIUSA-N 0 2 327.340 2.690 20 5 EFBDLN CCn1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C(C)C)cn1 ZINC000593833742 479478704 /nfs/dbraw/zinc/47/87/04/479478704.db2.gz BOGSVNVPZGBCLR-UHFFFAOYSA-N 0 2 332.360 2.568 20 5 EFBDLN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000590399243 479639954 /nfs/dbraw/zinc/63/99/54/479639954.db2.gz IMMSCCDDTPWKIO-UHFFFAOYSA-N 0 2 340.295 2.648 20 5 EFBDLN Cc1ccc(O)c(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590598303 479666076 /nfs/dbraw/zinc/66/60/76/479666076.db2.gz YHJPPMGUYLHHFU-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN COCCOCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000612530030 479687137 /nfs/dbraw/zinc/68/71/37/479687137.db2.gz VUKSTGKHYZGNMX-UHFFFAOYSA-N 0 2 346.339 2.716 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000619467184 479801972 /nfs/dbraw/zinc/80/19/72/479801972.db2.gz SGLHEOOOLZISTH-UHFFFAOYSA-N 0 2 347.352 2.886 20 5 EFBDLN CCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619466281 479802074 /nfs/dbraw/zinc/80/20/74/479802074.db2.gz HVKKDMAWAIOEHQ-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN CCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466342 479802317 /nfs/dbraw/zinc/80/23/17/479802317.db2.gz RFZIGSDDKGLOAG-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1C ZINC000614014766 480165623 /nfs/dbraw/zinc/16/56/23/480165623.db2.gz KJIZQBRRNWPGMR-UHFFFAOYSA-N 0 2 336.325 2.709 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3ccc4c(c3)CCO4)no2)cc1O ZINC000618399332 480658088 /nfs/dbraw/zinc/65/80/88/480658088.db2.gz GSANMLIZQPLUEE-UHFFFAOYSA-N 0 2 339.307 2.876 20 5 EFBDLN CCn1ccnc1[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000281479303 517884985 /nfs/dbraw/zinc/88/49/85/517884985.db2.gz CYRBJSYHORPLHT-CQSZACIVSA-N 0 2 344.371 2.884 20 5 EFBDLN O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164030388 534354526 /nfs/dbraw/zinc/35/45/26/534354526.db2.gz ISQPXBTYNOWQHL-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN CCCNC(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089541008 519902405 /nfs/dbraw/zinc/90/24/05/519902405.db2.gz JQAOBVOACHWEBH-UHFFFAOYSA-N 0 2 343.339 2.693 20 5 EFBDLN CCOCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000030122935 520190848 /nfs/dbraw/zinc/19/08/48/520190848.db2.gz FWTIGICCUGORMD-UHFFFAOYSA-N 0 2 330.340 2.767 20 5 EFBDLN CCC(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000089531354 521226293 /nfs/dbraw/zinc/22/62/93/521226293.db2.gz VZYBYCMLURNDBS-UHFFFAOYSA-N 0 2 329.312 2.901 20 5 EFBDLN CCCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000072903021 521637808 /nfs/dbraw/zinc/63/78/08/521637808.db2.gz QHFNSQVXSPPHQP-UHFFFAOYSA-N 0 2 340.339 2.734 20 5 EFBDLN COc1cc(C)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000059354291 522278489 /nfs/dbraw/zinc/27/84/89/522278489.db2.gz JUIKMXNYLUJCIW-UHFFFAOYSA-N 0 2 332.312 2.635 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](c2ccccc2)O1 ZINC000067860189 524535307 /nfs/dbraw/zinc/53/53/07/524535307.db2.gz BUEYDMYUCMPFRZ-YVEFUNNKSA-N 0 2 342.351 2.903 20 5 EFBDLN Cc1ccc(CO)cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000151880210 524625276 /nfs/dbraw/zinc/62/52/76/524625276.db2.gz HLQYQCBCIRRCQG-UHFFFAOYSA-N 0 2 336.369 2.505 20 5 EFBDLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000180756186 524875301 /nfs/dbraw/zinc/87/53/01/524875301.db2.gz UGDMGKHQXCQCTL-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN COc1ccc2[nH]cc(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)c2c1 ZINC000089530923 525490999 /nfs/dbraw/zinc/49/09/99/525490999.db2.gz OVHLHUWPCJYZLN-UHFFFAOYSA-N 0 2 341.323 2.972 20 5 EFBDLN COc1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000062224618 525537335 /nfs/dbraw/zinc/53/73/35/525537335.db2.gz RTWQNQRQDLTAFT-UHFFFAOYSA-N 0 2 328.324 2.508 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1F ZINC000180758345 525609947 /nfs/dbraw/zinc/60/99/47/525609947.db2.gz AKEAOJDLZCDZSP-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN O=C(NCc1ccccc1[N+](=O)[O-])c1cc(F)c(F)c(O)c1F ZINC000183422971 526760283 /nfs/dbraw/zinc/76/02/83/526760283.db2.gz HWYQQULMJVCMKN-UHFFFAOYSA-N 0 2 326.230 2.648 20 5 EFBDLN Cc1onc(-c2ccccn2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180770065 526852622 /nfs/dbraw/zinc/85/26/22/526852622.db2.gz HJMQNBHOPSKPJK-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000180756907 527000103 /nfs/dbraw/zinc/00/01/03/527000103.db2.gz JORLTPSABZLSHU-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000180765438 527131720 /nfs/dbraw/zinc/13/17/20/527131720.db2.gz IOMUUIIJWGEOHW-VIFPVBQESA-N 0 2 347.293 2.513 20 5 EFBDLN Cn1cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531695 527147947 /nfs/dbraw/zinc/14/79/47/527147947.db2.gz FVWIFPNRXAWYPY-UHFFFAOYSA-N 0 2 340.133 2.654 20 5 EFBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000076686960 527494750 /nfs/dbraw/zinc/49/47/50/527494750.db2.gz FLZQWTFRTOGPRA-UHFFFAOYSA-N 0 2 327.275 2.771 20 5 EFBDLN CC(C)CCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000131310597 527745853 /nfs/dbraw/zinc/74/58/53/527745853.db2.gz NFBRLXQCRMVQFY-UHFFFAOYSA-N 0 2 336.388 2.968 20 5 EFBDLN CC(C)c1nc2c(n1C)CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C2 ZINC000173696090 528325025 /nfs/dbraw/zinc/32/50/25/528325025.db2.gz WZNBQSJTCMFPEB-UHFFFAOYSA-N 0 2 342.399 2.579 20 5 EFBDLN COc1ccccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000355875033 537103776 /nfs/dbraw/zinc/10/37/76/537103776.db2.gz APDZIWDJDJBAPQ-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccn1Cc1ccncc1 ZINC000770860057 581142559 /nfs/dbraw/zinc/14/25/59/581142559.db2.gz ACLGHSHQTMJGMH-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN CC(=O)Nc1c(C)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770864683 581143128 /nfs/dbraw/zinc/14/31/28/581143128.db2.gz ZWTQFTNSELCPPQ-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)CC2 ZINC000773603510 581449575 /nfs/dbraw/zinc/44/95/75/581449575.db2.gz JPMAJJFDTUQGET-UHFFFAOYSA-N 0 2 343.295 2.720 20 5 EFBDLN O=C([O-])/C=C/c1ccc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000739627775 599994469 /nfs/dbraw/zinc/99/44/69/599994469.db2.gz ZXOWUZWNNQJZIX-FNORWQNLSA-N 0 2 342.355 2.838 20 5 EFBDLN O=C([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000740203361 600084109 /nfs/dbraw/zinc/08/41/09/600084109.db2.gz QPNUBYPEDHYWCU-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN O=C([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000740203361 600084113 /nfs/dbraw/zinc/08/41/13/600084113.db2.gz QPNUBYPEDHYWCU-UHFFFAOYSA-N 0 2 328.324 2.688 20 5 EFBDLN CN(CCCn1cc[nH+]c1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000830781114 604644775 /nfs/dbraw/zinc/64/47/75/604644775.db2.gz IYCOABHMHJPPRT-UHFFFAOYSA-N 0 2 338.751 2.669 20 5 EFBDLN C[C@H](CC(=O)O[C@H](c1ccccc1F)[C@H](C)[N+](=O)[O-])n1cc[nH+]c1 ZINC000845882334 1279904753 /nfs/dbraw/zinc/90/47/53/1279904753.db2.gz SRRJKLISPKCXFS-WQGACYEGSA-N 0 2 335.335 2.923 20 5 EFBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc(N)cc1[N+](=O)[O-] ZINC000811718498 1284556560 /nfs/dbraw/zinc/55/65/60/1284556560.db2.gz RUHOPHPKUQFIRY-UHFFFAOYSA-N 0 2 331.357 2.524 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000813498504 1285967928 /nfs/dbraw/zinc/96/79/28/1285967928.db2.gz DDUMWOZRKFZIIZ-SWLSCSKDSA-N 0 2 342.307 2.543 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1NC(=O)C1CC1 ZINC000815876685 1287864227 /nfs/dbraw/zinc/86/42/27/1287864227.db2.gz JYTDSALCDXOROL-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN COc1ccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(Cl)c1OC ZINC000817102789 1288409444 /nfs/dbraw/zinc/40/94/44/1288409444.db2.gz QNYKYKCZBOIAJZ-HTQZYQBOSA-N 0 2 325.708 2.540 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)n1 ZINC000092546038 1290787175 /nfs/dbraw/zinc/78/71/75/1290787175.db2.gz QIETXRHPNRMDEI-UHFFFAOYSA-N 0 2 338.117 2.710 20 5 EFBDLN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000879766210 1292263690 /nfs/dbraw/zinc/26/36/90/1292263690.db2.gz VUAIBFUCHNMOFK-QMTHXVAHSA-N 0 2 345.321 2.799 20 5 EFBDLN Cc1c2ccccc2oc(=O)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000135340652 1294208587 /nfs/dbraw/zinc/20/85/87/1294208587.db2.gz ZBOAHMYGTGZHHZ-UHFFFAOYSA-N 0 2 340.291 2.968 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000121458869 1294308409 /nfs/dbraw/zinc/30/84/09/1294308409.db2.gz FXZZETOKWCPTCM-UHFFFAOYSA-N 0 2 343.311 2.564 20 5 EFBDLN CNc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000776200182 1296995448 /nfs/dbraw/zinc/99/54/48/1296995448.db2.gz QOAPXFIFCFPQQV-UHFFFAOYSA-N 0 2 332.272 2.503 20 5 EFBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000194342226 1298540506 /nfs/dbraw/zinc/54/05/06/1298540506.db2.gz UVEWJHZOCTZZGI-UHFFFAOYSA-N 0 2 343.361 2.869 20 5 EFBDLN Cc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)n1 ZINC000083954990 1298723745 /nfs/dbraw/zinc/72/37/45/1298723745.db2.gz AZRDAAPBVAKDAI-UHFFFAOYSA-N 0 2 347.805 2.544 20 5 EFBDLN O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901415517 1310411822 /nfs/dbraw/zinc/41/18/22/1310411822.db2.gz NYJKGGCEYVCURT-SSDOTTSWSA-N 0 2 349.206 2.715 20 5 EFBDLN O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000901415517 1310411827 /nfs/dbraw/zinc/41/18/27/1310411827.db2.gz NYJKGGCEYVCURT-SSDOTTSWSA-N 0 2 349.206 2.715 20 5 EFBDLN C[C@H](Oc1nc(Cl)cc(=O)[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225558606 1311543209 /nfs/dbraw/zinc/54/32/09/1311543209.db2.gz GMPQKFKSNHLALR-LURJTMIESA-N 0 2 339.691 2.613 20 5 EFBDLN COC(=O)[C@@H](Cc1ccc(F)cc1)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225623704 1311555717 /nfs/dbraw/zinc/55/57/17/1311555717.db2.gz QRHZWJSKZPPHGR-CQSZACIVSA-N 0 2 335.287 2.603 20 5 EFBDLN CSc1nc(O[C@H](C)COc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624917 1311833021 /nfs/dbraw/zinc/83/30/21/1311833021.db2.gz IWVQLFMXNLVRBW-SECBINFHSA-N 0 2 337.357 2.659 20 5 EFBDLN CSc1nc(O[C@@H]2CCC(=O)c3ccccc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624949 1311833127 /nfs/dbraw/zinc/83/31/27/1311833127.db2.gz KSNRHPVRKVUZOS-LLVKDONJSA-N 0 2 347.352 2.909 20 5 EFBDLN CSc1nc(OC[C@H](C)Oc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227626956 1311833296 /nfs/dbraw/zinc/83/32/96/1311833296.db2.gz CMYDPIWEODEEHF-VIFPVBQESA-N 0 2 337.357 2.659 20 5 EFBDLN CSc1nc(O[C@H](C(C)=O)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627927 1311833357 /nfs/dbraw/zinc/83/33/57/1311833357.db2.gz KFKQXYAFPOTAQK-LLVKDONJSA-N 0 2 335.341 2.521 20 5 EFBDLN CSc1nc(OC[C@@H](C)Oc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227626953 1311833706 /nfs/dbraw/zinc/83/37/06/1311833706.db2.gz CMYDPIWEODEEHF-SECBINFHSA-N 0 2 337.357 2.659 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC4CCC(=O)CC4)c3nc2cc1C ZINC001228686272 1311981910 /nfs/dbraw/zinc/98/19/10/1311981910.db2.gz MNLNLMSNJVRZCJ-UHFFFAOYSA-N 0 2 338.367 2.786 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC[C@H]4CCC=CO4)c3nc2cc1C ZINC001228686286 1311982096 /nfs/dbraw/zinc/98/20/96/1311982096.db2.gz MXCDUCIDEWCOPY-GFCCVEGCSA-N 0 2 338.367 2.967 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCO[C@H](C)C4)c3nc2cc1C ZINC001228687564 1311982332 /nfs/dbraw/zinc/98/23/32/1311982332.db2.gz XTLHYKVFEBALHZ-NEPJUHHUSA-N 0 2 340.383 2.842 20 5 EFBDLN O=[N+]([O-])c1c(O)cc(C(F)(F)F)nc1O[C@@H]1COc2cnccc21 ZINC001228859695 1312010999 /nfs/dbraw/zinc/01/09/99/1312010999.db2.gz NQPUPTLPRTZGML-SECBINFHSA-N 0 2 343.217 2.622 20 5 EFBDLN CC[C@@H]1OC(=O)C(Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])=C1C ZINC001228860652 1312011235 /nfs/dbraw/zinc/01/12/35/1312011235.db2.gz WSOQJAMYJFKJJZ-ZETCQYMHSA-N 0 2 348.233 2.702 20 5 EFBDLN CCOC(=O)[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])c1ccccc1 ZINC001228971233 1312029555 /nfs/dbraw/zinc/02/95/55/1312029555.db2.gz MMXHUAXPXIFCKV-OAHLLOKOSA-N 0 2 333.296 2.689 20 5 EFBDLN COc1ccccc1OC[C@@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973198 1312030078 /nfs/dbraw/zinc/03/00/78/1312030078.db2.gz HSAGOJJJFHYINA-SNVBAGLBSA-N 0 2 335.312 2.861 20 5 EFBDLN CCOC(=O)[C@@H]1CCC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228975291 1312030515 /nfs/dbraw/zinc/03/05/15/1312030515.db2.gz ZDWHZYSETRJNFD-KOLCDFICSA-N 0 2 325.317 2.507 20 5 EFBDLN CCCSc1nc(O[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793386 1312140408 /nfs/dbraw/zinc/14/04/08/1312140408.db2.gz ZLDHVQMYPHOIAZ-DTWKUNHWSA-N 0 2 329.378 2.539 20 5 EFBDLN CCCSc1nc(OC2CCC(OC)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791843 1312140606 /nfs/dbraw/zinc/14/06/06/1312140606.db2.gz ONFMCDGUDMAZDB-UHFFFAOYSA-N 0 2 343.405 2.929 20 5 EFBDLN CCCSc1nc(OC[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229796968 1312141688 /nfs/dbraw/zinc/14/16/88/1312141688.db2.gz OXAPUDGACUJAHF-VIFPVBQESA-N 0 2 343.405 2.929 20 5 EFBDLN COc1ccccc1-c1noc(Cc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001247990760 1314878800 /nfs/dbraw/zinc/87/88/00/1314878800.db2.gz WUBXXLFEZMGUNQ-UHFFFAOYSA-N 0 2 327.296 2.950 20 5 EFBDLN Cc1cc(-c2noc(Cc3ccc(O)c([N+](=O)[O-])c3)n2)cnc1C ZINC001247988042 1314878838 /nfs/dbraw/zinc/87/88/38/1314878838.db2.gz ULEFPGBEQVSZNR-UHFFFAOYSA-N 0 2 326.312 2.953 20 5 EFBDLN COc1cnc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)c(C)c1 ZINC001216682267 1314992635 /nfs/dbraw/zinc/99/26/35/1314992635.db2.gz KDJXPFHXXRKMSB-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc(O)c(F)c(F)c2)n1 ZINC001216972788 1315027231 /nfs/dbraw/zinc/02/72/31/1315027231.db2.gz DGSIOGFHQJSOGD-UHFFFAOYSA-N 0 2 338.201 2.830 20 5 EFBDLN O=[N+]([O-])c1ccc(O)cc1-c1nc2cc(N3CCOCC3)ccc2[nH]1 ZINC001250854400 1315280138 /nfs/dbraw/zinc/28/01/38/1315280138.db2.gz SSHREWPYPUYLLT-UHFFFAOYSA-N 0 2 340.339 2.680 20 5 EFBDLN CC(C)Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCCC1 ZINC001343512572 1332353255 /nfs/dbraw/zinc/35/32/55/1332353255.db2.gz MKKIFGDHBFBPQK-UHFFFAOYSA-N 0 2 331.376 2.815 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001355662508 1334844138 /nfs/dbraw/zinc/84/41/38/1334844138.db2.gz ZXICRTDRLFFVNT-CYBMUJFWSA-N 0 2 343.387 2.722 20 5 EFBDLN Cc1ccc([C@@H](C)Nc2[nH+]ccc(C)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826284569 1427552657 /nfs/dbraw/zinc/55/26/57/1427552657.db2.gz YBYMIFICBUSEIF-LLVKDONJSA-N 0 2 339.359 2.960 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120078328 712908583 /nfs/dbraw/zinc/90/85/83/712908583.db2.gz RKJVAUCXHUHSOR-UHFFFAOYSA-N 0 2 343.342 2.674 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000120104473 712924158 /nfs/dbraw/zinc/92/41/58/712924158.db2.gz HTJKZIPTKBTIMI-UHFFFAOYSA-N 0 2 343.342 2.674 20 5 EFBDLN Cc1nc2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2o1 ZINC000120154159 712965540 /nfs/dbraw/zinc/96/55/40/712965540.db2.gz RMDHILLSTVUUAB-UHFFFAOYSA-N 0 2 339.354 2.907 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cnc1Cl ZINC000154053380 727696548 /nfs/dbraw/zinc/69/65/48/727696548.db2.gz NAQSCSYZHIZSAA-UHFFFAOYSA-N 0 2 345.739 2.892 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cnc1Cl ZINC000154057598 727696869 /nfs/dbraw/zinc/69/68/69/727696869.db2.gz FUWBKSWDSSRGLI-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CC[C@]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595298976 980423206 /nfs/dbraw/zinc/42/32/06/980423206.db2.gz GAXRQNPZFCJTQJ-QGZVFWFLSA-N 0 2 330.340 2.780 20 5 EFBDLN CC(C)(CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])n1cc[nH+]c1 ZINC001590774342 990578035 /nfs/dbraw/zinc/57/80/35/990578035.db2.gz RLYQVNXFZGUHOM-GQCTYLIASA-N 0 2 330.344 2.736 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001601872637 1095946505 /nfs/dbraw/zinc/94/65/05/1095946505.db2.gz HVGLNLZRCZJECM-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC001601872637 1095946511 /nfs/dbraw/zinc/94/65/11/1095946511.db2.gz HVGLNLZRCZJECM-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001607191688 1097556761 /nfs/dbraw/zinc/55/67/61/1097556761.db2.gz QFDOCPQFOKYFIJ-QMMMGPOBSA-N 0 2 337.357 2.609 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC001608914806 1098069564 /nfs/dbraw/zinc/06/95/64/1098069564.db2.gz LBOYEOKLIZWUKH-UHFFFAOYSA-N 0 2 342.355 2.769 20 5 EFBDLN C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])Cn1cc[nH+]c1 ZINC001609746489 1098445463 /nfs/dbraw/zinc/44/54/63/1098445463.db2.gz KNPTXWXBWIKMPB-VIFPVBQESA-N 0 2 338.751 2.891 20 5 EFBDLN COc1cc(CSc2nc(C)n[nH]2)c([N+](=O)[O-])cc1OC(F)F ZINC000010779514 1099069962 /nfs/dbraw/zinc/06/99/62/1099069962.db2.gz YYLANAFPBWMVKQ-UHFFFAOYSA-N 0 2 346.315 2.924 20 5 EFBDLN CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000840430146 1101073247 /nfs/dbraw/zinc/07/32/47/1101073247.db2.gz LBLHBXKSEQRWJG-IAGOWNOFSA-N 0 2 326.352 2.894 20 5 EFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1F ZINC000072071280 1119026308 /nfs/dbraw/zinc/02/63/08/1119026308.db2.gz CDBAHTBXFDQUCQ-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncc(C)s1 ZINC000066247498 215027235 /nfs/dbraw/zinc/02/72/35/215027235.db2.gz OLKVTNRPBVBLQW-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN Cc1c(NS(=O)(=O)c2cccnc2Cl)cccc1[N+](=O)[O-] ZINC000037981191 213181196 /nfs/dbraw/zinc/18/11/96/213181196.db2.gz OIPUFQQONRIAKG-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc3[nH]cnc32)ccc1[N+](=O)[O-] ZINC000072301878 216139224 /nfs/dbraw/zinc/13/92/24/216139224.db2.gz FEVGXKHXUXHPJC-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000191812081 239313885 /nfs/dbraw/zinc/31/38/85/239313885.db2.gz KIWIOCFWIWXKPE-UHFFFAOYSA-N 0 2 348.384 2.513 20 5 EFBDLN CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000192245666 240035964 /nfs/dbraw/zinc/03/59/64/240035964.db2.gz MCIUJPDGACOTJA-UHFFFAOYSA-N 0 2 346.387 2.612 20 5 EFBDLN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000021027723 212200709 /nfs/dbraw/zinc/20/07/09/212200709.db2.gz CCLGIURSVFEAOS-FPYGCLRLSA-N 0 2 329.268 2.861 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000266512105 248338782 /nfs/dbraw/zinc/33/87/82/248338782.db2.gz BQHUHHCUQWWKDC-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000266555655 248358605 /nfs/dbraw/zinc/35/86/05/248358605.db2.gz IUURWDNWJZPYEW-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN COc1cc(OC)cc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436821364 249605072 /nfs/dbraw/zinc/60/50/72/249605072.db2.gz PBGMVCYFSZMSJC-UHFFFAOYSA-N 0 2 332.312 2.594 20 5 EFBDLN O=C(NCCCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436867927 249617624 /nfs/dbraw/zinc/61/76/24/249617624.db2.gz GDOYQVLVJMNFBY-UHFFFAOYSA-N 0 2 334.303 2.638 20 5 EFBDLN O=C(NCc1ccc2c(n1)CCCC2)c1cc([N+](=O)[O-])ccc1O ZINC000444563030 250312021 /nfs/dbraw/zinc/31/20/21/250312021.db2.gz YCKBCNRPWRQQJG-UHFFFAOYSA-N 0 2 327.340 2.504 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc(C(C)C)o2)c1C ZINC000153600554 224128228 /nfs/dbraw/zinc/12/82/28/224128228.db2.gz SHDCWANVQJCULD-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN C[C@H](CCCc1cccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000457922431 255722240 /nfs/dbraw/zinc/72/22/40/255722240.db2.gz HAVMRQOKYHQOHF-GFCCVEGCSA-N 0 2 329.356 2.837 20 5 EFBDLN CCN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000186292558 285310002 /nfs/dbraw/zinc/31/00/02/285310002.db2.gz QRWHYZUNWPQNRG-UHFFFAOYSA-N 0 2 327.340 2.787 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2n1C ZINC000184798999 533292684 /nfs/dbraw/zinc/29/26/84/533292684.db2.gz LBRQWSJVKHNNSB-SNVBAGLBSA-N 0 2 340.339 2.678 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000344890435 142093162 /nfs/dbraw/zinc/09/31/62/142093162.db2.gz QFTNKDDPKCDMKU-UHFFFAOYSA-N 0 2 341.327 2.582 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2cnccc21 ZINC000347835857 142279222 /nfs/dbraw/zinc/27/92/22/142279222.db2.gz JAEOBTVMGZOMNX-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(C)=O)ccc2O)c1 ZINC000349727473 142352436 /nfs/dbraw/zinc/35/24/36/142352436.db2.gz RPIPOHGNGCHDQP-UHFFFAOYSA-N 0 2 330.296 2.764 20 5 EFBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccoc2)c1 ZINC000350012061 142390575 /nfs/dbraw/zinc/39/05/75/142390575.db2.gz RLIXZNHFIOGITD-UHFFFAOYSA-N 0 2 334.256 2.590 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc3[nH]cnc32)c1 ZINC000351619730 146160830 /nfs/dbraw/zinc/16/08/30/146160830.db2.gz LAFZLWTWEVISQF-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CCc1nc(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1C ZINC000351843171 146216203 /nfs/dbraw/zinc/21/62/03/146216203.db2.gz CAFDUEJEVFCDNB-UHFFFAOYSA-N 0 2 335.385 2.600 20 5 EFBDLN Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)ccc1[N+](=O)[O-] ZINC000355801242 147067723 /nfs/dbraw/zinc/06/77/23/147067723.db2.gz XOAQTPKUOYMSQC-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](c1ccccc1)n1cccn1 ZINC000356294498 147203464 /nfs/dbraw/zinc/20/34/64/147203464.db2.gz NNFRRGGGZVPFKY-MRXNPFEDSA-N 0 2 338.323 2.725 20 5 EFBDLN CCC(=O)N[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000356324267 147212078 /nfs/dbraw/zinc/21/20/78/147212078.db2.gz UAFGWZDXDJJTIS-INIZCTEOSA-N 0 2 343.339 2.506 20 5 EFBDLN Cc1cc(NCCCc2n[nH]c(=O)[nH]2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360066604 148263934 /nfs/dbraw/zinc/26/39/34/148263934.db2.gz QYVPVRYXRDQOBK-UHFFFAOYSA-N 0 2 345.281 2.790 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](Oc2ccccc2)C1 ZINC000360399893 148352902 /nfs/dbraw/zinc/35/29/02/148352902.db2.gz FUDHCUUZPUQJJR-HNNXBMFYSA-N 0 2 342.351 2.984 20 5 EFBDLN CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000446494940 286200936 /nfs/dbraw/zinc/20/09/36/286200936.db2.gz YPFIQCWOISYTOC-INIZCTEOSA-N 0 2 330.340 2.808 20 5 EFBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000370470320 150600264 /nfs/dbraw/zinc/60/02/64/150600264.db2.gz QYHFNDVFLNJEAP-MFKMUULPSA-N 0 2 328.324 2.595 20 5 EFBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H](c2ccccc2)CO1 ZINC000182065626 296914999 /nfs/dbraw/zinc/91/49/99/296914999.db2.gz UNFMEEIIYKGEQE-MLGOLLRUSA-N 0 2 342.351 2.903 20 5 EFBDLN CO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000187549606 265108423 /nfs/dbraw/zinc/10/84/23/265108423.db2.gz VSAKIYFIBDBBHR-HNNXBMFYSA-N 0 2 334.303 2.557 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)oc1C ZINC000272154015 266170182 /nfs/dbraw/zinc/17/01/82/266170182.db2.gz MNAOPQNWJQMSGF-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000272467344 266273722 /nfs/dbraw/zinc/27/37/22/266273722.db2.gz ZRUOFPHLVMYORY-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)cc1[N+](=O)[O-] ZINC000276908604 267073433 /nfs/dbraw/zinc/07/34/33/267073433.db2.gz MWHPXZPMLLPJFY-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C3CC3)[nH]n2)cc1[N+](=O)[O-] ZINC000276908604 267073435 /nfs/dbraw/zinc/07/34/35/267073435.db2.gz MWHPXZPMLLPJFY-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN COc1cc(S(=O)(=O)Nc2cscc2C)ccc1[N+](=O)[O-] ZINC000161659613 273022343 /nfs/dbraw/zinc/02/23/43/273022343.db2.gz RUVSHJHDOAZESP-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN Cc1cnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)s1 ZINC000184817570 273049979 /nfs/dbraw/zinc/04/99/79/273049979.db2.gz WDXINTMJJIHOEM-ZDUSSCGKSA-N 0 2 333.369 2.946 20 5 EFBDLN CC(C)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])no1 ZINC000273641954 273116313 /nfs/dbraw/zinc/11/63/13/273116313.db2.gz ZDHNFOXNMUTELD-UHFFFAOYSA-N 0 2 325.346 2.648 20 5 EFBDLN C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000280773851 273365277 /nfs/dbraw/zinc/36/52/77/273365277.db2.gz GIOWPXIEQURXMA-MRVPVSSYSA-N 0 2 335.316 2.796 20 5 EFBDLN CN(CCCOCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000281774946 273468128 /nfs/dbraw/zinc/46/81/28/273468128.db2.gz USBKECKJZZLRKH-UHFFFAOYSA-N 0 2 344.367 2.979 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000282138189 273519082 /nfs/dbraw/zinc/51/90/82/273519082.db2.gz PTIZFDSMVITIBH-FWYOQMDTSA-N 0 2 348.399 2.702 20 5 EFBDLN CC(C)(C)c1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000059482655 292670333 /nfs/dbraw/zinc/67/03/33/292670333.db2.gz POMKIYLEYXBIRJ-UHFFFAOYSA-N 0 2 341.414 2.572 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(F)c1C ZINC000075082700 292741974 /nfs/dbraw/zinc/74/19/74/292741974.db2.gz DCXQDMFJVCDZFY-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000079268898 292785755 /nfs/dbraw/zinc/78/57/55/292785755.db2.gz IBWGCBVZKXHQDV-UHFFFAOYSA-N 0 2 335.385 2.770 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000132717083 293235497 /nfs/dbraw/zinc/23/54/97/293235497.db2.gz NWQUKLLRWPQRQJ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000132869387 293240101 /nfs/dbraw/zinc/24/01/01/293240101.db2.gz HVAMZYQFELJQQD-UHFFFAOYSA-N 0 2 334.353 2.734 20 5 EFBDLN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000157685868 293550686 /nfs/dbraw/zinc/55/06/86/293550686.db2.gz SBHDQDYAKVFLBO-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000255557377 293867868 /nfs/dbraw/zinc/86/78/68/293867868.db2.gz JDQMGYQLPRYZKS-XQRVVYSFSA-N 0 2 336.735 2.648 20 5 EFBDLN COc1cccc(C2(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 ZINC000291183961 294302763 /nfs/dbraw/zinc/30/27/63/294302763.db2.gz JZJZPHQZLZAZLB-UHFFFAOYSA-N 0 2 342.351 2.771 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1OCCc2sccc21 ZINC000294276800 295139782 /nfs/dbraw/zinc/13/97/82/295139782.db2.gz QEEGOXHOCNQBCO-BJOHPYRUSA-N 0 2 348.380 2.794 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1OCCc2sccc21 ZINC000294686218 295207766 /nfs/dbraw/zinc/20/77/66/295207766.db2.gz PWVRMXRQKDERAR-BJOHPYRUSA-N 0 2 348.380 2.794 20 5 EFBDLN O=C(Nc1ncc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000295916983 295396567 /nfs/dbraw/zinc/39/65/67/295396567.db2.gz IWGZJXBTLHPZLB-UHFFFAOYSA-N 0 2 349.368 2.903 20 5 EFBDLN C[C@@H]1COc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000371733880 297168161 /nfs/dbraw/zinc/16/81/61/297168161.db2.gz MJBSRLRSIDLFOR-LLVKDONJSA-N 0 2 328.324 2.724 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377117072 297653481 /nfs/dbraw/zinc/65/34/81/297653481.db2.gz ZXDYINVGHLYNNK-VXJOIVPMSA-N 0 2 332.287 2.692 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2ccc(F)cc2O1 ZINC000182864768 300193576 /nfs/dbraw/zinc/19/35/76/300193576.db2.gz NYXGXYRKEHQKGG-VIFPVBQESA-N 0 2 332.287 2.867 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)Cc2ccccc2O1 ZINC000355911927 300194224 /nfs/dbraw/zinc/19/42/24/300194224.db2.gz ZLSHOCMTKKZRHM-NSHDSACASA-N 0 2 328.324 2.724 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)Cc2ccccc2O1 ZINC000436691795 300194445 /nfs/dbraw/zinc/19/44/45/300194445.db2.gz YYIDBTQNUFQVHE-NSHDSACASA-N 0 2 328.324 2.724 20 5 EFBDLN C[C@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436737226 300646658 /nfs/dbraw/zinc/64/66/58/300646658.db2.gz PRRNQHIIRJRYGI-GLEZIHRCSA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(C(C)C)c2)c1C ZINC000089626637 301861589 /nfs/dbraw/zinc/86/15/89/301861589.db2.gz XKIXYPATJHWLGU-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN O=C(NC1CCC2(CCOCC2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000370318739 303739310 /nfs/dbraw/zinc/73/93/10/303739310.db2.gz MIOPWKKCEBRNLQ-UHFFFAOYSA-N 0 2 334.372 2.770 20 5 EFBDLN CCc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000179391444 310786564 /nfs/dbraw/zinc/78/65/64/310786564.db2.gz MXNJNGKUONHMLF-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000299598447 311101151 /nfs/dbraw/zinc/10/11/51/311101151.db2.gz ROUFRRUSNTVSHX-UHFFFAOYSA-N 0 2 342.351 2.771 20 5 EFBDLN Cc1ccnc(NCc2nnc(COc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000302239278 311186836 /nfs/dbraw/zinc/18/68/36/311186836.db2.gz HJAWXFAZHKHNTP-UHFFFAOYSA-N 0 2 340.343 2.607 20 5 EFBDLN O=[N+]([O-])c1ccc(NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000302237497 311186849 /nfs/dbraw/zinc/18/68/49/311186849.db2.gz GNDOJFZVKAIJGV-UHFFFAOYSA-N 0 2 325.328 2.904 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000331082460 311353007 /nfs/dbraw/zinc/35/30/07/311353007.db2.gz MHOXGMHDMUQUQQ-UHFFFAOYSA-N 0 2 344.418 2.622 20 5 EFBDLN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436969840 312604297 /nfs/dbraw/zinc/60/42/97/312604297.db2.gz ZQQWQIAOKZMHOZ-IRXDYDNUSA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000436974519 312605221 /nfs/dbraw/zinc/60/52/21/312605221.db2.gz ZJLLSEJPHACXOX-TVQRCGJNSA-N 0 2 334.278 2.865 20 5 EFBDLN Cn1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc2c1cccc2F ZINC000436977274 312605591 /nfs/dbraw/zinc/60/55/91/312605591.db2.gz QZDUGUOUBIUPDT-UHFFFAOYSA-N 0 2 330.275 2.579 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436988425 312606535 /nfs/dbraw/zinc/60/65/35/312606535.db2.gz JYOLOSKEHKXZLX-SUMWQHHRSA-N 0 2 342.351 2.808 20 5 EFBDLN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C ZINC000436986855 312606797 /nfs/dbraw/zinc/60/67/97/312606797.db2.gz HKEHGPVZOMBMNN-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCC3CCCC3)c2c1 ZINC000450981846 312789995 /nfs/dbraw/zinc/78/99/95/312789995.db2.gz AXJQTIZVKBKTAM-UHFFFAOYSA-N 0 2 338.389 2.793 20 5 EFBDLN O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)N=c1ccc(C2CC2)n[nH]1 ZINC000491838378 313785952 /nfs/dbraw/zinc/78/59/52/313785952.db2.gz MCYVOYWWZLGSLH-WAPJZHGLSA-N 0 2 344.758 2.989 20 5 EFBDLN COC(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000497230062 315358993 /nfs/dbraw/zinc/35/89/93/315358993.db2.gz WLBBVQHMPHXWDW-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN O=C([O-])[C@@H](c1ccsc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000566359549 319066765 /nfs/dbraw/zinc/06/67/65/319066765.db2.gz YDBWZRALGDDXAC-OAHLLOKOSA-N 0 2 347.396 2.604 20 5 EFBDLN C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c2[nH+]ccn21 ZINC000567590756 319186084 /nfs/dbraw/zinc/18/60/84/319186084.db2.gz BBUMGQXHXBWHAF-XVKPBYJWSA-N 0 2 336.735 2.586 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cc(C)cc(C)n2)cc1[N+](=O)[O-] ZINC000576943216 320063166 /nfs/dbraw/zinc/06/31/66/320063166.db2.gz CGGPAKWUTMTSGG-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576999598 320067761 /nfs/dbraw/zinc/06/77/61/320067761.db2.gz YZKQTYGIRYWOBF-AWEZNQCLSA-N 0 2 331.328 2.689 20 5 EFBDLN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000576999598 320067763 /nfs/dbraw/zinc/06/77/63/320067763.db2.gz YZKQTYGIRYWOBF-AWEZNQCLSA-N 0 2 331.328 2.689 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])sc1C ZINC000079256600 463199850 /nfs/dbraw/zinc/19/98/50/463199850.db2.gz BWGWBWXWQMPXGL-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000069845596 463337852 /nfs/dbraw/zinc/33/78/52/463337852.db2.gz CWZMLXDAVNCGSM-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=C(NCCOc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018151143 471970283 /nfs/dbraw/zinc/97/02/83/471970283.db2.gz FGSQEVWWMAYABF-UHFFFAOYSA-N 0 2 336.731 2.763 20 5 EFBDLN Cc1cccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000024216329 472049307 /nfs/dbraw/zinc/04/93/07/472049307.db2.gz SROUDLNHRIOELW-UHFFFAOYSA-N 0 2 330.340 2.760 20 5 EFBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055548819 472202108 /nfs/dbraw/zinc/20/21/08/472202108.db2.gz BJZKLXMSEFEDHP-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000084649880 472203852 /nfs/dbraw/zinc/20/38/52/472203852.db2.gz SXFYTTRVCYPQFR-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCC2 ZINC000055563727 472204104 /nfs/dbraw/zinc/20/41/04/472204104.db2.gz JORKKCSTKPEMKO-UHFFFAOYSA-N 0 2 348.380 2.893 20 5 EFBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccccc2)c1 ZINC000055589953 472209346 /nfs/dbraw/zinc/20/93/46/472209346.db2.gz VHSCIQSSEUYSES-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nc(C2CC2)no1 ZINC000069533426 472365921 /nfs/dbraw/zinc/36/59/21/472365921.db2.gz LZBSSYVPNFLIAQ-CYBMUJFWSA-N 0 2 346.343 2.688 20 5 EFBDLN CN(CCCOc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031364899 472375621 /nfs/dbraw/zinc/37/56/21/472375621.db2.gz FMMUNKOXWZKGHP-UHFFFAOYSA-N 0 2 330.340 2.842 20 5 EFBDLN O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000116459754 472410551 /nfs/dbraw/zinc/41/05/51/472410551.db2.gz RSUURAOHATVPNA-JOYOIKCWSA-N 0 2 334.278 2.865 20 5 EFBDLN Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)ccc1[N+](=O)[O-] ZINC000057753305 472471502 /nfs/dbraw/zinc/47/15/02/472471502.db2.gz LEDVNYIYBWZAAQ-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN CCN(CC)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000077222272 472479566 /nfs/dbraw/zinc/47/95/66/472479566.db2.gz LPXUUPDTTIQXSK-UHFFFAOYSA-N 0 2 330.344 2.794 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cc(C)cc(F)c2)c([N+](=O)[O-])c1 ZINC000155018472 472497494 /nfs/dbraw/zinc/49/74/94/472497494.db2.gz UZEIPMRBEVBTLT-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CC(C)n1nccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000070737264 472507793 /nfs/dbraw/zinc/50/77/93/472507793.db2.gz AWJDGAPRYLYXNM-UHFFFAOYSA-N 0 2 344.780 2.826 20 5 EFBDLN COc1ccc(NC(C)=O)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070871607 472519632 /nfs/dbraw/zinc/51/96/32/472519632.db2.gz IOQIRVNTACGVQZ-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN Cc1ccc(OCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000101674851 472548296 /nfs/dbraw/zinc/54/82/96/472548296.db2.gz MQENLROJNCTPBP-UHFFFAOYSA-N 0 2 330.340 2.808 20 5 EFBDLN O=C(Nc1ccccc1N1CCOC1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000071856821 472586480 /nfs/dbraw/zinc/58/64/80/472586480.db2.gz TXMJPBCZLKFDJH-UHFFFAOYSA-N 0 2 343.295 2.509 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(F)cc(F)c1 ZINC000103202289 472617621 /nfs/dbraw/zinc/61/76/21/472617621.db2.gz ZLOBCBYUMSJCFF-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN Cc1nc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])sc1C ZINC000060498728 472662879 /nfs/dbraw/zinc/66/28/79/472662879.db2.gz CNCLNWCAEKUXRB-UHFFFAOYSA-N 0 2 341.414 2.508 20 5 EFBDLN Cc1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000072758306 472711643 /nfs/dbraw/zinc/71/16/43/472711643.db2.gz OAEALZIFHRPQIZ-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000105388462 472750547 /nfs/dbraw/zinc/75/05/47/472750547.db2.gz JCTXEOKWJQIHFV-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1ccc(CCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000132910171 472762519 /nfs/dbraw/zinc/76/25/19/472762519.db2.gz HCXZMGPGQUVLCO-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN CC(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000157483773 472825547 /nfs/dbraw/zinc/82/55/47/472825547.db2.gz RPXRCIABONJXSS-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN O=C(Nc1ccc2nn[nH]c2c1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000157506683 472828610 /nfs/dbraw/zinc/82/86/10/472828610.db2.gz RHVMUXMHCBXCLF-UHFFFAOYSA-N 0 2 334.295 2.667 20 5 EFBDLN O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545884 472932654 /nfs/dbraw/zinc/93/26/54/472932654.db2.gz WPBMMIZVTRRIMI-UHFFFAOYSA-N 0 2 338.323 2.667 20 5 EFBDLN CC(C)NC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000092550158 472934477 /nfs/dbraw/zinc/93/44/77/472934477.db2.gz NUNBREFSRXUGEX-UHFFFAOYSA-N 0 2 343.339 2.691 20 5 EFBDLN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000158548583 472945402 /nfs/dbraw/zinc/94/54/02/472945402.db2.gz HEPDLLOWZZKDAW-CXAGYDPISA-N 0 2 342.351 2.951 20 5 EFBDLN COc1ccc(Cl)cc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000080093713 472973718 /nfs/dbraw/zinc/97/37/18/472973718.db2.gz SCSXBKNQRWSCIO-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN COCCn1nc(C)c(Nc2nc3sccn3c2[N+](=O)[O-])c1C ZINC000080249190 473002939 /nfs/dbraw/zinc/00/29/39/473002939.db2.gz AEGLYWPGSSDDJZ-UHFFFAOYSA-N 0 2 336.377 2.507 20 5 EFBDLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000159270992 473013897 /nfs/dbraw/zinc/01/38/97/473013897.db2.gz UXQXTOMTDJSFGY-UHFFFAOYSA-N 0 2 344.110 2.960 20 5 EFBDLN CCc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000080940878 473106914 /nfs/dbraw/zinc/10/69/14/473106914.db2.gz MFMNAWFUWKLQLS-UHFFFAOYSA-N 0 2 336.369 2.972 20 5 EFBDLN Cc1cccnc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185614650 473469021 /nfs/dbraw/zinc/46/90/21/473469021.db2.gz WQBIMHCMXUIYTC-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]n1 ZINC000126162429 473494658 /nfs/dbraw/zinc/49/46/58/473494658.db2.gz FUTWBUPOXRNIAF-UHFFFAOYSA-N 0 2 344.780 2.896 20 5 EFBDLN Cc1cnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)s1 ZINC000179517878 473691928 /nfs/dbraw/zinc/69/19/28/473691928.db2.gz JOZUJGCTYDCPDJ-ZDUSSCGKSA-N 0 2 333.369 2.946 20 5 EFBDLN Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186590453 473695060 /nfs/dbraw/zinc/69/50/60/473695060.db2.gz NNMPWRCLHVLFBH-DEOSSOPVSA-N 0 2 348.380 2.740 20 5 EFBDLN CSc1cccc(C(=O)Nc2ccc3nn[nH]c3c2)c1[N+](=O)[O-] ZINC000186813983 473761544 /nfs/dbraw/zinc/76/15/44/473761544.db2.gz PLAWGLRYEMTPRM-UHFFFAOYSA-N 0 2 329.341 2.840 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000180086273 473795049 /nfs/dbraw/zinc/79/50/49/473795049.db2.gz XAYDJJXCLZEFRF-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN C[C@H]1C[C@H](c2cccnc2)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000187356413 473862237 /nfs/dbraw/zinc/86/22/37/473862237.db2.gz HDMLIURWQYDKMC-XHDPSFHLSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Oc1ccccc1F ZINC000174543361 474059424 /nfs/dbraw/zinc/05/94/24/474059424.db2.gz MHIPFURSWRZYAH-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000275106661 474071714 /nfs/dbraw/zinc/07/17/14/474071714.db2.gz KUXSEQKHHCSOIV-JTQLQIEISA-N 0 2 339.348 2.542 20 5 EFBDLN O=C(NCc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])ccc1O ZINC000182041150 474086922 /nfs/dbraw/zinc/08/69/22/474086922.db2.gz DLZCARFZSXDSQZ-UHFFFAOYSA-N 0 2 347.274 2.706 20 5 EFBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H](c2ccsc2)O1 ZINC000182107095 474100578 /nfs/dbraw/zinc/10/05/78/474100578.db2.gz ARNKDNOZAFPRCG-ZUZCIYMTSA-N 0 2 348.380 2.964 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1COc2ccccc21 ZINC000182158382 474110912 /nfs/dbraw/zinc/11/09/12/474110912.db2.gz RWPUZGZFXRQQLP-IINYFYTJSA-N 0 2 328.324 2.595 20 5 EFBDLN CC(C)c1nnc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cn21 ZINC000189082810 474284974 /nfs/dbraw/zinc/28/49/74/474284974.db2.gz YRZVJKPMAFASSP-UHFFFAOYSA-N 0 2 341.327 2.719 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1[N+](=O)[O-] ZINC000189227315 474330337 /nfs/dbraw/zinc/33/03/37/474330337.db2.gz UYRMGOMYWNZMBA-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CCCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000183202734 474349599 /nfs/dbraw/zinc/34/95/99/474349599.db2.gz QECIVTAMLPPCAT-UHFFFAOYSA-N 0 2 345.377 2.944 20 5 EFBDLN O=C(NC1(c2nccs2)CCCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183631416 474402273 /nfs/dbraw/zinc/40/22/73/474402273.db2.gz ICMCFJAEVVFTCL-UHFFFAOYSA-N 0 2 333.369 2.956 20 5 EFBDLN Cc1nc([C@H]2CCC[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000271341618 474499869 /nfs/dbraw/zinc/49/98/69/474499869.db2.gz OLGRDYSRTOUTBY-SZTZYQKNSA-N 0 2 327.388 2.914 20 5 EFBDLN CCc1ccc([C@H](COC)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)o1 ZINC000176584736 474504279 /nfs/dbraw/zinc/50/42/79/474504279.db2.gz BRSZQNATBJYFMB-LBPRGKRZSA-N 0 2 334.328 2.573 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000271362331 474510754 /nfs/dbraw/zinc/51/07/54/474510754.db2.gz NOCUURPDKINLPV-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCC2 ZINC000184723296 474595348 /nfs/dbraw/zinc/59/53/48/474595348.db2.gz MHUKVAMOALQOLG-CABCVRRESA-N 0 2 334.372 2.720 20 5 EFBDLN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184745252 474599163 /nfs/dbraw/zinc/59/91/63/474599163.db2.gz AKLCUUHKKQSNFN-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000184781496 474606771 /nfs/dbraw/zinc/60/67/71/474606771.db2.gz HXHWVYTWGOEHKV-ABAIWWIYSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1c1cccc(F)c1[N+](=O)[O-] ZINC000291626192 474634519 /nfs/dbraw/zinc/63/45/19/474634519.db2.gz BFBLLPMZMYPTIS-PSASIEDQSA-N 0 2 349.284 2.770 20 5 EFBDLN Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000273132520 474733827 /nfs/dbraw/zinc/73/38/27/474733827.db2.gz GRKPVINGNRYBGH-UHFFFAOYSA-N 0 2 341.367 2.571 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000281189528 475107261 /nfs/dbraw/zinc/10/72/61/475107261.db2.gz AJBWNTVVNXGFCT-DSRCVFDASA-N 0 2 348.399 2.702 20 5 EFBDLN O=C(N[C@H]1CCCc2c(O)cccc21)c1cccc(O)c1[N+](=O)[O-] ZINC000339349116 475152118 /nfs/dbraw/zinc/15/21/18/475152118.db2.gz NYQQXWDOFZREHW-ZDUSSCGKSA-N 0 2 328.324 2.813 20 5 EFBDLN O=C(N[C@@H]1CCCC[C@@H]1OC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000337589065 475160006 /nfs/dbraw/zinc/16/00/06/475160006.db2.gz BJVDVMSJIQJJEX-SKDRFNHKSA-N 0 2 330.287 2.581 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCO[C@@H](c2ccccc2)C1 ZINC000613936665 480150863 /nfs/dbraw/zinc/15/08/63/480150863.db2.gz LLWRRGXDYVTREU-QGZVFWFLSA-N 0 2 342.351 2.904 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000337798837 475333128 /nfs/dbraw/zinc/33/31/28/475333128.db2.gz FNJAWNDDXDOKSU-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ncccc1OCC(F)F ZINC000361661986 475641232 /nfs/dbraw/zinc/64/12/32/475641232.db2.gz OWXNBMGWLYQOOW-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN COc1ccc(OC)c(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000346641763 475725558 /nfs/dbraw/zinc/72/55/58/475725558.db2.gz OISFZURMIRCUBV-UHFFFAOYSA-N 0 2 346.339 2.889 20 5 EFBDLN Cc1cc(=NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)[nH]nc1C ZINC000343216884 475860986 /nfs/dbraw/zinc/86/09/86/475860986.db2.gz JLJPHBYEXSKFNH-UHFFFAOYSA-N 0 2 341.371 2.620 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)no2)cc1O ZINC000358701998 475869178 /nfs/dbraw/zinc/86/91/78/475869178.db2.gz ZNHBQLWFVVXOOL-UHFFFAOYSA-N 0 2 327.252 2.746 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000338452770 475918429 /nfs/dbraw/zinc/91/84/29/475918429.db2.gz JIMBUIWDESSJQA-UHFFFAOYSA-N 0 2 327.300 2.517 20 5 EFBDLN Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358783736 475933964 /nfs/dbraw/zinc/93/39/64/475933964.db2.gz FRQFVGITVWIKIR-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CCOc1ccc(NS(=O)(=O)c2ccsc2)c([N+](=O)[O-])c1 ZINC000350120104 476056895 /nfs/dbraw/zinc/05/68/95/476056895.db2.gz IUQDCOWAAASWSS-UHFFFAOYSA-N 0 2 328.371 2.856 20 5 EFBDLN COc1cc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc(OC)c1 ZINC000340546940 476099294 /nfs/dbraw/zinc/09/92/94/476099294.db2.gz POLJUNJINHSJLD-UHFFFAOYSA-N 0 2 346.339 2.889 20 5 EFBDLN O=c1[nH]c2ccc(-c3noc(-c4ccc([N+](=O)[O-])c(O)c4)n3)cc2[nH]1 ZINC000350642881 476279015 /nfs/dbraw/zinc/27/90/15/476279015.db2.gz HAHNSTRGQFOQNZ-UHFFFAOYSA-N 0 2 339.267 2.599 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000374058376 476451361 /nfs/dbraw/zinc/45/13/61/476451361.db2.gz RSVHUXQNRAFYMZ-OYNZBZHQSA-N 0 2 348.399 2.702 20 5 EFBDLN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000357592258 476476440 /nfs/dbraw/zinc/47/64/40/476476440.db2.gz JXYLIIXZRWMNMB-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN CCOC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000357610768 476488177 /nfs/dbraw/zinc/48/81/77/476488177.db2.gz MWXLLCYECACFBT-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN COc1ccc(NC(C)=O)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000357613219 476489910 /nfs/dbraw/zinc/48/99/10/476489910.db2.gz GYTAYBOEWVSZSQ-UHFFFAOYSA-N 0 2 345.311 2.520 20 5 EFBDLN CCOC(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000362959925 476503804 /nfs/dbraw/zinc/50/38/04/476503804.db2.gz GTXWIJHUYXDSPW-UHFFFAOYSA-N 0 2 330.296 2.729 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1c1ccccc1 ZINC000364371128 476523639 /nfs/dbraw/zinc/52/36/39/476523639.db2.gz UZQXFHJUYSPHOC-OAHLLOKOSA-N 0 2 328.324 2.514 20 5 EFBDLN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1=NN(c2ccccc2)CC1=O ZINC000352185028 476531852 /nfs/dbraw/zinc/53/18/52/476531852.db2.gz YUVJNXVOIHLBME-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000374798864 476534285 /nfs/dbraw/zinc/53/42/85/476534285.db2.gz LEMKSDGKKVMYKH-OLZOCXBDSA-N 0 2 334.372 2.579 20 5 EFBDLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000354426918 476654823 /nfs/dbraw/zinc/65/48/23/476654823.db2.gz UWDRPNVWTBFDKB-UHFFFAOYSA-N 0 2 344.110 2.960 20 5 EFBDLN COCCOc1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000430285309 476804183 /nfs/dbraw/zinc/80/41/83/476804183.db2.gz SCAMBZCSUHRIAP-UHFFFAOYSA-N 0 2 346.339 2.507 20 5 EFBDLN Cc1ccc(-c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000446628998 476898175 /nfs/dbraw/zinc/89/81/75/476898175.db2.gz QRNWQESJJPNFLM-UHFFFAOYSA-N 0 2 348.340 2.687 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000366223928 476912890 /nfs/dbraw/zinc/91/28/90/476912890.db2.gz YTKSLUAZQQGTGF-RTHLEPHNSA-N 0 2 332.287 2.692 20 5 EFBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000408515778 476958046 /nfs/dbraw/zinc/95/80/46/476958046.db2.gz HZODIRVXRBGIFR-JTQLQIEISA-N 0 2 338.389 2.872 20 5 EFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC=C(c2ccccc2F)C1 ZINC000376088738 477168977 /nfs/dbraw/zinc/16/89/77/477168977.db2.gz MYFXUKRJPCWENJ-UHFFFAOYSA-N 0 2 328.299 2.979 20 5 EFBDLN Cc1cc(NCCCCCC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000416427285 477171168 /nfs/dbraw/zinc/17/11/68/477171168.db2.gz MEALEHTVKXQCSB-UHFFFAOYSA-N 0 2 344.371 2.839 20 5 EFBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000457919177 477256871 /nfs/dbraw/zinc/25/68/71/477256871.db2.gz MJBLKKUJFVUZAF-MRVPVSSYSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1ccc([N+](=O)[O-])cc1O ZINC000436530368 477504835 /nfs/dbraw/zinc/50/48/35/477504835.db2.gz BTOUDVSFUHQCSY-ZDUSSCGKSA-N 0 2 334.372 2.912 20 5 EFBDLN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639137 477540799 /nfs/dbraw/zinc/54/07/99/477540799.db2.gz NLUMGBKZRRNXLI-UHFFFAOYSA-N 0 2 345.336 2.597 20 5 EFBDLN CCc1[nH]nc(C(=O)Nc2cc(Cl)c(O)cc2F)c1[N+](=O)[O-] ZINC000436774533 477587453 /nfs/dbraw/zinc/58/74/53/477587453.db2.gz SRFXFZKXZOQZFO-UHFFFAOYSA-N 0 2 328.687 2.631 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](c2ccccc2)C1 ZINC000436868034 477619671 /nfs/dbraw/zinc/61/96/71/477619671.db2.gz GIUIVTZEJBYPGP-MRXNPFEDSA-N 0 2 328.324 2.514 20 5 EFBDLN COc1ccccc1O[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436875106 477621608 /nfs/dbraw/zinc/62/16/08/477621608.db2.gz WGOXNXQTMIKDEJ-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Oc1ccc(F)cc1 ZINC000436872885 477622108 /nfs/dbraw/zinc/62/21/08/477622108.db2.gz XUSYQBNDMPBHDZ-SNVBAGLBSA-N 0 2 334.303 2.637 20 5 EFBDLN CCC1(CC)[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1OC ZINC000436886833 477625340 /nfs/dbraw/zinc/62/53/40/477625340.db2.gz LXSDGABHKSMABW-CABCVRRESA-N 0 2 336.388 2.966 20 5 EFBDLN CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436897781 477629220 /nfs/dbraw/zinc/62/92/20/477629220.db2.gz UGHUHZBWKTYQQZ-MGPLVRAMSA-N 0 2 348.330 2.946 20 5 EFBDLN O=C(NCCOc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000436901539 477631490 /nfs/dbraw/zinc/63/14/90/477631490.db2.gz RDCBQZWPRFTAGV-UHFFFAOYSA-N 0 2 336.731 2.763 20 5 EFBDLN CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC000436947037 477644725 /nfs/dbraw/zinc/64/47/25/477644725.db2.gz LDLSKJNZVDSRSP-UHFFFAOYSA-N 0 2 332.312 2.960 20 5 EFBDLN COCCCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436951857 477645352 /nfs/dbraw/zinc/64/53/52/477645352.db2.gz UHFOIUOIVSRADM-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN COCCCOc1ccccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436946919 477646071 /nfs/dbraw/zinc/64/60/71/477646071.db2.gz CNUIOVVRLFDHKH-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955360 477647309 /nfs/dbraw/zinc/64/73/09/477647309.db2.gz FAEDNQRRQHBTCD-QLJPJBMISA-N 0 2 348.330 2.946 20 5 EFBDLN COc1ccc(OCCCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436957804 477647714 /nfs/dbraw/zinc/64/77/14/477647714.db2.gz AFYSJMDZPYEODA-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN COCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)o1 ZINC000436962808 477650536 /nfs/dbraw/zinc/65/05/36/477650536.db2.gz XVEDFWQWPMQCSQ-CYBMUJFWSA-N 0 2 334.328 2.709 20 5 EFBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc([S@](C)=O)cc1 ZINC000436963528 477650678 /nfs/dbraw/zinc/65/06/78/477650678.db2.gz ZOZUDQWTKZZYLP-ZZDSUILFSA-N 0 2 348.380 2.529 20 5 EFBDLN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436969838 477652434 /nfs/dbraw/zinc/65/24/34/477652434.db2.gz ZQQWQIAOKZMHOZ-IAGOWNOFSA-N 0 2 342.351 2.951 20 5 EFBDLN O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1O ZINC000436967123 477652536 /nfs/dbraw/zinc/65/25/36/477652536.db2.gz XGENGZUTCMXBCS-IAGOWNOFSA-N 0 2 342.351 2.951 20 5 EFBDLN Cn1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(-c2ccccc2)n1 ZINC000436976328 477654568 /nfs/dbraw/zinc/65/45/68/477654568.db2.gz BRRGIWYGBBEFAV-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000436973373 477654586 /nfs/dbraw/zinc/65/45/86/477654586.db2.gz SDEUXUOOUDGXLD-UHFFFAOYSA-N 0 2 336.731 2.892 20 5 EFBDLN Cc1cc(N2CC[NH2+]C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420283064 477661678 /nfs/dbraw/zinc/66/16/78/477661678.db2.gz SQVBETPWJDOCEB-UHFFFAOYSA-N 0 2 327.388 2.548 20 5 EFBDLN CCOc1ccc([C@@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000437204528 477683012 /nfs/dbraw/zinc/68/30/12/477683012.db2.gz VDOJFLDGIJUSCU-JKSUJKDBSA-N 0 2 342.351 2.985 20 5 EFBDLN Cc1cc(=NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[nH]nc1C ZINC000437361217 477699559 /nfs/dbraw/zinc/69/95/59/477699559.db2.gz CCSSRUUBGHQWET-UHFFFAOYSA-N 0 2 340.261 2.695 20 5 EFBDLN COC[C@H](C)Nc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000437620251 477728879 /nfs/dbraw/zinc/72/88/79/477728879.db2.gz LQTVSSPBIWCSJF-NSHDSACASA-N 0 2 345.355 3.000 20 5 EFBDLN CCCCc1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1 ZINC000451100855 477823555 /nfs/dbraw/zinc/82/35/55/477823555.db2.gz YOOUHFMGXWHCDJ-UHFFFAOYSA-N 0 2 336.373 2.528 20 5 EFBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000559257230 477970976 /nfs/dbraw/zinc/97/09/76/477970976.db2.gz RIMJYVTXYFKSCD-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nn1C(C)C ZINC000421175401 477996921 /nfs/dbraw/zinc/99/69/21/477996921.db2.gz PITZRPIXRKJAOL-UHFFFAOYSA-N 0 2 338.389 2.790 20 5 EFBDLN COc1cccc(O[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000440266292 478099085 /nfs/dbraw/zinc/09/90/85/478099085.db2.gz CALQFCGDBGSLNY-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN COC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000495553957 478227977 /nfs/dbraw/zinc/22/79/77/478227977.db2.gz KCXJGAGMJNVRBP-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc3ccccc32)cc1 ZINC000536182075 478243082 /nfs/dbraw/zinc/24/30/82/478243082.db2.gz LSOQHNOIMGHVOW-UHFFFAOYSA-N 0 2 329.337 2.944 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc3c2OCC3)c(C)cc1[N+](=O)[O-] ZINC000600661598 478458072 /nfs/dbraw/zinc/45/80/72/478458072.db2.gz YNBATYPNJBSYIT-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000600667766 478459668 /nfs/dbraw/zinc/45/96/68/478459668.db2.gz LAYTYPCMVZZLQA-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nnn1CC1CCCC1 ZINC000570896304 478469723 /nfs/dbraw/zinc/46/97/23/478469723.db2.gz QUPMUWVQYAURNL-UHFFFAOYSA-N 0 2 345.359 2.643 20 5 EFBDLN Cc1cc(NCc2cn3c([nH+]2)CCCC3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582184125 478534940 /nfs/dbraw/zinc/53/49/40/478534940.db2.gz NEZLSVZCQWDMQL-UHFFFAOYSA-N 0 2 330.344 2.746 20 5 EFBDLN O=C(NCc1ncc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1O ZINC000541861306 478598446 /nfs/dbraw/zinc/59/84/46/478598446.db2.gz PTCSBPPJSPACSP-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598306210 478756606 /nfs/dbraw/zinc/75/66/06/478756606.db2.gz MVVXTNXLOHSLSA-CJNGLKHVSA-N 0 2 334.372 2.722 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)c1 ZINC000583381729 478837716 /nfs/dbraw/zinc/83/77/16/478837716.db2.gz YXYRWTJJYQEBHM-UHFFFAOYSA-N 0 2 336.373 2.776 20 5 EFBDLN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000492145262 478847142 /nfs/dbraw/zinc/84/71/42/478847142.db2.gz MVPHDTKVQNBVJZ-KXFIGUGUSA-N 0 2 327.275 2.657 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598735192 478996598 /nfs/dbraw/zinc/99/65/98/478996598.db2.gz SLLCQANUKFBDNP-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C3CC3)nn2)c(C)c1[N+](=O)[O-] ZINC000598735178 478997075 /nfs/dbraw/zinc/99/70/75/478997075.db2.gz RLPWYFVDNVMTBR-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN O=C(Nc1c[nH+]c2n1CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000573448182 479071360 /nfs/dbraw/zinc/07/13/60/479071360.db2.gz FAKPPAQAUKWRGF-UHFFFAOYSA-N 0 2 336.735 2.739 20 5 EFBDLN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000574584803 479313990 /nfs/dbraw/zinc/31/39/90/479313990.db2.gz MBPKKGAUPOFYFV-UHFFFAOYSA-N 0 2 332.312 2.589 20 5 EFBDLN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000574584803 479313995 /nfs/dbraw/zinc/31/39/95/479313995.db2.gz MBPKKGAUPOFYFV-UHFFFAOYSA-N 0 2 332.312 2.589 20 5 EFBDLN CC(C)(C)OC(=O)CCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000611365172 479359594 /nfs/dbraw/zinc/35/95/94/479359594.db2.gz OOASICPGEIKSLQ-UHFFFAOYSA-N 0 2 338.360 2.542 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000611498152 479396060 /nfs/dbraw/zinc/39/60/60/479396060.db2.gz CUWXUIIGNUBUDU-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCO[C@@H](c2ccccc2)C1 ZINC000611535149 479408047 /nfs/dbraw/zinc/40/80/47/479408047.db2.gz PIWXNJCNBCYOKP-QGZVFWFLSA-N 0 2 342.351 2.904 20 5 EFBDLN COc1ccccc1OCCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000611535120 479408107 /nfs/dbraw/zinc/40/81/07/479408107.db2.gz GKIRQHGVWCNQCL-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN Cc1c[nH+]c(CCNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000593946268 479515412 /nfs/dbraw/zinc/51/54/12/479515412.db2.gz AZQXNZCVPPSREH-UHFFFAOYSA-N 0 2 329.356 2.888 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000604490501 479527434 /nfs/dbraw/zinc/52/74/34/479527434.db2.gz DVTLJBOADZESFG-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN Cc1cn2c(nc(C)c2CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000590403639 479640248 /nfs/dbraw/zinc/64/02/48/479640248.db2.gz ZDNSEPFDYKDJKF-UHFFFAOYSA-N 0 2 346.368 2.556 20 5 EFBDLN Cc1cn2c(nc(C)c2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000590403318 479640638 /nfs/dbraw/zinc/64/06/38/479640638.db2.gz OTZNZDFDJBTXNH-UHFFFAOYSA-N 0 2 346.368 2.556 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(O)c1 ZINC000590597662 479665562 /nfs/dbraw/zinc/66/55/62/479665562.db2.gz OLKQOSUODLRPAY-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN O=C1c2ccccc2CCC[C@@H]1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000619460866 479799876 /nfs/dbraw/zinc/79/98/76/479799876.db2.gz MFTLFBUQPJPQIB-INIZCTEOSA-N 0 2 345.376 2.956 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000619466210 479802135 /nfs/dbraw/zinc/80/21/35/479802135.db2.gz NHYCYDKOQYMQIS-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000619579078 479834726 /nfs/dbraw/zinc/83/47/26/479834726.db2.gz PNRJDRNFEKITQE-SQWLQELKSA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(N[C@H]1COc2c1cccc2Cl)c1ccc([N+](=O)[O-])cc1O ZINC000613986805 480160862 /nfs/dbraw/zinc/16/08/62/480160862.db2.gz ZMZIWOWUIHRNBB-LBPRGKRZSA-N 0 2 334.715 2.817 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000610657427 480355905 /nfs/dbraw/zinc/35/59/05/480355905.db2.gz STZOKPZOYITCBR-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000162746778 534200923 /nfs/dbraw/zinc/20/09/23/534200923.db2.gz YHTDEVPYVZYELN-TVQRCGJNSA-N 0 2 336.369 2.604 20 5 EFBDLN C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000162746509 534207671 /nfs/dbraw/zinc/20/76/71/534207671.db2.gz YHTDEVPYVZYELN-ZANVPECISA-N 0 2 336.369 2.604 20 5 EFBDLN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000180758490 521260755 /nfs/dbraw/zinc/26/07/55/521260755.db2.gz DXADBXMOWXQOTI-UHFFFAOYSA-N 0 2 349.368 2.692 20 5 EFBDLN CN(C)c1cccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000189354594 522263565 /nfs/dbraw/zinc/26/35/65/522263565.db2.gz WWGBYZXJWBIKME-UHFFFAOYSA-N 0 2 329.356 2.938 20 5 EFBDLN COCc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000119025687 523125687 /nfs/dbraw/zinc/12/56/87/523125687.db2.gz LALJTOPDPOVQKQ-UHFFFAOYSA-N 0 2 342.398 2.912 20 5 EFBDLN COc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000180741439 524212365 /nfs/dbraw/zinc/21/23/65/524212365.db2.gz GERGBLMEHWGAAE-UHFFFAOYSA-N 0 2 328.324 2.508 20 5 EFBDLN Cc1cccc(C)c1OCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060705406 524314494 /nfs/dbraw/zinc/31/44/94/524314494.db2.gz NJXJALICWBQDQS-UHFFFAOYSA-N 0 2 330.340 2.726 20 5 EFBDLN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N(C)c1ccccc1 ZINC000060647371 524718978 /nfs/dbraw/zinc/71/89/78/524718978.db2.gz CLVLBRTXMFIMMJ-LBPRGKRZSA-N 0 2 329.356 2.555 20 5 EFBDLN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000176720630 526079044 /nfs/dbraw/zinc/07/90/44/526079044.db2.gz IJBBORWAFKZZKU-UHFFFAOYSA-N 0 2 329.341 2.840 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000194744825 526630508 /nfs/dbraw/zinc/63/05/08/526630508.db2.gz SXRGTUZFRDXLJX-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@H](Nc2ccccc2)C1 ZINC000179477484 526630666 /nfs/dbraw/zinc/63/06/66/526630666.db2.gz DNUPTKXUXHENCT-CYBMUJFWSA-N 0 2 327.340 2.627 20 5 EFBDLN Cc1sc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000119271042 526885955 /nfs/dbraw/zinc/88/59/55/526885955.db2.gz IDVAWXXHFVDYQD-UHFFFAOYSA-N 0 2 344.418 2.618 20 5 EFBDLN CC(=O)Nc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000164091345 526926033 /nfs/dbraw/zinc/92/60/33/526926033.db2.gz DGPFGJLEGFEEBZ-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(=O)[nH]c2ccccc21 ZINC000120871012 527132257 /nfs/dbraw/zinc/13/22/57/527132257.db2.gz ZYUWAQAXTGNWKH-UHFFFAOYSA-N 0 2 325.280 2.807 20 5 EFBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000076687057 527495495 /nfs/dbraw/zinc/49/54/95/527495495.db2.gz DYXYLAIYNWHEQV-UHFFFAOYSA-N 0 2 327.275 2.771 20 5 EFBDLN CC1(C)N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)N(CC2CCCC2)C1=O ZINC000414196435 534986274 /nfs/dbraw/zinc/98/62/74/534986274.db2.gz ZRTFAGIIESHAKH-OAHLLOKOSA-N 0 2 333.388 2.700 20 5 EFBDLN COC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)cc1C ZINC000436893279 536559879 /nfs/dbraw/zinc/55/98/79/536559879.db2.gz MLMIZIFHAHXDIY-UHFFFAOYSA-N 0 2 344.323 2.956 20 5 EFBDLN COCCCOc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000356326123 536625717 /nfs/dbraw/zinc/62/57/17/536625717.db2.gz YBGIYIMGRURCKR-UHFFFAOYSA-N 0 2 346.339 2.968 20 5 EFBDLN CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345023639 536675016 /nfs/dbraw/zinc/67/50/16/536675016.db2.gz GRLHNJNATHXLPL-QFYYESIMSA-N 0 2 348.330 2.946 20 5 EFBDLN CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000169974683 564104101 /nfs/dbraw/zinc/10/41/01/564104101.db2.gz HOZMRDCGWUNSLE-QGZVFWFLSA-N 0 2 342.351 2.686 20 5 EFBDLN COc1ccc2c(c1)CCCN2C(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000754942536 575517292 /nfs/dbraw/zinc/51/72/92/575517292.db2.gz RCESMKNNNAGEDH-UHFFFAOYSA-N 0 2 328.324 2.902 20 5 EFBDLN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000754948590 575517658 /nfs/dbraw/zinc/51/76/58/575517658.db2.gz ITMXXDAJBDPERZ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(F)n2)cc1[N+](=O)[O-] ZINC000755079201 575538390 /nfs/dbraw/zinc/53/83/90/575538390.db2.gz DRTYCKQGKGVJDR-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2n[nH]c3ccccc32)c1 ZINC000758397343 575868755 /nfs/dbraw/zinc/86/87/55/575868755.db2.gz PHDYNTVBBJKLBY-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN C[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000759462800 575892284 /nfs/dbraw/zinc/89/22/84/575892284.db2.gz NXDLTJCFUKZGEV-QMMMGPOBSA-N 0 2 348.277 2.656 20 5 EFBDLN COC(=O)Nc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000760197770 575989695 /nfs/dbraw/zinc/98/96/95/575989695.db2.gz HFJMYBVCTYJLLS-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[nH]nc1C1CC1 ZINC000760319191 576004371 /nfs/dbraw/zinc/00/43/71/576004371.db2.gz GLQUOGJYFVQJEN-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN O=[N+]([O-])c1ccc(Cc2noc(-c3cccc(Cl)c3O)n2)nc1 ZINC000762326129 576289753 /nfs/dbraw/zinc/28/97/53/576289753.db2.gz UXAVXXVPXHEBRH-UHFFFAOYSA-N 0 2 332.703 2.990 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2O)cs1 ZINC000768882074 577313494 /nfs/dbraw/zinc/31/34/94/577313494.db2.gz NGVWDUZMSQFSSV-UHFFFAOYSA-N 0 2 334.762 2.816 20 5 EFBDLN CN(C)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000770857054 581142250 /nfs/dbraw/zinc/14/22/50/581142250.db2.gz PMUIRUBHWIBMSU-UHFFFAOYSA-N 0 2 329.356 2.938 20 5 EFBDLN COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc2c1O[C@H](C)C2 ZINC000770856547 581142270 /nfs/dbraw/zinc/14/22/70/581142270.db2.gz YVKLFNKONNGTRP-SECBINFHSA-N 0 2 344.323 2.885 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000770858133 581142330 /nfs/dbraw/zinc/14/23/30/581142330.db2.gz PYSOJRQPTWWPGJ-UHFFFAOYSA-N 0 2 342.267 2.942 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)s1 ZINC000771224121 581189495 /nfs/dbraw/zinc/18/94/95/581189495.db2.gz KTLNFIXIMLBSIG-UHFFFAOYSA-N 0 2 334.269 2.987 20 5 EFBDLN CC(C)n1cc2c(n1)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)CCC2 ZINC000773745172 581460493 /nfs/dbraw/zinc/46/04/93/581460493.db2.gz XSVXRGLOAHDIIE-AWEZNQCLSA-N 0 2 344.371 2.885 20 5 EFBDLN CO[C@@H]1Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2C1 ZINC000773908162 581473112 /nfs/dbraw/zinc/47/31/12/581473112.db2.gz CBTYUCGIDKQKBO-CQSZACIVSA-N 0 2 328.324 2.666 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091131465 601891565 /nfs/dbraw/zinc/89/15/65/601891565.db2.gz TYBTVIUUVOGBNL-LLVKDONJSA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000091131465 601891568 /nfs/dbraw/zinc/89/15/68/601891568.db2.gz TYBTVIUUVOGBNL-LLVKDONJSA-N 0 2 330.793 2.640 20 5 EFBDLN CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]2C ZINC001169025755 1272621974 /nfs/dbraw/zinc/62/19/74/1272621974.db2.gz UTFUHWNZPNVFMJ-HRCADAONSA-N 0 2 349.479 2.545 20 5 EFBDLN CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]2C ZINC001169025757 1272622549 /nfs/dbraw/zinc/62/25/49/1272622549.db2.gz UTFUHWNZPNVFMJ-OWCLPIDISA-N 0 2 349.479 2.545 20 5 EFBDLN CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H](O)c1ccccc1 ZINC000792568589 1278884966 /nfs/dbraw/zinc/88/49/66/1278884966.db2.gz DNBLRODUBCOMFD-NVXWUHKLSA-N 0 2 344.367 2.933 20 5 EFBDLN C[C@H](CC(=O)O[C@@H](c1ccccc1F)[C@H](C)[N+](=O)[O-])n1cc[nH+]c1 ZINC000845882330 1279905046 /nfs/dbraw/zinc/90/50/46/1279905046.db2.gz SRRJKLISPKCXFS-BFQNTYOBSA-N 0 2 335.335 2.923 20 5 EFBDLN Cc1c(Cl)nccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000811835715 1284665997 /nfs/dbraw/zinc/66/59/97/1284665997.db2.gz KXGATWVGBXUYKZ-UHFFFAOYSA-N 0 2 333.778 2.814 20 5 EFBDLN COc1ccccc1CN(OC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000812364989 1285076728 /nfs/dbraw/zinc/07/67/28/1285076728.db2.gz QCHUVEDUBGWKKK-UHFFFAOYSA-N 0 2 332.312 2.513 20 5 EFBDLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814650543 1286850287 /nfs/dbraw/zinc/85/02/87/1286850287.db2.gz UUQCBVDTXVFKCE-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN O=S(=O)(Nc1cccc2nc3ccccc3nc21)c1ccncc1 ZINC001190896619 1292370212 /nfs/dbraw/zinc/37/02/12/1292370212.db2.gz PAFCXYDGBIWPDW-UHFFFAOYSA-N 0 2 336.376 2.979 20 5 EFBDLN COC(=O)c1cc(C(=O)Nc2cc3cccnc3c3ncccc23)[nH]n1 ZINC001194288838 1293590987 /nfs/dbraw/zinc/59/09/87/1293590987.db2.gz OVSDTFZIQLAXFS-UHFFFAOYSA-N 0 2 347.334 2.545 20 5 EFBDLN COC(=O)c1cc(C(=O)Nc2cc3cccnc3c3ncccc23)n[nH]1 ZINC001194288838 1293590988 /nfs/dbraw/zinc/59/09/88/1293590988.db2.gz OVSDTFZIQLAXFS-UHFFFAOYSA-N 0 2 347.334 2.545 20 5 EFBDLN Cc1ncc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414376623 1294610825 /nfs/dbraw/zinc/61/08/25/1294610825.db2.gz UVVHPXFTYLWAQF-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN C[C@@H](Oc1nc(Cl)cc(=O)[nH]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001225558607 1311543014 /nfs/dbraw/zinc/54/30/14/1311543014.db2.gz GMPQKFKSNHLALR-ZCFIWIBFSA-N 0 2 339.691 2.613 20 5 EFBDLN COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cccc(O)c1[N+](=O)[O-] ZINC001225619771 1311554950 /nfs/dbraw/zinc/55/49/50/1311554950.db2.gz IMWKKADLQMPYDS-RWMBFGLXSA-N 0 2 343.376 2.524 20 5 EFBDLN CSc1nc(O[C@H](c2cccnc2)C2CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627648 1311833326 /nfs/dbraw/zinc/83/33/26/1311833326.db2.gz HPXLZSNLWZYRJX-NSHDSACASA-N 0 2 334.357 2.737 20 5 EFBDLN CSc1nc(OC2CC(C)(C)OC(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227627270 1311833366 /nfs/dbraw/zinc/83/33/66/1311833366.db2.gz FEGVMMXUWWEGDK-UHFFFAOYSA-N 0 2 343.405 2.927 20 5 EFBDLN CCO[C@H](C)COc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685426 1311981642 /nfs/dbraw/zinc/98/16/42/1311981642.db2.gz GTKRJUQPXALOBR-LLVKDONJSA-N 0 2 328.372 2.699 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H](C)c4cncnc4)c3nc2cc1C ZINC001228686280 1311981694 /nfs/dbraw/zinc/98/16/94/1311981694.db2.gz MSIYRZSRKZGVGT-NSHDSACASA-N 0 2 348.366 2.825 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H]4CCO[C@@H](C)C4)c3nc2cc1C ZINC001228687568 1311982557 /nfs/dbraw/zinc/98/25/57/1311982557.db2.gz XTLHYKVFEBALHZ-NWDGAFQWSA-N 0 2 340.383 2.842 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H](C)c4ncccn4)c3nc2cc1C ZINC001228686840 1311982695 /nfs/dbraw/zinc/98/26/95/1311982695.db2.gz QMLHAXOQSLCHFI-LLVKDONJSA-N 0 2 348.366 2.825 20 5 EFBDLN CC[C@H]1OC(=O)C(Oc2nc(C(F)(F)F)cc(O)c2[N+](=O)[O-])=C1C ZINC001228860650 1312011287 /nfs/dbraw/zinc/01/12/87/1312011287.db2.gz WSOQJAMYJFKJJZ-SSDOTTSWSA-N 0 2 348.233 2.702 20 5 EFBDLN COc1cccc2c1[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])CCO2 ZINC001228969759 1312029057 /nfs/dbraw/zinc/02/90/57/1312029057.db2.gz CBYHIUMWTQTVNQ-CYBMUJFWSA-N 0 2 333.296 2.917 20 5 EFBDLN COc1ccc2c(c1)CC[C@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C2 ZINC001228975055 1312030317 /nfs/dbraw/zinc/03/03/17/1312030317.db2.gz YCMNAGPVTPCNIR-AWEZNQCLSA-N 0 2 331.324 2.951 20 5 EFBDLN CCOC(=O)[C@H]1CC[C@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])CC1 ZINC001228974090 1312030354 /nfs/dbraw/zinc/03/03/54/1312030354.db2.gz PAKGCHBKFPWAJH-HOMQSWHASA-N 0 2 325.317 2.507 20 5 EFBDLN CCCSc1nc(O[C@H](C)c2cncnc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229791560 1312140638 /nfs/dbraw/zinc/14/06/38/1312140638.db2.gz LCMMXKALTRTTFA-MRVPVSSYSA-N 0 2 337.361 2.523 20 5 EFBDLN CCCSc1nc(O[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229790954 1312140773 /nfs/dbraw/zinc/14/07/73/1312140773.db2.gz DLIPJUOZABMYGW-VIFPVBQESA-N 0 2 343.405 2.929 20 5 EFBDLN CCCSc1nc(O[C@@H](C)C2CCOCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229796390 1312141860 /nfs/dbraw/zinc/14/18/60/1312141860.db2.gz KNLMFBNFUYKCLZ-VIFPVBQESA-N 0 2 343.405 2.786 20 5 EFBDLN COc1nc(C)ccc1-c1noc(-c2cc(O)ccc2[N+](=O)[O-])n1 ZINC001216682095 1314992577 /nfs/dbraw/zinc/99/25/77/1314992577.db2.gz DUIJZWVYCXZMIL-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN Cn1ncc2ccc(-c3noc(-c4cc(O)ccc4[N+](=O)[O-])n3)cc21 ZINC001216682089 1314992854 /nfs/dbraw/zinc/99/28/54/1314992854.db2.gz DJHWQQMDPOEBGU-UHFFFAOYSA-N 0 2 337.295 2.904 20 5 EFBDLN COc1cc(-c2nc(-c3cc(C)ccn3)no2)cc([N+](=O)[O-])c1O ZINC001216836932 1315013519 /nfs/dbraw/zinc/01/35/19/1315013519.db2.gz CDNZWMGLBMVQCA-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1cc(-c2nc(-c3ncccc3C)no2)cc([N+](=O)[O-])c1O ZINC001216837002 1315013612 /nfs/dbraw/zinc/01/36/12/1315013612.db2.gz GRLKQZVAVSXIOB-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN O=[N+]([O-])c1cccc(-c2[nH]c3ccc(N4CCOCC4)cc3[nH+]2)c1[O-] ZINC001251272243 1315336663 /nfs/dbraw/zinc/33/66/63/1315336663.db2.gz SEGXTGJGYYADHX-UHFFFAOYSA-N 0 2 340.339 2.680 20 5 EFBDLN COc1cccc2c1nc(-c1cc([N+](=O)[O-])c(OC)cc1O)n2C ZINC001251778399 1315377497 /nfs/dbraw/zinc/37/74/97/1315377497.db2.gz GWPZDVKVZXIJAV-UHFFFAOYSA-N 0 2 329.312 2.871 20 5 EFBDLN Cc1cncc([N+](=O)[O-])c1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001261208465 1316396583 /nfs/dbraw/zinc/39/65/83/1316396583.db2.gz UNYMSQFYRFWPMA-UHFFFAOYSA-N 0 2 331.357 2.645 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC2(CCCC2)C1 ZINC001262902529 1316501249 /nfs/dbraw/zinc/50/12/49/1316501249.db2.gz HUINQALLLSMNNE-UHFFFAOYSA-N 0 2 343.387 2.866 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CC[C@H](C2CC2)C1 ZINC001263056907 1316516204 /nfs/dbraw/zinc/51/62/04/1316516204.db2.gz ORANPQGLRXPJOT-ZDUSSCGKSA-N 0 2 343.387 2.815 20 5 EFBDLN Cc1cc(NC(=O)c2nc(-c3cc(C)c([N+](=O)[O-])cc3C)no2)no1 ZINC001337930491 1331617832 /nfs/dbraw/zinc/61/78/32/1331617832.db2.gz WQVCOCOZMOKGKQ-UHFFFAOYSA-N 0 2 343.299 2.810 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001338561573 1331716325 /nfs/dbraw/zinc/71/63/25/1331716325.db2.gz NTUHJKOVYSDRPX-AAEUAGOBSA-N 0 2 343.387 2.865 20 5 EFBDLN C[C@H]1CCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C[C@H]1C ZINC001351095053 1333179382 /nfs/dbraw/zinc/17/93/82/1333179382.db2.gz MIUPHPYFFSZHNH-WDEREUQCSA-N 0 2 331.376 2.578 20 5 EFBDLN C[C@@H]1CCCCN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001355661355 1334843428 /nfs/dbraw/zinc/84/34/28/1334843428.db2.gz AXFMVFBKSHRZQA-LLVKDONJSA-N 0 2 331.376 2.722 20 5 EFBDLN COCc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120179547 712976029 /nfs/dbraw/zinc/97/60/29/712976029.db2.gz AGGNWNDQVWMNSR-UHFFFAOYSA-N 0 2 328.371 2.604 20 5 EFBDLN COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)cc([N+](=O)[O-])c1O ZINC000255498574 715441066 /nfs/dbraw/zinc/44/10/66/715441066.db2.gz SEZDQORKIDIAQH-WCIBSUBMSA-N 0 2 330.271 2.941 20 5 EFBDLN CCCn1cc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000840916359 720949875 /nfs/dbraw/zinc/94/98/75/720949875.db2.gz TWMFVZMNMBALOM-UHFFFAOYSA-N 0 2 338.389 2.619 20 5 EFBDLN CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000897305726 724315080 /nfs/dbraw/zinc/31/50/80/724315080.db2.gz CHVDBESBKUVHIR-JTQLQIEISA-N 0 2 327.768 2.765 20 5 EFBDLN CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000897305726 724315082 /nfs/dbraw/zinc/31/50/82/724315082.db2.gz CHVDBESBKUVHIR-JTQLQIEISA-N 0 2 327.768 2.765 20 5 EFBDLN CCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000174745537 726296274 /nfs/dbraw/zinc/29/62/74/726296274.db2.gz GIRQVHBCPZDAKT-UHFFFAOYSA-N 0 2 338.389 2.619 20 5 EFBDLN CC(C)OC(=O)C[C@H](NC(=O)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000171238954 728524325 /nfs/dbraw/zinc/52/43/25/728524325.db2.gz XZYKWMSELXGHEU-JTQLQIEISA-N 0 2 348.277 2.656 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)nc1 ZINC000037326230 796442289 /nfs/dbraw/zinc/44/22/89/796442289.db2.gz KPFQJRUURVOJOJ-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000037326227 796442579 /nfs/dbraw/zinc/44/25/79/796442579.db2.gz GPEAARKLSCYIJK-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN C[C@](CC(=O)[O-])([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccccn1 ZINC001592316918 977697284 /nfs/dbraw/zinc/69/72/84/977697284.db2.gz GDGLJSDBOHOKHU-MRXNPFEDSA-N 0 2 333.319 2.609 20 5 EFBDLN O=C([O-])[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951989 982662525 /nfs/dbraw/zinc/66/25/25/982662525.db2.gz ZIHANNZYILRRHL-CYBMUJFWSA-N 0 2 330.315 2.918 20 5 EFBDLN O=C([O-])[C@@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])Cc2ccccc21 ZINC001594951989 982662530 /nfs/dbraw/zinc/66/25/30/982662530.db2.gz ZIHANNZYILRRHL-CYBMUJFWSA-N 0 2 330.315 2.918 20 5 EFBDLN CNc1cc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC001598676089 994846144 /nfs/dbraw/zinc/84/61/44/994846144.db2.gz MXIUGFXMYQQNDN-HWKANZROSA-N 0 2 328.328 2.741 20 5 EFBDLN Cn1c[nH+]c2cc(Nc3ccc(CC(=O)[O-])cc3[N+](=O)[O-])ccc21 ZINC001600994041 1095459200 /nfs/dbraw/zinc/45/92/00/1095459200.db2.gz ZVTQEFAQOHWSED-UHFFFAOYSA-N 0 2 326.312 2.852 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001601871315 1095946057 /nfs/dbraw/zinc/94/60/57/1095946057.db2.gz AXGZCAXAECRZJA-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001601871315 1095946064 /nfs/dbraw/zinc/94/60/64/1095946064.db2.gz AXGZCAXAECRZJA-MRXNPFEDSA-N 0 2 346.314 2.754 20 5 EFBDLN CC(C)c1ccc(C[N@@H+]2CCc3[nH]nc(C(=O)[O-])c3C2)cc1[N+](=O)[O-] ZINC001603995378 1096691129 /nfs/dbraw/zinc/69/11/29/1096691129.db2.gz KLBRHMFZQFBTLD-UHFFFAOYSA-N 0 2 344.371 2.698 20 5 EFBDLN CC(C)c1ccc(C[N@H+]2CCc3[nH]nc(C(=O)[O-])c3C2)cc1[N+](=O)[O-] ZINC001603995378 1096691133 /nfs/dbraw/zinc/69/11/33/1096691133.db2.gz KLBRHMFZQFBTLD-UHFFFAOYSA-N 0 2 344.371 2.698 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001608655796 1097979261 /nfs/dbraw/zinc/97/92/61/1097979261.db2.gz LZZJVNCSBXJVMM-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])[C@@H]1c2ccccc2OCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001608655796 1097979266 /nfs/dbraw/zinc/97/92/66/1097979266.db2.gz LZZJVNCSBXJVMM-INIZCTEOSA-N 0 2 346.314 2.754 20 5 EFBDLN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001608722452 1098000934 /nfs/dbraw/zinc/00/09/34/1098000934.db2.gz GNGRECJQFFPIOC-UHFFFAOYSA-N 0 2 330.340 2.777 20 5 EFBDLN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001608722452 1098000940 /nfs/dbraw/zinc/00/09/40/1098000940.db2.gz GNGRECJQFFPIOC-UHFFFAOYSA-N 0 2 330.340 2.777 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCc3c(O)cccc3C2)c1 ZINC001608914325 1098069311 /nfs/dbraw/zinc/06/93/11/1098069311.db2.gz LJGVCOXAKZSTDZ-UHFFFAOYSA-N 0 2 328.324 2.557 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC001608914325 1098069314 /nfs/dbraw/zinc/06/93/14/1098069314.db2.gz LJGVCOXAKZSTDZ-UHFFFAOYSA-N 0 2 328.324 2.557 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC001608914531 1098069817 /nfs/dbraw/zinc/06/98/17/1098069817.db2.gz VTFDWKYOASXGPQ-OAHLLOKOSA-N 0 2 334.372 2.684 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC001608914531 1098069821 /nfs/dbraw/zinc/06/98/21/1098069821.db2.gz VTFDWKYOASXGPQ-OAHLLOKOSA-N 0 2 334.372 2.684 20 5 EFBDLN Cn1cc(Cl)cc1C[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610117982 1098550976 /nfs/dbraw/zinc/55/09/76/1098550976.db2.gz JLDJRJKEJKIENI-UHFFFAOYSA-N 0 2 337.763 2.917 20 5 EFBDLN Cn1cc(Cl)cc1C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001610117982 1098550979 /nfs/dbraw/zinc/55/09/79/1098550979.db2.gz JLDJRJKEJKIENI-UHFFFAOYSA-N 0 2 337.763 2.917 20 5 EFBDLN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055545967 214328392 /nfs/dbraw/zinc/32/83/92/214328392.db2.gz KSAGOCGXQXFSMD-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccnc1Cl ZINC000037981174 213181569 /nfs/dbraw/zinc/18/15/69/213181569.db2.gz IXFHDAYIHWQRMV-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000130242766 223136310 /nfs/dbraw/zinc/13/63/10/223136310.db2.gz BMXBPOPPGCAKRD-AWEZNQCLSA-N 0 2 346.339 2.715 20 5 EFBDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000191810305 239311616 /nfs/dbraw/zinc/31/16/16/239311616.db2.gz VPTINQOZSYVCEY-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000176597834 239329480 /nfs/dbraw/zinc/32/94/80/239329480.db2.gz BFVXTZPOMLFDRK-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000192251326 240033351 /nfs/dbraw/zinc/03/33/51/240033351.db2.gz ZPWJAISHVCKDQN-UHFFFAOYSA-N 0 2 346.387 2.612 20 5 EFBDLN CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000194745091 240173774 /nfs/dbraw/zinc/17/37/74/240173774.db2.gz XKBVSLSBKIGQBS-SNVBAGLBSA-N 0 2 343.339 2.750 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccncc1C(F)(F)F ZINC000433383193 248055021 /nfs/dbraw/zinc/05/50/21/248055021.db2.gz ROMHBKMSDKPDCM-UHFFFAOYSA-N 0 2 327.218 2.967 20 5 EFBDLN CC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000434369287 248147420 /nfs/dbraw/zinc/14/74/20/248147420.db2.gz JQLGDWHGNZWNRQ-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN CCNC(=O)Nc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436632208 249558920 /nfs/dbraw/zinc/55/89/20/249558920.db2.gz CHRCEGQPVDSSTG-UHFFFAOYSA-N 0 2 344.327 2.694 20 5 EFBDLN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436955356 249638882 /nfs/dbraw/zinc/63/88/82/249638882.db2.gz FAEDNQRRQHBTCD-HWPZZCPQSA-N 0 2 348.330 2.946 20 5 EFBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1(Oc2ccccc2F)CC1 ZINC000442889843 250137711 /nfs/dbraw/zinc/13/77/11/250137711.db2.gz IRGNPZQPGDIJNH-UHFFFAOYSA-N 0 2 332.287 2.990 20 5 EFBDLN CN(CCOc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000095456785 218399778 /nfs/dbraw/zinc/39/97/78/218399778.db2.gz CVBNPSBCLIQENA-UHFFFAOYSA-N 0 2 334.303 2.591 20 5 EFBDLN Cc1csc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000344722751 142067053 /nfs/dbraw/zinc/06/70/53/142067053.db2.gz LJVRTDAILKPIAU-UHFFFAOYSA-N 0 2 330.362 2.582 20 5 EFBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N=c1ccc(C2CC2)n[nH]1 ZINC000344397271 145438447 /nfs/dbraw/zinc/43/84/47/145438447.db2.gz MWGDPXXTPXFRJR-UHFFFAOYSA-N 0 2 332.747 2.519 20 5 EFBDLN Cc1cnc(NCc2nnc(COc3ccccc3)[nH]2)c([N+](=O)[O-])c1 ZINC000351549018 146143822 /nfs/dbraw/zinc/14/38/22/146143822.db2.gz XBIXJMWFTBTDLT-UHFFFAOYSA-N 0 2 340.343 2.607 20 5 EFBDLN CCOc1cc(CSc2n[n-]c(=[NH2+])n2C(C)C)ccc1[N+](=O)[O-] ZINC000351904914 146231709 /nfs/dbraw/zinc/23/17/09/146231709.db2.gz RDFVQURECSTINY-UHFFFAOYSA-N 0 2 337.405 2.871 20 5 EFBDLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1SC ZINC000352012194 146263914 /nfs/dbraw/zinc/26/39/14/146263914.db2.gz ADZIPZJREDJCBC-HYXAFXHYSA-N 0 2 335.341 2.697 20 5 EFBDLN O=C(NCc1nc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000352037573 146272659 /nfs/dbraw/zinc/27/26/59/146272659.db2.gz WYNXBYJHYORKKF-UHFFFAOYSA-N 0 2 331.259 2.511 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000355780520 147061196 /nfs/dbraw/zinc/06/11/96/147061196.db2.gz ACDSJOVKAYTLCY-UHFFFAOYSA-N 0 2 344.295 2.688 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](c1ccccc1)n1cccn1 ZINC000356294493 147203250 /nfs/dbraw/zinc/20/32/50/147203250.db2.gz NNFRRGGGZVPFKY-INIZCTEOSA-N 0 2 338.323 2.725 20 5 EFBDLN CCC(=O)N[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000356324268 147212113 /nfs/dbraw/zinc/21/21/13/147212113.db2.gz UAFGWZDXDJJTIS-MRXNPFEDSA-N 0 2 343.339 2.506 20 5 EFBDLN Cc1ccc2c(c1)CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)O2 ZINC000356576048 147280983 /nfs/dbraw/zinc/28/09/83/147280983.db2.gz FBQMFPHIJGJPRM-INIZCTEOSA-N 0 2 328.324 2.941 20 5 EFBDLN Cc1ccc(-c2[nH][nH]c(=NC(=O)c3cc(O)cc([N+](=O)[O-])c3)c2C)o1 ZINC000356804212 147340059 /nfs/dbraw/zinc/34/00/59/147340059.db2.gz NRPSJBKOVFESFE-UHFFFAOYSA-N 0 2 342.311 2.575 20 5 EFBDLN CCc1nc([C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000368381202 150106363 /nfs/dbraw/zinc/10/63/63/150106363.db2.gz UMYZTNINRWPWBS-GFCCVEGCSA-N 0 2 346.343 2.613 20 5 EFBDLN Cc1onc(-c2cccnc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000368618220 150164512 /nfs/dbraw/zinc/16/45/12/150164512.db2.gz ZRIFEFNELOOFAA-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(Nc1cccc2c1OCCC2=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000373264336 151143889 /nfs/dbraw/zinc/14/38/89/151143889.db2.gz CNAJKNCIFFTCTN-UHFFFAOYSA-N 0 2 328.280 2.518 20 5 EFBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCC2 ZINC000184723276 286244681 /nfs/dbraw/zinc/24/46/81/286244681.db2.gz MHUKVAMOALQOLG-HUUCEWRRSA-N 0 2 334.372 2.720 20 5 EFBDLN O=C(N[C@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170015392 544856054 /nfs/dbraw/zinc/85/60/54/544856054.db2.gz URLBWOJVKYYXHQ-BBRMVZONSA-N 0 2 328.324 2.560 20 5 EFBDLN Cn1ccc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c21 ZINC000190855985 265240524 /nfs/dbraw/zinc/24/05/24/265240524.db2.gz KQNNVBPUGXQXBW-UHFFFAOYSA-N 0 2 331.353 2.887 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000191797674 265277432 /nfs/dbraw/zinc/27/74/32/265277432.db2.gz SQPVHRUUEBBADL-UHFFFAOYSA-N 0 2 340.332 2.857 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@H](COc2ccccc2)C1 ZINC000272776066 266378781 /nfs/dbraw/zinc/37/87/81/266378781.db2.gz DYVYJMKLHFALCD-CYBMUJFWSA-N 0 2 342.351 2.842 20 5 EFBDLN CCn1c2ccccc2nc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000105943807 273004898 /nfs/dbraw/zinc/00/48/98/273004898.db2.gz SJJWLMQFUCBHCN-UHFFFAOYSA-N 0 2 326.312 2.922 20 5 EFBDLN O=C(Nc1cccc(-c2nnco2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000157543606 273020783 /nfs/dbraw/zinc/02/07/83/273020783.db2.gz AKVQMVXSQDTOBL-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN Cc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000072913586 292721445 /nfs/dbraw/zinc/72/14/45/292721445.db2.gz KXARTBFYGHNRCO-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1 ZINC000131743985 293207352 /nfs/dbraw/zinc/20/73/52/293207352.db2.gz GXDRMYOOTHCTGH-UHFFFAOYSA-N 0 2 349.368 2.610 20 5 EFBDLN CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000132429390 293226756 /nfs/dbraw/zinc/22/67/56/293226756.db2.gz XOOOBEOMGHIPAR-UHFFFAOYSA-N 0 2 349.730 2.566 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000132692405 293234638 /nfs/dbraw/zinc/23/46/38/293234638.db2.gz JWDDWXBTUASELR-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])Nc1ccc2nn[nH]c2c1 ZINC000153242053 293367712 /nfs/dbraw/zinc/36/77/12/293367712.db2.gz MVPHDTKVQNBVJZ-QHHAFSJGSA-N 0 2 327.275 2.657 20 5 EFBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1cccnc1 ZINC000293661286 295022570 /nfs/dbraw/zinc/02/25/70/295022570.db2.gz FSDNIWUCAZOSKL-OAHLLOKOSA-N 0 2 327.340 2.919 20 5 EFBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1OCCc2sccc21 ZINC000294373218 295156068 /nfs/dbraw/zinc/15/60/68/295156068.db2.gz VPEODCXEABJMBX-PSLIRLAXSA-N 0 2 348.380 2.794 20 5 EFBDLN COc1ccc2c(c1)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCO2 ZINC000345043141 295273721 /nfs/dbraw/zinc/27/37/21/295273721.db2.gz FLBNZMHFXMOAAV-CYBMUJFWSA-N 0 2 344.323 2.563 20 5 EFBDLN COc1cccc2c1OCC[C@H]2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000363660312 295340391 /nfs/dbraw/zinc/34/03/91/295340391.db2.gz LSOLSNUFYOTNBV-GFCCVEGCSA-N 0 2 344.323 2.563 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]1[C@H]1CCCCC1=O ZINC000187807890 304533438 /nfs/dbraw/zinc/53/34/38/304533438.db2.gz ZOGZUYGWRJAROF-OCCSQVGLSA-N 0 2 332.356 2.664 20 5 EFBDLN C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)[C@H](c2ccccc2)CO1 ZINC000182065604 300188863 /nfs/dbraw/zinc/18/88/63/300188863.db2.gz UNFMEEIIYKGEQE-LRDDRELGSA-N 0 2 342.351 2.903 20 5 EFBDLN Cc1cc(Cl)cnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000359471516 301293991 /nfs/dbraw/zinc/29/39/91/301293991.db2.gz MGWHOXAWPUTIAE-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185805809 301492930 /nfs/dbraw/zinc/49/29/30/301492930.db2.gz BCUQOYXZOOZNGQ-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN O=C(N[C@@H]1CCCOc2ccccc21)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156138344 303851950 /nfs/dbraw/zinc/85/19/50/303851950.db2.gz ZKNKEPXGSVGGGM-CYBMUJFWSA-N 0 2 328.324 2.944 20 5 EFBDLN O=C(N[C@@H]1CCCc2c(O)cccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000355199798 303864645 /nfs/dbraw/zinc/86/46/45/303864645.db2.gz QHRGVNJFRNAOCU-CQSZACIVSA-N 0 2 328.324 2.813 20 5 EFBDLN O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000158244480 303877178 /nfs/dbraw/zinc/87/71/78/303877178.db2.gz UATBFLZSHUBDFK-GFCCVEGCSA-N 0 2 334.372 2.912 20 5 EFBDLN CCc1[nH]nc(C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-] ZINC000171366718 310747107 /nfs/dbraw/zinc/74/71/07/310747107.db2.gz HQSSEJABXZWVDO-UHFFFAOYSA-N 0 2 339.149 2.895 20 5 EFBDLN CC(C)[C@@H]1N(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCOCC2 ZINC000412762825 312009713 /nfs/dbraw/zinc/00/97/13/312009713.db2.gz WQRROUVFTKEEJJ-HNNXBMFYSA-N 0 2 334.372 2.578 20 5 EFBDLN CCOc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OC ZINC000437004194 312609151 /nfs/dbraw/zinc/60/91/51/312609151.db2.gz UXIBRJBFTPDCQB-UHFFFAOYSA-N 0 2 346.339 2.638 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCc2ccccc2CC1 ZINC000456317512 313038690 /nfs/dbraw/zinc/03/86/90/313038690.db2.gz ULOAHUUHEKKMFK-UHFFFAOYSA-N 0 2 326.352 2.932 20 5 EFBDLN COC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000494573302 314608190 /nfs/dbraw/zinc/60/81/90/314608190.db2.gz QPWRFBAYYANUSA-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN CSc1ncc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n1 ZINC000539971226 317735691 /nfs/dbraw/zinc/73/56/91/317735691.db2.gz KWVUCAXGKOIXGF-UHFFFAOYSA-N 0 2 340.748 2.718 20 5 EFBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000549721988 318180547 /nfs/dbraw/zinc/18/05/47/318180547.db2.gz ZITYIBKCUJLRMW-UHFFFAOYSA-N 0 2 345.340 2.708 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC=C(c2cccnc2)C1 ZINC000552060573 318240404 /nfs/dbraw/zinc/24/04/04/318240404.db2.gz AWYOHIGRJADGAO-UHFFFAOYSA-N 0 2 325.324 2.625 20 5 EFBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000555535388 318359902 /nfs/dbraw/zinc/35/99/02/318359902.db2.gz LSSQYCCQXLTWCS-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN O=C([O-])[C@H](c1ccsc1)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000566359548 319066990 /nfs/dbraw/zinc/06/69/90/319066990.db2.gz YDBWZRALGDDXAC-HNNXBMFYSA-N 0 2 347.396 2.604 20 5 EFBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1(CO)CCCC1 ZINC000566463407 319080181 /nfs/dbraw/zinc/08/01/81/319080181.db2.gz CCZCMEPLBSXDBJ-HNNXBMFYSA-N 0 2 336.388 2.608 20 5 EFBDLN CC(C)(C)Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000567870132 319220453 /nfs/dbraw/zinc/22/04/53/319220453.db2.gz UAOCXRPCGMVULQ-UHFFFAOYSA-N 0 2 338.389 2.707 20 5 EFBDLN Cc1cn2c([nH+]1)[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CCC2 ZINC000576588469 320030418 /nfs/dbraw/zinc/03/04/18/320030418.db2.gz RSCKXJNRPWRFPD-NSHDSACASA-N 0 2 330.344 2.787 20 5 EFBDLN CCc1ccnc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000182610336 323291347 /nfs/dbraw/zinc/29/13/47/323291347.db2.gz MNDBBTZDTHRAME-UHFFFAOYSA-N 0 2 338.327 2.590 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1[N+](=O)[O-] ZINC000580095928 324098656 /nfs/dbraw/zinc/09/86/56/324098656.db2.gz MDDWOPRGIIBHKE-UHFFFAOYSA-N 0 2 336.373 2.559 20 5 EFBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000582500198 324608679 /nfs/dbraw/zinc/60/86/79/324608679.db2.gz QAQSIKZCEWZEPN-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN Cc1cc(NC(=O)c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)no1 ZINC000612895064 449932040 /nfs/dbraw/zinc/93/20/40/449932040.db2.gz QTBIGRFGYXZDDU-UHFFFAOYSA-N 0 2 329.272 2.502 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)c(F)c1 ZINC000079262081 463200721 /nfs/dbraw/zinc/20/07/21/463200721.db2.gz GGWWBTMVMQZSCG-UHFFFAOYSA-N 0 2 343.361 2.869 20 5 EFBDLN C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184864737 473258041 /nfs/dbraw/zinc/25/80/41/473258041.db2.gz OUTGFNPHGVYXIE-LLVKDONJSA-N 0 2 328.324 2.692 20 5 EFBDLN O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171092525 473281170 /nfs/dbraw/zinc/28/11/70/473281170.db2.gz ZBRURRKLCPXZNE-DLBZAZTESA-N 0 2 342.351 2.951 20 5 EFBDLN CCc1ncsc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000161972156 473288075 /nfs/dbraw/zinc/28/80/75/473288075.db2.gz VSRKZIWOWVKLKT-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc(C2CC2)no1 ZINC000185008526 473299555 /nfs/dbraw/zinc/29/95/55/473299555.db2.gz OAIMZTPJQFFDKK-ZDUSSCGKSA-N 0 2 346.343 2.688 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000083956144 473378236 /nfs/dbraw/zinc/37/82/36/473378236.db2.gz GDQDYMBJSZXLIM-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000007054263 471588071 /nfs/dbraw/zinc/58/80/71/471588071.db2.gz MZTRUBIVTQDFJB-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000010279284 471732708 /nfs/dbraw/zinc/73/27/08/471732708.db2.gz HBXFNMFCBWAMOP-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000014257041 471866295 /nfs/dbraw/zinc/86/62/95/471866295.db2.gz PUYZEGBJFSACES-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000014256234 471866628 /nfs/dbraw/zinc/86/66/28/471866628.db2.gz YCCSKJWKOIUCAO-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN Cc1c(NS(=O)(=O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000014253967 471867140 /nfs/dbraw/zinc/86/71/40/471867140.db2.gz UWKWREYJKFHVJP-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CCc1cccc2c(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c[nH]c21 ZINC000033471623 471983867 /nfs/dbraw/zinc/98/38/67/471983867.db2.gz HQSRLFVKJNTBJF-SREVYHEPSA-N 0 2 326.312 2.598 20 5 EFBDLN Cc1cccc(OCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000035336362 471996152 /nfs/dbraw/zinc/99/61/52/471996152.db2.gz DBYGTDQKDOZGGB-UHFFFAOYSA-N 0 2 330.340 2.808 20 5 EFBDLN COc1ccc(OCCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000067146018 471997355 /nfs/dbraw/zinc/99/73/55/471997355.db2.gz DMOYYMLZUUXSPP-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000025309112 472089466 /nfs/dbraw/zinc/08/94/66/472089466.db2.gz RILVWOQMULRXNR-INIZCTEOSA-N 0 2 343.339 2.513 20 5 EFBDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000042005262 472104941 /nfs/dbraw/zinc/10/49/41/472104941.db2.gz MKDAXVZZFAQVHA-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000055598501 472209370 /nfs/dbraw/zinc/20/93/70/472209370.db2.gz UHEWSUUDGMWBMV-UHFFFAOYSA-N 0 2 344.295 2.997 20 5 EFBDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C ZINC000055615391 472211739 /nfs/dbraw/zinc/21/17/39/472211739.db2.gz KFHAEYAPFJZBHE-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN Cc1nn(-c2ccccc2)c(C)c1Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000076267532 472309772 /nfs/dbraw/zinc/30/97/72/472309772.db2.gz ZURQKRXLYCPSNZ-UHFFFAOYSA-N 0 2 325.332 2.513 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000032086171 472414027 /nfs/dbraw/zinc/41/40/27/472414027.db2.gz ROHFXMIABXLAFP-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cn1 ZINC000077004338 472446139 /nfs/dbraw/zinc/44/61/39/472446139.db2.gz JTAAFRWURAXGGC-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C ZINC000032754980 472464349 /nfs/dbraw/zinc/46/43/49/472464349.db2.gz WKHCLAJDEHZUSC-UHFFFAOYSA-N 0 2 349.368 2.662 20 5 EFBDLN COC(=O)c1ccc2c(c1)nc(-c1ccc([N+](=O)[O-])c(O)c1)n2C ZINC000154972053 472490774 /nfs/dbraw/zinc/49/07/74/472490774.db2.gz ODQZVHJWRLSZEA-UHFFFAOYSA-N 0 2 327.296 2.641 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2C)c([N+](=O)[O-])c1 ZINC000071826230 472575617 /nfs/dbraw/zinc/57/56/17/472575617.db2.gz UHYAEBKAJRRZOG-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)o1 ZINC000103201891 472617719 /nfs/dbraw/zinc/61/77/19/472617719.db2.gz DSYVUQMUYTYWIR-UHFFFAOYSA-N 0 2 333.691 2.879 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1F ZINC000103202105 472618008 /nfs/dbraw/zinc/61/80/08/472618008.db2.gz UCVSFVTWXRNIFT-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000072758313 472710991 /nfs/dbraw/zinc/71/09/91/472710991.db2.gz BKJAPYKPAZWCLJ-UHFFFAOYSA-N 0 2 348.258 2.519 20 5 EFBDLN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000078762788 472765541 /nfs/dbraw/zinc/76/55/41/472765541.db2.gz JAGPEHPODZHWKU-OAHLLOKOSA-N 0 2 333.388 2.844 20 5 EFBDLN Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2n[nH]cc21 ZINC000063635646 472796723 /nfs/dbraw/zinc/79/67/23/472796723.db2.gz UHKPUDNCGRNAHE-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN O=C(NCCc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000157461220 472822550 /nfs/dbraw/zinc/82/25/50/472822550.db2.gz WRGXNUHGPUBGEL-UHFFFAOYSA-N 0 2 343.364 2.883 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nc2ccccc2[nH]1 ZINC000157562432 472832732 /nfs/dbraw/zinc/83/27/32/472832732.db2.gz ANEBVGTYNKOKLD-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN CC[S@@](=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546039 472932666 /nfs/dbraw/zinc/93/26/66/472932666.db2.gz YMQVWQHXWVNCSK-QHCPKHFHSA-N 0 2 334.353 2.680 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000158572554 472948488 /nfs/dbraw/zinc/94/84/88/472948488.db2.gz KVBCZUCQAXQWSW-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1F ZINC000158633317 472955334 /nfs/dbraw/zinc/95/53/34/472955334.db2.gz GXCTYEUXLUFNPO-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCc1onc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000134757233 472962843 /nfs/dbraw/zinc/96/28/43/472962843.db2.gz YRAXJCWDPRCYCB-UHFFFAOYSA-N 0 2 339.373 2.871 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066249866 473065185 /nfs/dbraw/zinc/06/51/85/473065185.db2.gz NZIIJAPUEIGSET-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN CCC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000135394667 473066440 /nfs/dbraw/zinc/06/64/40/473066440.db2.gz RUFWBJOKAJLFND-UHFFFAOYSA-N 0 2 334.353 2.988 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000159942734 473074096 /nfs/dbraw/zinc/07/40/96/473074096.db2.gz ROHDEPQJJKHMSH-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000109625924 473112529 /nfs/dbraw/zinc/11/25/29/473112529.db2.gz PWJHTJMLQPUCPC-UHFFFAOYSA-N 0 2 345.265 2.910 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000093929361 473163670 /nfs/dbraw/zinc/16/36/70/473163670.db2.gz YCBVVQUFCJTESM-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)CCc1ccccc1 ZINC000093929341 473163934 /nfs/dbraw/zinc/16/39/34/473163934.db2.gz PPPCIQOUWCNXAM-UHFFFAOYSA-N 0 2 336.369 2.588 20 5 EFBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F ZINC000093930909 473164028 /nfs/dbraw/zinc/16/40/28/473164028.db2.gz YNTHDBBFWTZBSF-UHFFFAOYSA-N 0 2 340.332 2.681 20 5 EFBDLN Cc1cc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(C)o1 ZINC000123768239 473183119 /nfs/dbraw/zinc/18/31/19/473183119.db2.gz IFMXKJRFIXYMAS-VIFPVBQESA-N 0 2 342.348 2.983 20 5 EFBDLN Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185614952 473469146 /nfs/dbraw/zinc/46/91/46/473469146.db2.gz KTSUIEYOMYFDJF-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186141431 473599635 /nfs/dbraw/zinc/59/96/35/473599635.db2.gz QXMGHBQOYVNDPD-UHFFFAOYSA-N 0 2 344.367 2.714 20 5 EFBDLN CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000192247856 473655585 /nfs/dbraw/zinc/65/55/85/473655585.db2.gz PMPVDLWQWHSBFR-UHFFFAOYSA-N 0 2 346.387 2.612 20 5 EFBDLN Cc1nc(C)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000179371480 473681670 /nfs/dbraw/zinc/68/16/70/473681670.db2.gz YSHSGUQZUAXGFX-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN CCN(Cc1ccc(OC)cc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179437651 473687764 /nfs/dbraw/zinc/68/77/64/473687764.db2.gz LBWFDOMWKVDZIZ-UHFFFAOYSA-N 0 2 330.340 2.971 20 5 EFBDLN O=C(NCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000179455488 473688697 /nfs/dbraw/zinc/68/86/97/473688697.db2.gz PRCKCUBVSCYQTI-UHFFFAOYSA-N 0 2 345.336 2.947 20 5 EFBDLN CCc1ccc([C@H](COC)NC(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000179515955 473692282 /nfs/dbraw/zinc/69/22/82/473692282.db2.gz RDRXTPFOOQEFJF-ZDUSSCGKSA-N 0 2 334.328 2.573 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000172904087 473700404 /nfs/dbraw/zinc/70/04/04/473700404.db2.gz JKTOOIVEIYYQJA-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN CC(C)c1scnc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000288167162 473864212 /nfs/dbraw/zinc/86/42/12/473864212.db2.gz IBHGYFXAOMFYJM-UHFFFAOYSA-N 0 2 327.387 2.976 20 5 EFBDLN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccnc1 ZINC000187787975 473921146 /nfs/dbraw/zinc/92/11/46/473921146.db2.gz XXBDYKBUUXEGJR-OAHLLOKOSA-N 0 2 329.356 2.865 20 5 EFBDLN COc1ccccc1[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274765570 473949034 /nfs/dbraw/zinc/94/90/34/473949034.db2.gz YLYZLAFXVFRCBN-GFCCVEGCSA-N 0 2 342.351 2.939 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1C ZINC000181977519 474072336 /nfs/dbraw/zinc/07/23/36/474072336.db2.gz OBMFSQGVBNFWNN-UHFFFAOYSA-N 0 2 330.340 2.890 20 5 EFBDLN COCc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000181991660 474076567 /nfs/dbraw/zinc/07/65/67/474076567.db2.gz GLQNIVMGSQYIHY-UHFFFAOYSA-N 0 2 334.303 2.516 20 5 EFBDLN O=C(N[C@@H]1CCOc2ccc(F)cc21)c1cc([N+](=O)[O-])ccc1O ZINC000181998631 474077330 /nfs/dbraw/zinc/07/73/30/474077330.db2.gz WSZUMTPKPNRDNJ-CYBMUJFWSA-N 0 2 332.287 2.693 20 5 EFBDLN O=C(NCc1coc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000182047604 474088208 /nfs/dbraw/zinc/08/82/08/474088208.db2.gz XCIJMPRQAPPWCM-UHFFFAOYSA-N 0 2 339.307 2.885 20 5 EFBDLN CO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000182068173 474092077 /nfs/dbraw/zinc/09/20/77/474092077.db2.gz OIXQLZDWFROBGE-OAHLLOKOSA-N 0 2 334.303 2.557 20 5 EFBDLN CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182138505 474108620 /nfs/dbraw/zinc/10/86/20/474108620.db2.gz QOLUMZVUMVLJDK-HNNXBMFYSA-N 0 2 344.367 2.714 20 5 EFBDLN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182150647 474110057 /nfs/dbraw/zinc/11/00/57/474110057.db2.gz RUAAEZCOMJAOAB-NOZJJQNGSA-N 0 2 336.369 2.604 20 5 EFBDLN CCc1[nH]c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1C(=O)OC ZINC000270422368 474113267 /nfs/dbraw/zinc/11/32/67/474113267.db2.gz SAKYNOIWNHUUGQ-UHFFFAOYSA-N 0 2 347.327 2.538 20 5 EFBDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000270727439 474238122 /nfs/dbraw/zinc/23/81/22/474238122.db2.gz QEETUNTYMMVPLD-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C(=O)N(C)C ZINC000182830160 474266608 /nfs/dbraw/zinc/26/66/08/474266608.db2.gz CPDTZEPCYZBLQY-UHFFFAOYSA-N 0 2 343.339 2.563 20 5 EFBDLN Cc1nc(C)c(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)s1 ZINC000271027479 474374995 /nfs/dbraw/zinc/37/49/95/474374995.db2.gz AQKTYBLTPWRUCN-UHFFFAOYSA-N 0 2 345.377 2.916 20 5 EFBDLN Cc1cccc(OCCN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184675621 474580325 /nfs/dbraw/zinc/58/03/25/474580325.db2.gz DMFPETASOCFDHN-UHFFFAOYSA-N 0 2 330.340 2.760 20 5 EFBDLN Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc2)n[nH]1 ZINC000184721806 474594611 /nfs/dbraw/zinc/59/46/11/474594611.db2.gz VDLGRNRXJCZGKP-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C12CCC2 ZINC000184723257 474595035 /nfs/dbraw/zinc/59/50/35/474595035.db2.gz MHUKVAMOALQOLG-GJZGRUSLSA-N 0 2 334.372 2.720 20 5 EFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000315678011 474872529 /nfs/dbraw/zinc/87/25/29/474872529.db2.gz LJNPPBCOBSGFQA-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCO[C@H](c2ccccc2)C1 ZINC000609241015 480131260 /nfs/dbraw/zinc/13/12/60/480131260.db2.gz GXSBDCOQARSKAN-KRWDZBQOSA-N 0 2 342.351 2.904 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cncc(F)c2)c1 ZINC000337311706 474884299 /nfs/dbraw/zinc/88/42/99/474884299.db2.gz WQPSENRSUSCZAL-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN COc1ccccc1OCCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613934606 480149835 /nfs/dbraw/zinc/14/98/35/480149835.db2.gz FOQFVAILOVZWAG-UHFFFAOYSA-N 0 2 346.339 2.508 20 5 EFBDLN O=C(NCc1nc2ccc(Cl)cc2[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613950735 480153151 /nfs/dbraw/zinc/15/31/51/480153151.db2.gz GSJJWEGMLAICTC-UHFFFAOYSA-N 0 2 346.730 2.760 20 5 EFBDLN O=C(NCCc1ccc(F)c(F)c1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000345482915 475214162 /nfs/dbraw/zinc/21/41/62/475214162.db2.gz JFLJOHOWETWJQO-UHFFFAOYSA-N 0 2 340.257 2.690 20 5 EFBDLN CC[C@H](CC(F)(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000354677966 475333535 /nfs/dbraw/zinc/33/35/35/475333535.db2.gz WDCNEXLIDUHSCO-SSDOTTSWSA-N 0 2 344.286 2.743 20 5 EFBDLN COC(=O)c1cc(F)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1F ZINC000358003287 475326535 /nfs/dbraw/zinc/32/65/35/475326535.db2.gz VCKZGPQAYVKYMH-UHFFFAOYSA-N 0 2 326.211 2.505 20 5 EFBDLN CCc1oncc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000337796556 475331106 /nfs/dbraw/zinc/33/11/06/475331106.db2.gz DNEQCMNZDHQOAV-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1 ZINC000342036374 475522319 /nfs/dbraw/zinc/52/23/19/475522319.db2.gz DIQKTYYTULXGLM-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000361643601 475625485 /nfs/dbraw/zinc/62/54/85/475625485.db2.gz IDMVWWWEYASUOH-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(-c3ccccc3)n2)c1 ZINC000355109151 475673224 /nfs/dbraw/zinc/67/32/24/475673224.db2.gz PRGHVRXGFWMJQK-UHFFFAOYSA-N 0 2 344.352 2.581 20 5 EFBDLN Cc1nc([C@H]2CCC[N@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000355172495 475716431 /nfs/dbraw/zinc/71/64/31/475716431.db2.gz OLGRDYSRTOUTBY-QZDDGCDVSA-N 0 2 327.388 2.914 20 5 EFBDLN Cc1nc([C@H]2CCC[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000355172495 475716436 /nfs/dbraw/zinc/71/64/36/475716436.db2.gz OLGRDYSRTOUTBY-QZDDGCDVSA-N 0 2 327.388 2.914 20 5 EFBDLN Cc1c(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)cccc1[N+](=O)[O-] ZINC000361765117 475733690 /nfs/dbraw/zinc/73/36/90/475733690.db2.gz JPYQHKAFQMGMNR-UHFFFAOYSA-N 0 2 349.416 2.796 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000361776770 475743399 /nfs/dbraw/zinc/74/33/99/475743399.db2.gz OLYPMPAWJWBBPX-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000361784265 475749333 /nfs/dbraw/zinc/74/93/33/475749333.db2.gz ZZWJRQXKSLTYHF-UHFFFAOYSA-N 0 2 346.315 2.550 20 5 EFBDLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000355267004 475790334 /nfs/dbraw/zinc/79/03/34/475790334.db2.gz OOHYRBJSRITCCH-UHFFFAOYSA-N 0 2 346.315 2.673 20 5 EFBDLN O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348770438 475860145 /nfs/dbraw/zinc/86/01/45/475860145.db2.gz MEMVEUYJUDJNSA-DYVFJYSZSA-N 0 2 342.351 2.808 20 5 EFBDLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000358793325 475942195 /nfs/dbraw/zinc/94/21/95/475942195.db2.gz YDCZFSHVIPBXJD-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000340544004 476098209 /nfs/dbraw/zinc/09/82/09/476098209.db2.gz FAJWTNRIDBDARL-LLVKDONJSA-N 0 2 344.323 2.909 20 5 EFBDLN CC(C)COc1ncccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000340545738 476099821 /nfs/dbraw/zinc/09/98/21/476099821.db2.gz WDWNEMJLGJFVKS-UHFFFAOYSA-N 0 2 331.328 2.983 20 5 EFBDLN CCc1ncc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000359098185 476186916 /nfs/dbraw/zinc/18/69/16/476186916.db2.gz FSZNTFWCSWKJNL-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000353976417 476344242 /nfs/dbraw/zinc/34/42/42/476344242.db2.gz QVZNTZDNHBAIFQ-UHFFFAOYSA-N 0 2 343.126 2.837 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cncc(Cl)c2)ccc1[N+](=O)[O-] ZINC000354200558 476496145 /nfs/dbraw/zinc/49/61/45/476496145.db2.gz PBJJUNCZMGVGPH-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN Cc1n[nH]c(=NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000354301458 476571788 /nfs/dbraw/zinc/57/17/88/476571788.db2.gz IDVGOGYXJFZVEP-UHFFFAOYSA-N 0 2 347.322 2.719 20 5 EFBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000370470319 476825929 /nfs/dbraw/zinc/82/59/29/476825929.db2.gz QYHFNDVFLNJEAP-GXFFZTMASA-N 0 2 328.324 2.595 20 5 EFBDLN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000430394377 476826204 /nfs/dbraw/zinc/82/62/04/476826204.db2.gz OHXUNUPIORNTDN-UHFFFAOYSA-N 0 2 339.348 2.855 20 5 EFBDLN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000447064411 476948539 /nfs/dbraw/zinc/94/85/39/476948539.db2.gz XAVVUZWAPDELJX-UHFFFAOYSA-N 0 2 332.360 2.593 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(F)(c2cccnc2)CC1 ZINC000375900395 477071192 /nfs/dbraw/zinc/07/11/92/477071192.db2.gz HOLUEUHGJYHTLA-UHFFFAOYSA-N 0 2 345.330 2.796 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nc2c(s1)CCC2 ZINC000457908881 477252723 /nfs/dbraw/zinc/25/27/23/477252723.db2.gz DOUJHNMFRGYEEA-QMMMGPOBSA-N 0 2 333.369 2.737 20 5 EFBDLN O=C(NCC1(c2ccccn2)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000376398324 477314967 /nfs/dbraw/zinc/31/49/67/477314967.db2.gz WQBJRDPQBXLDQL-UHFFFAOYSA-N 0 2 327.340 2.547 20 5 EFBDLN O=C(NC[C@@H]1CCC2(CCCCC2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000436530399 477504693 /nfs/dbraw/zinc/50/46/93/477504693.db2.gz BWLQVRVKOIIEKA-ZDUSSCGKSA-N 0 2 334.372 2.912 20 5 EFBDLN COCCN(C[C@@H]1CC=CCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436612949 477533483 /nfs/dbraw/zinc/53/34/83/477533483.db2.gz ZESLUYNSALFUNJ-CYBMUJFWSA-N 0 2 334.372 2.745 20 5 EFBDLN Cc1onc(-c2ccncc2)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000367494658 477545042 /nfs/dbraw/zinc/54/50/42/477545042.db2.gz GIPGEFMGHBRGHG-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1Cc2ccc(O)cc2C2(CC2)C1 ZINC000436657709 477547849 /nfs/dbraw/zinc/54/78/49/477547849.db2.gz WIEBTNOLNAQLCB-UHFFFAOYSA-N 0 2 340.335 2.694 20 5 EFBDLN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1ccc(F)cc1 ZINC000436670352 477553579 /nfs/dbraw/zinc/55/35/79/477553579.db2.gz QFLICWCOGRPHTG-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Oc1cccc(F)c1 ZINC000436672741 477554282 /nfs/dbraw/zinc/55/42/82/477554282.db2.gz ZVLIRIQKJDBZJF-JTQLQIEISA-N 0 2 334.303 2.637 20 5 EFBDLN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436670680 477554604 /nfs/dbraw/zinc/55/46/04/477554604.db2.gz RXWLEUHCGQLNJB-XHDPSFHLSA-N 0 2 336.388 2.872 20 5 EFBDLN Cc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)c(O)c1 ZINC000436676478 477555595 /nfs/dbraw/zinc/55/55/95/477555595.db2.gz PTEMPKKIPCISLB-UHFFFAOYSA-N 0 2 338.323 2.673 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2n[nH]cc2c1 ZINC000436700872 477563380 /nfs/dbraw/zinc/56/33/80/477563380.db2.gz YBWBVMHGBGYPCR-VIFPVBQESA-N 0 2 326.312 2.668 20 5 EFBDLN COc1cccc(C2(NC(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000436864523 477618325 /nfs/dbraw/zinc/61/83/25/477618325.db2.gz NBLHRJZGYWBVRH-UHFFFAOYSA-N 0 2 328.324 2.728 20 5 EFBDLN O=C(NCc1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436868401 477619585 /nfs/dbraw/zinc/61/95/85/477619585.db2.gz IPGWJTKTBNCWRD-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436874326 477621271 /nfs/dbraw/zinc/62/12/71/477621271.db2.gz SUJBEVDWPSQBRQ-XHDPSFHLSA-N 0 2 336.388 2.872 20 5 EFBDLN COc1cccc2c1CC[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436888479 477626482 /nfs/dbraw/zinc/62/64/82/477626482.db2.gz SLHZXQCZJCWNLI-CQSZACIVSA-N 0 2 328.324 2.726 20 5 EFBDLN CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894007 477627472 /nfs/dbraw/zinc/62/74/72/477627472.db2.gz QASACQKTRJVXOY-MGPLVRAMSA-N 0 2 348.330 2.946 20 5 EFBDLN CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436897779 477628588 /nfs/dbraw/zinc/62/85/88/477628588.db2.gz UGHUHZBWKTYQQZ-HWPZZCPQSA-N 0 2 348.330 2.946 20 5 EFBDLN CC(C)n1nc2c(c1NC(=O)c1ccc(O)c([N+](=O)[O-])c1)CCC2 ZINC000436910770 477633325 /nfs/dbraw/zinc/63/33/25/477633325.db2.gz DLBDFEQBGWJYAM-UHFFFAOYSA-N 0 2 330.344 2.819 20 5 EFBDLN CN(C)c1ccccc1CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436920686 477635751 /nfs/dbraw/zinc/63/57/51/477635751.db2.gz AGOCLDNBJLTXDC-UHFFFAOYSA-N 0 2 329.356 2.639 20 5 EFBDLN COCCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436950583 477644761 /nfs/dbraw/zinc/64/47/61/477644761.db2.gz NFWNLBGXNQYJDM-UHFFFAOYSA-N 0 2 332.312 2.578 20 5 EFBDLN O=C(Nc1cccnc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436958769 477649395 /nfs/dbraw/zinc/64/93/95/477649395.db2.gz KLBCUEPZDBWRCI-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc([S@@](C)=O)cc1 ZINC000436963520 477650416 /nfs/dbraw/zinc/65/04/16/477650416.db2.gz ZOZUDQWTKZZYLP-CCGUKBGLSA-N 0 2 348.380 2.529 20 5 EFBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc([S@](C)=O)cc1 ZINC000436963522 477651286 /nfs/dbraw/zinc/65/12/86/477651286.db2.gz ZOZUDQWTKZZYLP-JUZXBQNTSA-N 0 2 348.380 2.529 20 5 EFBDLN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377117068 477652038 /nfs/dbraw/zinc/65/20/38/477652038.db2.gz ZXDYINVGHLYNNK-AYVTZFPOSA-N 0 2 332.287 2.692 20 5 EFBDLN Cc1nn(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000436966067 477652761 /nfs/dbraw/zinc/65/27/61/477652761.db2.gz UQNJQQTVXMWTKL-UHFFFAOYSA-N 0 2 345.142 2.901 20 5 EFBDLN O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1O ZINC000436974514 477653778 /nfs/dbraw/zinc/65/37/78/477653778.db2.gz ZJLLSEJPHACXOX-NOZJJQNGSA-N 0 2 334.278 2.865 20 5 EFBDLN O=C(N[C@H]1CCCc2c(O)cccc21)c1ccc([N+](=O)[O-])cc1O ZINC000436998672 477660229 /nfs/dbraw/zinc/66/02/29/477660229.db2.gz PPPPOHVOTGJUPX-AWEZNQCLSA-N 0 2 328.324 2.813 20 5 EFBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3c(n2)CCC3)c1 ZINC000451095286 477820585 /nfs/dbraw/zinc/82/05/85/477820585.db2.gz KGVHOQPKNXDOGB-UHFFFAOYSA-N 0 2 347.396 2.896 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCC2 ZINC000421168511 477993554 /nfs/dbraw/zinc/99/35/54/477993554.db2.gz YHWXGIDLFVJZQJ-UHFFFAOYSA-N 0 2 348.380 2.893 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c[nH]nc2C2CC2)c1C ZINC000520611853 478330386 /nfs/dbraw/zinc/33/03/86/478330386.db2.gz SWXHYRJVWIAPBH-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c2OCC3)c1[N+](=O)[O-] ZINC000600658407 478457640 /nfs/dbraw/zinc/45/76/40/478457640.db2.gz DWELNTSMYGZVFW-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)c1 ZINC000581884314 478459584 /nfs/dbraw/zinc/45/95/84/478459584.db2.gz DWVAWDRCIWCFRX-UHFFFAOYSA-N 0 2 333.369 2.669 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000594730805 478518507 /nfs/dbraw/zinc/51/85/07/478518507.db2.gz PPUZSLLAHNKZQY-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN CC(C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)c1ccccc1 ZINC000582514355 478616130 /nfs/dbraw/zinc/61/61/30/478616130.db2.gz HKEIYAXJWLOBJQ-UHFFFAOYSA-N 0 2 328.324 2.692 20 5 EFBDLN CCc1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000582965723 478730788 /nfs/dbraw/zinc/73/07/88/478730788.db2.gz XHQYBMKFTBGKID-UHFFFAOYSA-N 0 2 338.389 2.735 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000598300189 478752942 /nfs/dbraw/zinc/75/29/42/478752942.db2.gz AUIDFJBEWBUNNU-INIZCTEOSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598307956 478758354 /nfs/dbraw/zinc/75/83/54/478758354.db2.gz MBPADHVOFLSIQU-LRDDRELGSA-N 0 2 334.372 2.722 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598307963 478758513 /nfs/dbraw/zinc/75/85/13/478758513.db2.gz MBPADHVOFLSIQU-WBMJQRKESA-N 0 2 334.372 2.722 20 5 EFBDLN C[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C(=O)[O-])C1 ZINC000564662757 478782423 /nfs/dbraw/zinc/78/24/23/478782423.db2.gz VQQVZMGAEFONIX-NHYWBVRUSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C(=O)[O-])C1 ZINC000564662757 478782428 /nfs/dbraw/zinc/78/24/28/478782428.db2.gz VQQVZMGAEFONIX-NHYWBVRUSA-N 0 2 345.355 2.935 20 5 EFBDLN CN(c1ccccc1)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000598378471 478795499 /nfs/dbraw/zinc/79/54/99/478795499.db2.gz IURQYXSIGFGPPT-OAHLLOKOSA-N 0 2 341.367 2.651 20 5 EFBDLN O=C(c1ccc(O)c([N+](=O)[O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000544562075 478846672 /nfs/dbraw/zinc/84/66/72/478846672.db2.gz PECYNCUDEINCEY-CYBMUJFWSA-N 0 2 339.351 2.930 20 5 EFBDLN O=C([O-])c1cc(NCc2cc[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000583458822 478857546 /nfs/dbraw/zinc/85/75/46/478857546.db2.gz VTVJXJSBRPELNP-UHFFFAOYSA-N 0 2 342.355 2.900 20 5 EFBDLN Cc1noc(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598712869 478986893 /nfs/dbraw/zinc/98/68/93/478986893.db2.gz LUNWQURZTDZNQX-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN CC(C)CCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000514790380 479066707 /nfs/dbraw/zinc/06/67/07/479066707.db2.gz RJWQZFPEJKMVOF-UHFFFAOYSA-N 0 2 338.389 2.707 20 5 EFBDLN Cc1cc(N[C@H]2CCN(c3cccc[nH+]3)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592977080 479113765 /nfs/dbraw/zinc/11/37/65/479113765.db2.gz ZJSHSMMCDGLBTM-LBPRGKRZSA-N 0 2 342.355 2.687 20 5 EFBDLN O=C([O-])[C@@H](c1ccsc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000515068723 479115720 /nfs/dbraw/zinc/11/57/20/479115720.db2.gz VTVGHZOUSCRXTC-OAHLLOKOSA-N 0 2 347.396 2.604 20 5 EFBDLN Cc1c(CNc2nc(C3CCOCC3)ns2)cccc1[N+](=O)[O-] ZINC000596207657 479199325 /nfs/dbraw/zinc/19/93/25/479199325.db2.gz MYZWXUXQTMDHCY-UHFFFAOYSA-N 0 2 334.401 2.683 20 5 EFBDLN CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)C(=O)OC(C)(C)C ZINC000569976278 479220259 /nfs/dbraw/zinc/22/02/59/479220259.db2.gz GMLBXJHZAPVGRZ-CYBMUJFWSA-N 0 2 338.360 2.853 20 5 EFBDLN CN1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)c2ccccc21 ZINC000611294665 479340922 /nfs/dbraw/zinc/34/09/22/479340922.db2.gz JETCSXJYFNHWJJ-CYBMUJFWSA-N 0 2 327.340 2.863 20 5 EFBDLN COc1cc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000611741170 479463604 /nfs/dbraw/zinc/46/36/04/479463604.db2.gz PQLUHXDGBSCMSU-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=C(Nc1c(=O)[nH][nH]c1-c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000590398920 479639168 /nfs/dbraw/zinc/63/91/68/479639168.db2.gz BNVFURMVHCZLBJ-UHFFFAOYSA-N 0 2 340.295 2.648 20 5 EFBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000615565874 479694300 /nfs/dbraw/zinc/69/43/00/479694300.db2.gz HKQWMFBKGIAULI-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)o1 ZINC000612621994 479713437 /nfs/dbraw/zinc/71/34/37/479713437.db2.gz MOEGCHZNCBUESF-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C)c(F)c1 ZINC000619466359 479802108 /nfs/dbraw/zinc/80/21/08/479802108.db2.gz UITVYKOZHYFIQQ-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000619466259 479802407 /nfs/dbraw/zinc/80/24/07/479802407.db2.gz DWFIDEQQQBNXIR-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000619579076 479834315 /nfs/dbraw/zinc/83/43/15/479834315.db2.gz PNRJDRNFEKITQE-LZWOXQAQSA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000619579073 479834333 /nfs/dbraw/zinc/83/43/33/479834333.db2.gz PNRJDRNFEKITQE-FMKPAKJESA-N 0 2 348.399 2.846 20 5 EFBDLN O=C(NCc1c(F)c(F)cc(F)c1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000610638881 480353674 /nfs/dbraw/zinc/35/36/74/480353674.db2.gz IVJMOMLVSUMMPE-UHFFFAOYSA-N 0 2 344.220 2.787 20 5 EFBDLN CCNC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000183414981 521747488 /nfs/dbraw/zinc/74/74/88/521747488.db2.gz CZNCEJMDGIKCCT-UHFFFAOYSA-N 0 2 343.339 2.611 20 5 EFBDLN CCc1ccc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)o1 ZINC000182032256 524040120 /nfs/dbraw/zinc/04/01/20/524040120.db2.gz ZJPIAZSALKUDTE-AWEZNQCLSA-N 0 2 346.339 2.670 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1F ZINC000119034378 524688170 /nfs/dbraw/zinc/68/81/70/524688170.db2.gz UZYZDTFNTGDCRL-UHFFFAOYSA-N 0 2 346.361 2.913 20 5 EFBDLN Cc1cccc([C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000182124291 524848054 /nfs/dbraw/zinc/84/80/54/524848054.db2.gz BZTCRAOFBWHXBI-HNNXBMFYSA-N 0 2 327.340 2.981 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)cn2)c1C ZINC000069675392 525556977 /nfs/dbraw/zinc/55/69/77/525556977.db2.gz JWSYFLLMCGWOMN-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000135787734 525931532 /nfs/dbraw/zinc/93/15/32/525931532.db2.gz WFUURJHUKUWPJL-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CSc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000116603824 526043485 /nfs/dbraw/zinc/04/34/85/526043485.db2.gz DLODWCRBIRDNGJ-UHFFFAOYSA-N 0 2 339.398 2.821 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000007053275 526083315 /nfs/dbraw/zinc/08/33/15/526083315.db2.gz ZTZYNUCZUDKCIA-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN C[C@H](CC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000180155624 526253818 /nfs/dbraw/zinc/25/38/18/526253818.db2.gz GOJSECDMYMKDMH-LLVKDONJSA-N 0 2 328.324 2.692 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000181911840 526713099 /nfs/dbraw/zinc/71/30/99/526713099.db2.gz JHLSKNGVYTZVGZ-AWEZNQCLSA-N 0 2 346.314 2.733 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000121146909 526717016 /nfs/dbraw/zinc/71/70/16/526717016.db2.gz ZCWSVUQSNZUQFS-UHFFFAOYSA-N 0 2 340.335 2.936 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCC2=O)cc1 ZINC000120881834 527131684 /nfs/dbraw/zinc/13/16/84/527131684.db2.gz VZLYNCQWROVMAY-UHFFFAOYSA-N 0 2 341.323 2.680 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(OCC(F)F)ccn1 ZINC000182444199 527132009 /nfs/dbraw/zinc/13/20/09/527132009.db2.gz CDUAOOIZOCJPHI-UHFFFAOYSA-N 0 2 339.254 2.592 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccn(-c2ccccc2F)n1 ZINC000089531591 527132088 /nfs/dbraw/zinc/13/20/88/527132088.db2.gz YOKYPUQWYZKFLH-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN Cn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(-c2ccccc2)n1 ZINC000089343564 527170308 /nfs/dbraw/zinc/17/03/08/527170308.db2.gz BTZZOEKONZPXLA-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccnc2)cc1C(F)(F)F ZINC000179643672 527366409 /nfs/dbraw/zinc/36/64/09/527366409.db2.gz VGBCIMYWXCNOFY-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN CCCCCn1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)n1 ZINC000351485333 535159589 /nfs/dbraw/zinc/15/95/89/535159589.db2.gz ZEOORHLKXMHHOE-UHFFFAOYSA-N 0 2 346.387 2.926 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170004970 564104614 /nfs/dbraw/zinc/10/46/14/564104614.db2.gz LCPCIFRFVQYIQT-YOEHRIQHSA-N 0 2 342.351 2.808 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000754269595 575413442 /nfs/dbraw/zinc/41/34/42/575413442.db2.gz PAKYIJJGRDTEFZ-UHFFFAOYSA-N 0 2 343.361 2.652 20 5 EFBDLN CO[C@H]1Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2C1 ZINC000756202075 575701434 /nfs/dbraw/zinc/70/14/34/575701434.db2.gz DUCUJKAIPYJBOB-AWEZNQCLSA-N 0 2 328.324 2.666 20 5 EFBDLN CO[C@@H]1Cc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2C1 ZINC000756202078 575701563 /nfs/dbraw/zinc/70/15/63/575701563.db2.gz DUCUJKAIPYJBOB-CQSZACIVSA-N 0 2 328.324 2.666 20 5 EFBDLN O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1cc(F)c(O)c(F)c1 ZINC000759544716 575898122 /nfs/dbraw/zinc/89/81/22/575898122.db2.gz PHTYFNLIENPDDK-UHFFFAOYSA-N 0 2 339.250 2.814 20 5 EFBDLN CCc1ncc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000763373904 576374771 /nfs/dbraw/zinc/37/47/71/576374771.db2.gz NRMPPBCSLCUWAC-UHFFFAOYSA-N 0 2 331.350 2.554 20 5 EFBDLN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(F)(F)F ZINC000725878719 577265975 /nfs/dbraw/zinc/26/59/75/577265975.db2.gz JOVRDNIYPWQIOP-UHFFFAOYSA-N 0 2 345.199 2.704 20 5 EFBDLN CSc1ccncc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768861370 577311268 /nfs/dbraw/zinc/31/12/68/577311268.db2.gz DKXQMOFKAXBVQJ-UHFFFAOYSA-N 0 2 331.400 2.574 20 5 EFBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2O)cs1 ZINC000768883227 577313802 /nfs/dbraw/zinc/31/38/02/577313802.db2.gz YKVVKNXXHRJEMP-UHFFFAOYSA-N 0 2 334.762 2.816 20 5 EFBDLN O=C([O-])/C=C\c1ccc(NCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000739627774 599994440 /nfs/dbraw/zinc/99/44/40/599994440.db2.gz ZXOWUZWNNQJZIX-ALCCZGGFSA-N 0 2 342.355 2.838 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633571 601883453 /nfs/dbraw/zinc/88/34/53/601883453.db2.gz YKBLVSBGMRBCAQ-NSHDSACASA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633571 601883454 /nfs/dbraw/zinc/88/34/54/601883454.db2.gz YKBLVSBGMRBCAQ-NSHDSACASA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833222274 601886809 /nfs/dbraw/zinc/88/68/09/601886809.db2.gz UECZSGIQLXKQQS-LLVKDONJSA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000833222274 601886810 /nfs/dbraw/zinc/88/68/10/601886810.db2.gz UECZSGIQLXKQQS-LLVKDONJSA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])/C=C/c1ccc(NCc2ccn3cc[nH+]c3c2)c([N+](=O)[O-])c1 ZINC000833197246 602326571 /nfs/dbraw/zinc/32/65/71/602326571.db2.gz NHSSDVMBMWESBS-DUXPYHPUSA-N 0 2 338.323 2.952 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1 ZINC000126177363 1291034181 /nfs/dbraw/zinc/03/41/81/1291034181.db2.gz LQFRVSNHNZKSKG-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C1OC(c2cc(F)cc(F)c2)=N/C1=C\c1ccc([N+](=O)[O-])c(O)c1 ZINC000129740000 1293249997 /nfs/dbraw/zinc/24/99/97/1293249997.db2.gz YHUKOFYIZGHRDQ-BASWHVEKSA-N 0 2 346.245 2.923 20 5 EFBDLN O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1O ZINC000775647257 1293844936 /nfs/dbraw/zinc/84/49/36/1293844936.db2.gz TUFMVJZVXGCULY-UHFFFAOYSA-N 0 2 335.747 2.796 20 5 EFBDLN Cc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC000083955900 1298724131 /nfs/dbraw/zinc/72/41/31/1298724131.db2.gz APGVMCOGWFSPLN-UHFFFAOYSA-N 0 2 348.793 2.517 20 5 EFBDLN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540795 1300827553 /nfs/dbraw/zinc/82/75/53/1300827553.db2.gz HPEXFMUTYGYCEQ-UHFFFAOYSA-N 0 2 346.299 2.527 20 5 EFBDLN Nc1cc2nc3ccccc3n(-c3ccc(O)c([N+](=O)[O-])c3)c-2cc1=O ZINC001210398286 1314326917 /nfs/dbraw/zinc/32/69/17/1314326917.db2.gz UUVCCJAXDNEWJG-UHFFFAOYSA-N 0 2 348.318 2.687 20 5 EFBDLN Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1Cl ZINC001210956321 1314416192 /nfs/dbraw/zinc/41/61/92/1314416192.db2.gz WVCBKBXZDVCEKF-UHFFFAOYSA-N 0 2 345.739 2.770 20 5 EFBDLN CSc1nc(OC[C@H]2CCc3ccccc3O2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624920 1311832759 /nfs/dbraw/zinc/83/27/59/1311832759.db2.gz IZBPJDYXIRCTJU-SNVBAGLBSA-N 0 2 349.368 2.585 20 5 EFBDLN CCCC(=O)[C@@H](CCC)Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-] ZINC001227625228 1311832803 /nfs/dbraw/zinc/83/28/03/1311832803.db2.gz SYVYHZGZGSVJMQ-SECBINFHSA-N 0 2 329.378 2.729 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@@H](C)c4cnccn4)c3nc2cc1C ZINC001228683717 1311981930 /nfs/dbraw/zinc/98/19/30/1311981930.db2.gz CGCBMPSXANOMFC-NSHDSACASA-N 0 2 348.366 2.825 20 5 EFBDLN CC(C)C[C@@H](Oc1cc(O)cc(O)c1[N+](=O)[O-])C(=O)OC(C)C ZINC001228970158 1312028900 /nfs/dbraw/zinc/02/89/00/1312028900.db2.gz GKUGMAVLDWSENQ-CYBMUJFWSA-N 0 2 327.333 2.751 20 5 EFBDLN C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228973531 1312030083 /nfs/dbraw/zinc/03/00/83/1312030083.db2.gz KRRVPAKWMZLMHQ-WCQYABFASA-N 0 2 345.355 2.615 20 5 EFBDLN C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cc(O)cc([O-])c2[N+](=O)[O-])C1 ZINC001228973531 1312030085 /nfs/dbraw/zinc/03/00/85/1312030085.db2.gz KRRVPAKWMZLMHQ-WCQYABFASA-N 0 2 345.355 2.615 20 5 EFBDLN COC(=O)C[C@@H]1CCC[C@@H](Oc2cc(O)cc(O)c2[N+](=O)[O-])C1 ZINC001228972636 1312030116 /nfs/dbraw/zinc/03/01/16/1312030116.db2.gz BDIIUDKJDIQFIK-MWLCHTKSSA-N 0 2 325.317 2.507 20 5 EFBDLN O=[N+]([O-])c1c(O)cc(O)cc1OC[C@H]1CCC(c2ccccc2)=NO1 ZINC001228974078 1312030537 /nfs/dbraw/zinc/03/05/37/1312030537.db2.gz OOYGXSVFFMLXNH-CYBMUJFWSA-N 0 2 344.323 2.968 20 5 EFBDLN CCCSc1nc(OCCOC2CCCC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229793409 1312140522 /nfs/dbraw/zinc/14/05/22/1312140522.db2.gz ZQUVOFMXUXDPHY-UHFFFAOYSA-N 0 2 343.405 2.931 20 5 EFBDLN COc1cc(Nc2c(C)c(=O)[nH]n2-c2ccccc2)ncc1[N+](=O)[O-] ZINC001163110483 1312242962 /nfs/dbraw/zinc/24/29/62/1312242962.db2.gz CNDLRNWQPLBHHG-UHFFFAOYSA-N 0 2 341.327 2.942 20 5 EFBDLN CCc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C ZINC000119987493 1314748141 /nfs/dbraw/zinc/74/81/41/1314748141.db2.gz ODNXPPGNXKCYSN-UHFFFAOYSA-N 0 2 333.416 2.784 20 5 EFBDLN O=[N+]([O-])c1cc(Cc2nc(-c3cccc4ccnn43)no2)ccc1O ZINC001247986420 1314878447 /nfs/dbraw/zinc/87/84/47/1314878447.db2.gz BTXDEYXREZJYQT-UHFFFAOYSA-N 0 2 337.295 2.589 20 5 EFBDLN COc1ncc(-c2noc(-c3cc(O)ccc3[N+](=O)[O-])n2)cc1C ZINC001216681966 1314992649 /nfs/dbraw/zinc/99/26/49/1314992649.db2.gz BHCJRDAERUMVDT-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1cc(-c2nc(-c3ccc(C)cn3)no2)cc([N+](=O)[O-])c1O ZINC001216837248 1315013822 /nfs/dbraw/zinc/01/38/22/1315013822.db2.gz SPRRFCQXWFIVPB-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1nc(C)ccc1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216846858 1315015321 /nfs/dbraw/zinc/01/53/21/1315015321.db2.gz CGJNHTONHBTHMG-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1nccc(C)c1-c1noc(-c2c(O)cccc2[N+](=O)[O-])n1 ZINC001216846991 1315015343 /nfs/dbraw/zinc/01/53/43/1315015343.db2.gz JLYXYZLEMWGGKR-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN COc1ccnc(-c2noc(-c3ccc(C)c(O)c3[N+](=O)[O-])n2)c1 ZINC001216856723 1315016604 /nfs/dbraw/zinc/01/66/04/1315016604.db2.gz KNSGBTBUCMNQJP-UHFFFAOYSA-N 0 2 328.284 2.729 20 5 EFBDLN CC(=O)c1cc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)ccn1 ZINC001216894165 1315020291 /nfs/dbraw/zinc/02/02/91/1315020291.db2.gz NIBAWYLUNIUTPC-UHFFFAOYSA-N 0 2 326.268 2.615 20 5 EFBDLN O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2ccc(F)c(O)c2F)n1 ZINC001216985359 1315027908 /nfs/dbraw/zinc/02/79/08/1315027908.db2.gz MUJCABIBQVQBLR-UHFFFAOYSA-N 0 2 338.201 2.830 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(OC4CCC(O)CC4)c3nc2cc1C ZINC001218365079 1315185233 /nfs/dbraw/zinc/18/52/33/1315185233.db2.gz RHFCOXHTOZXXOC-UHFFFAOYSA-N 0 2 340.383 2.578 20 5 EFBDLN COc1cccc2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)oc21 ZINC001325791252 1329713034 /nfs/dbraw/zinc/71/30/34/1329713034.db2.gz XHZQDOBKVJPATP-UHFFFAOYSA-N 0 2 342.307 2.985 20 5 EFBDLN O=C(NCCCCOc1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC001325791304 1329713110 /nfs/dbraw/zinc/71/31/10/1329713110.db2.gz YUIXHQSTYALHLI-UHFFFAOYSA-N 0 2 330.340 2.889 20 5 EFBDLN Cc1nc2ccc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2o1 ZINC001326177150 1329736719 /nfs/dbraw/zinc/73/67/19/1329736719.db2.gz LPUZPAPAZYQSND-UHFFFAOYSA-N 0 2 349.324 2.551 20 5 EFBDLN C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001339917584 1332113912 /nfs/dbraw/zinc/11/39/12/1332113912.db2.gz VXERNXGTDZHLSP-GHMZBOCLSA-N 0 2 331.376 2.578 20 5 EFBDLN CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001340017490 1332128592 /nfs/dbraw/zinc/12/85/92/1332128592.db2.gz MLYSCUBIYZOTAL-JQWIXIFHSA-N 0 2 331.376 2.721 20 5 EFBDLN CCn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001341311071 1332250398 /nfs/dbraw/zinc/25/03/98/1332250398.db2.gz PDBSAWNWVXYAHJ-GHMZBOCLSA-N 0 2 331.376 2.671 20 5 EFBDLN O=[N+]([O-])c1cc(-c2nnc(N3CCCC3)n2CC2CC2)ccc1O ZINC001348060896 1332796204 /nfs/dbraw/zinc/79/62/04/1332796204.db2.gz NNTVUGRUCHSADM-UHFFFAOYSA-N 0 2 329.360 2.569 20 5 EFBDLN CCOc1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120191372 712981060 /nfs/dbraw/zinc/98/10/60/712981060.db2.gz DPOPDGLMRZBABS-UHFFFAOYSA-N 0 2 346.361 2.995 20 5 EFBDLN CCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)cn1 ZINC000174743965 726293684 /nfs/dbraw/zinc/29/36/84/726293684.db2.gz ZLROKECZCLGLEJ-UHFFFAOYSA-N 0 2 338.389 2.565 20 5 EFBDLN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000917362277 727799991 /nfs/dbraw/zinc/79/99/91/727799991.db2.gz FZGYNZBPCFUIJD-UHFFFAOYSA-N 0 2 349.324 2.939 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000172182299 728573141 /nfs/dbraw/zinc/57/31/41/728573141.db2.gz FKZXAEMZRCLHBK-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000902005872 980682962 /nfs/dbraw/zinc/68/29/62/980682962.db2.gz CPUOXSOBFGJMIR-SSDOTTSWSA-N 0 2 349.206 2.858 20 5 EFBDLN O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000902005872 980682966 /nfs/dbraw/zinc/68/29/66/980682966.db2.gz CPUOXSOBFGJMIR-SSDOTTSWSA-N 0 2 349.206 2.858 20 5 EFBDLN O=C([O-])c1cncc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000903887604 981021321 /nfs/dbraw/zinc/02/13/21/981021321.db2.gz XMMHDVRCZYQXOC-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN O=C([O-])c1cncc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000903887604 981021326 /nfs/dbraw/zinc/02/13/26/981021326.db2.gz XMMHDVRCZYQXOC-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN CC(C)[N@@H+]1CCCC[C@H]1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629420 992920151 /nfs/dbraw/zinc/92/01/51/992920151.db2.gz LLJLKGPCPSGIAF-WMZOPIPTSA-N 0 2 349.431 2.747 20 5 EFBDLN CC(C)[N@H+]1CCCC[C@H]1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001591629420 992920160 /nfs/dbraw/zinc/92/01/60/992920160.db2.gz LLJLKGPCPSGIAF-WMZOPIPTSA-N 0 2 349.431 2.747 20 5 EFBDLN CNc1cc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc[nH+]1 ZINC001598676090 994845660 /nfs/dbraw/zinc/84/56/60/994845660.db2.gz MXIUGFXMYQQNDN-HYXAFXHYSA-N 0 2 328.328 2.741 20 5 EFBDLN C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166686 998634757 /nfs/dbraw/zinc/63/47/57/998634757.db2.gz AFOSMMYFGJAANN-HTRCEHHLSA-N 0 2 349.206 2.714 20 5 EFBDLN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(Br)c([N+](=O)[O-])s1 ZINC001594166686 998634761 /nfs/dbraw/zinc/63/47/61/998634761.db2.gz AFOSMMYFGJAANN-HTRCEHHLSA-N 0 2 349.206 2.714 20 5 EFBDLN Cc1cc(NCc2ccn3cc[nH+]c3c2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001600282426 1094941581 /nfs/dbraw/zinc/94/15/81/1094941581.db2.gz LYBFDOHAOUGGNN-UHFFFAOYSA-N 0 2 326.312 2.861 20 5 EFBDLN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC001601660627 1095790619 /nfs/dbraw/zinc/79/06/19/1095790619.db2.gz VUTRZJRIGQALCT-AWEZNQCLSA-N 0 2 341.323 2.522 20 5 EFBDLN O=C([O-])c1c(Cl)c(NCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC001602233062 1096129479 /nfs/dbraw/zinc/12/94/79/1096129479.db2.gz OJKQCEPEWIRAJE-UHFFFAOYSA-N 0 2 336.735 2.865 20 5 EFBDLN O=C([O-])c1ccc(F)c(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602363862 1096206209 /nfs/dbraw/zinc/20/62/09/1096206209.db2.gz ISUKPGMYOAHTEN-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1ccc(F)c(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001602363862 1096206214 /nfs/dbraw/zinc/20/62/14/1096206214.db2.gz ISUKPGMYOAHTEN-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001602436771 1096244861 /nfs/dbraw/zinc/24/48/61/1096244861.db2.gz LCMXDXFBUKTKFC-UHFFFAOYSA-N 0 2 328.324 2.556 20 5 EFBDLN CN(C)c1ccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c[nH+]1 ZINC001606058831 1097309117 /nfs/dbraw/zinc/30/91/17/1097309117.db2.gz PVKJPDVINQBWJL-YWEYNIOJSA-N 0 2 328.328 2.897 20 5 EFBDLN COc1ccccc1C[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607343712 1097608014 /nfs/dbraw/zinc/60/80/14/1097608014.db2.gz MNEWXHFHOLGYFC-UHFFFAOYSA-N 0 2 330.340 2.934 20 5 EFBDLN COc1ccccc1C[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001607343712 1097608017 /nfs/dbraw/zinc/60/80/17/1097608017.db2.gz MNEWXHFHOLGYFC-UHFFFAOYSA-N 0 2 330.340 2.934 20 5 EFBDLN Cc1cc(NCCCN(C)c2cccc[nH+]2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC001607694986 1097702088 /nfs/dbraw/zinc/70/20/88/1097702088.db2.gz SZXRKHKVLQOKMT-UHFFFAOYSA-N 0 2 344.371 2.935 20 5 EFBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608654297 1097978193 /nfs/dbraw/zinc/97/81/93/1097978193.db2.gz JLNXNFNCMVBNBJ-MRXNPFEDSA-N 0 2 348.305 2.885 20 5 EFBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC001608654297 1097978195 /nfs/dbraw/zinc/97/81/95/1097978195.db2.gz JLNXNFNCMVBNBJ-MRXNPFEDSA-N 0 2 348.305 2.885 20 5 EFBDLN C[C@@]([NH2+]Cc1cc(O)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccc(F)cc1 ZINC001609782160 1098457195 /nfs/dbraw/zinc/45/71/95/1098457195.db2.gz WWUBDWCYWFYGOI-INIZCTEOSA-N 0 2 334.303 2.529 20 5 EFBDLN Cc1cc(NCc2ccn3cc[nH+]c3c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001610475985 1098699052 /nfs/dbraw/zinc/69/90/52/1098699052.db2.gz XFRTXIFBFYEPMC-UHFFFAOYSA-N 0 2 326.312 2.861 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC001610850715 1098935144 /nfs/dbraw/zinc/93/51/44/1098935144.db2.gz MHVFOIODHTZHGJ-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN O=C([O-])c1cccc2c1C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC001610850715 1098935147 /nfs/dbraw/zinc/93/51/47/1098935147.db2.gz MHVFOIODHTZHGJ-UHFFFAOYSA-N 0 2 330.315 2.990 20 5 EFBDLN COc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])c(O)c3)C(=O)O2)c1 ZINC000748159486 1101312852 /nfs/dbraw/zinc/31/28/52/1101312852.db2.gz YCOKPHGGVAIXPJ-NTUHNPAUSA-N 0 2 340.291 2.654 20 5 EFBDLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000191844256 529526624 /nfs/dbraw/zinc/52/66/24/529526624.db2.gz CXBNHZOEBVWELQ-UHFFFAOYSA-N 0 2 348.384 2.625 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)s1 ZINC000174021701 529664013 /nfs/dbraw/zinc/66/40/13/529664013.db2.gz XRLWVIUPRXBOMA-UHFFFAOYSA-N 0 2 341.414 2.977 20 5 EFBDLN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436886835 282395580 /nfs/dbraw/zinc/39/55/80/282395580.db2.gz LXSDGABHKSMABW-GJZGRUSLSA-N 0 2 336.388 2.966 20 5 EFBDLN C[C@H](NC(=O)N=c1ccc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000448145626 299141937 /nfs/dbraw/zinc/14/19/37/299141937.db2.gz DEKZJUJYXAVVGL-JTQLQIEISA-N 0 2 327.344 2.567 20 5 EFBDLN Cc1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000179622789 233248533 /nfs/dbraw/zinc/24/85/33/233248533.db2.gz DUBIOXVBHKSNLV-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN O=[N+]([O-])c1c(Nc2ccn(Cc3ccccn3)n2)nc2ccccn21 ZINC000068904911 215344952 /nfs/dbraw/zinc/34/49/52/215344952.db2.gz RGLIQKHLLPRWIP-UHFFFAOYSA-N 0 2 335.327 2.626 20 5 EFBDLN CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000130525769 223159208 /nfs/dbraw/zinc/15/92/08/223159208.db2.gz UMPYBRXOGZZIPU-UHFFFAOYSA-N 0 2 344.780 2.574 20 5 EFBDLN C[C@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158429567 239008417 /nfs/dbraw/zinc/00/84/17/239008417.db2.gz KNXGGYVVZCRNEQ-MEBBXXQBSA-N 0 2 348.330 2.682 20 5 EFBDLN O=C(NCc1nc(-c2ccccc2)c[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000182135758 239531510 /nfs/dbraw/zinc/53/15/10/239531510.db2.gz DVBZTKDMMGTKII-UHFFFAOYSA-N 0 2 338.323 2.621 20 5 EFBDLN CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000192710457 240059185 /nfs/dbraw/zinc/05/91/85/240059185.db2.gz SAJPMINIASIVPX-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN Cc1cccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000194748712 240177274 /nfs/dbraw/zinc/17/72/74/240177274.db2.gz YVOQUBKVUVNOSN-UHFFFAOYSA-N 0 2 330.340 2.760 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(NC(=O)C2CC2)cc1 ZINC000021028301 212202423 /nfs/dbraw/zinc/20/24/23/212202423.db2.gz QWOQAAJBLRZPDL-UHFFFAOYSA-N 0 2 341.323 2.901 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000414470841 244182564 /nfs/dbraw/zinc/18/25/64/244182564.db2.gz NMHPQJQOFLOXIX-UHFFFAOYSA-N 0 2 327.387 2.723 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000434971144 248201069 /nfs/dbraw/zinc/20/10/69/248201069.db2.gz HNFAJMAKXMLXBX-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN O=C(Nc1ccccc1O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000436863318 249618001 /nfs/dbraw/zinc/61/80/01/249618001.db2.gz IQDBDARPXHSKOB-GFCCVEGCSA-N 0 2 344.323 2.720 20 5 EFBDLN COc1cccc(C(=O)Nc2cc(C(C)=O)ccc2O)c1[N+](=O)[O-] ZINC000444355809 250292594 /nfs/dbraw/zinc/29/25/94/250292594.db2.gz HWNIEOIDRROVQO-UHFFFAOYSA-N 0 2 330.296 2.764 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(n1)CCC2 ZINC000451093396 251443373 /nfs/dbraw/zinc/44/33/73/251443373.db2.gz FLHYWMWRHUEJJD-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc(C(C)C)o2)c1C ZINC000153617843 224131492 /nfs/dbraw/zinc/13/14/92/224131492.db2.gz GXCKLUHYTMVRME-UHFFFAOYSA-N 0 2 340.361 2.519 20 5 EFBDLN COc1ccc([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cc1 ZINC000181950937 533206886 /nfs/dbraw/zinc/20/68/86/533206886.db2.gz AQVPZVQSCJHEEY-ZDUSSCGKSA-N 0 2 342.351 2.939 20 5 EFBDLN C[C@H](O)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000119420033 221315811 /nfs/dbraw/zinc/31/58/11/221315811.db2.gz IPGSQKFWVWIWQX-WFASDCNBSA-N 0 2 344.367 2.585 20 5 EFBDLN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000345006960 142111005 /nfs/dbraw/zinc/11/10/05/142111005.db2.gz CZZDFBAPGNXKMC-HUUCEWRRSA-N 0 2 342.351 2.985 20 5 EFBDLN O=C(N=c1cccn[nH]1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000346044451 142138886 /nfs/dbraw/zinc/13/88/86/142138886.db2.gz XICCETGWPOGBJO-UHFFFAOYSA-N 0 2 349.350 2.671 20 5 EFBDLN O=C(N=c1cccn[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000346073269 142143499 /nfs/dbraw/zinc/14/34/99/142143499.db2.gz XLDARDXYOKMPOI-UHFFFAOYSA-N 0 2 336.307 2.851 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000346447799 142206265 /nfs/dbraw/zinc/20/62/65/142206265.db2.gz CIVRXOSCCIXVGT-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CSc1ccc([N+](=O)[O-])c(C(=O)N=c2ccc(C3CC3)n[nH]2)c1 ZINC000341222535 145016113 /nfs/dbraw/zinc/01/61/13/145016113.db2.gz YQRJFPMTUIVIAO-UHFFFAOYSA-N 0 2 330.369 2.658 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccsc1 ZINC000350970691 146103471 /nfs/dbraw/zinc/10/34/71/146103471.db2.gz JEWHVPZYZHFQKR-UHFFFAOYSA-N 0 2 328.371 2.856 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cnc(-c3ccco3)s2)[nH]1 ZINC000352022116 146266635 /nfs/dbraw/zinc/26/66/35/146266635.db2.gz VGSZDNAGMAHXNY-ARJAWSKDSA-N 0 2 332.297 2.683 20 5 EFBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cnc(-c3ccco3)s2)[nH]1 ZINC000352022117 146267202 /nfs/dbraw/zinc/26/72/02/146267202.db2.gz VGSZDNAGMAHXNY-ONEGZZNKSA-N 0 2 332.297 2.683 20 5 EFBDLN Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc([N+](=O)[O-])c1 ZINC000356003582 147120737 /nfs/dbraw/zinc/12/07/37/147120737.db2.gz FUAYYMCRMBAPPO-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN COc1c(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)oc2ccccc21 ZINC000356754285 147327288 /nfs/dbraw/zinc/32/72/88/147327288.db2.gz CSNWAJUTNMKQBH-UHFFFAOYSA-N 0 2 342.307 2.985 20 5 EFBDLN Cc1cc(=NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)[nH]nc1C ZINC000359493370 148100087 /nfs/dbraw/zinc/10/00/87/148100087.db2.gz MRIKJVYEQGVUGT-LLVKDONJSA-N 0 2 332.385 2.543 20 5 EFBDLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000359635779 148146351 /nfs/dbraw/zinc/14/63/51/148146351.db2.gz CFRKEFFIOWSDEM-JTQLQIEISA-N 0 2 338.389 2.872 20 5 EFBDLN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000359634664 148146367 /nfs/dbraw/zinc/14/63/67/148146367.db2.gz FVRKGHAKMPNVSA-UHFFFAOYSA-N 0 2 326.305 2.543 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000359846023 148205584 /nfs/dbraw/zinc/20/55/84/148205584.db2.gz GDPNKJXFPBTIRA-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN COc1ccc(NS(=O)(=O)c2sccc2C)cc1[N+](=O)[O-] ZINC000359862014 148209496 /nfs/dbraw/zinc/20/94/96/148209496.db2.gz YZWJMXPCZLUXMN-UHFFFAOYSA-N 0 2 328.371 2.774 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)ccc1[N+](=O)[O-] ZINC000359969578 148238790 /nfs/dbraw/zinc/23/87/90/148238790.db2.gz HSNNMJNKHNBEII-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN COc1ccc2c(c1)CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2 ZINC000372632302 151040993 /nfs/dbraw/zinc/04/09/93/151040993.db2.gz OEKARHYASSWKPY-UHFFFAOYSA-N 0 2 342.351 2.550 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1c1ccccc1 ZINC000373270515 151144639 /nfs/dbraw/zinc/14/46/39/151144639.db2.gz LJAMTBWBGUHYLL-HNNXBMFYSA-N 0 2 327.340 2.908 20 5 EFBDLN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C12CCC2 ZINC000160540287 286244720 /nfs/dbraw/zinc/24/47/20/286244720.db2.gz BCBBIPLQKAEXOY-HUUCEWRRSA-N 0 2 334.372 2.720 20 5 EFBDLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000374058375 151277010 /nfs/dbraw/zinc/27/70/10/151277010.db2.gz RSVHUXQNRAFYMZ-JMGFVUJMSA-N 0 2 348.399 2.702 20 5 EFBDLN O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170015385 544855796 /nfs/dbraw/zinc/85/57/96/544855796.db2.gz URLBWOJVKYYXHQ-CJNGLKHVSA-N 0 2 328.324 2.560 20 5 EFBDLN O=C(N[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000170015382 544856141 /nfs/dbraw/zinc/85/61/41/544856141.db2.gz URLBWOJVKYYXHQ-CZUORRHYSA-N 0 2 328.324 2.560 20 5 EFBDLN COCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184629668 265023252 /nfs/dbraw/zinc/02/32/52/265023252.db2.gz LOOIPTZQTIDEFR-UHFFFAOYSA-N 0 2 330.340 2.589 20 5 EFBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000194897294 265394617 /nfs/dbraw/zinc/39/46/17/265394617.db2.gz WTSGZDZRCIAGKY-UHFFFAOYSA-N 0 2 347.274 2.809 20 5 EFBDLN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272373738 266245928 /nfs/dbraw/zinc/24/59/28/266245928.db2.gz HQNMFBNLASEMTE-LBPRGKRZSA-N 0 2 334.372 2.912 20 5 EFBDLN CCc1cccnc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276866594 267064443 /nfs/dbraw/zinc/06/44/43/267064443.db2.gz HDKKIQZHFFJYHE-UHFFFAOYSA-N 0 2 335.385 2.970 20 5 EFBDLN CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H](O)c1ccccc1 ZINC000280517269 273336160 /nfs/dbraw/zinc/33/61/60/273336160.db2.gz ISULYQFGQVHLMK-YOEHRIQHSA-N 0 2 344.367 2.933 20 5 EFBDLN CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000281989422 273498522 /nfs/dbraw/zinc/49/85/22/273498522.db2.gz ZRCOSWNCMIMVAN-AWEZNQCLSA-N 0 2 344.371 2.884 20 5 EFBDLN CCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000077233102 292763902 /nfs/dbraw/zinc/76/39/02/292763902.db2.gz IIYRGISYZXIQIN-UHFFFAOYSA-N 0 2 329.312 2.901 20 5 EFBDLN CN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)c2ccc(F)cc21 ZINC000373478163 289934489 /nfs/dbraw/zinc/93/44/89/289934489.db2.gz BOPBKTQTFYDLCQ-UHFFFAOYSA-N 0 2 345.330 2.926 20 5 EFBDLN CC(=O)Nc1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000124282684 292995739 /nfs/dbraw/zinc/99/57/39/292995739.db2.gz IARBVKRZMBGMAD-UHFFFAOYSA-N 0 2 333.275 2.650 20 5 EFBDLN O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000125455207 293010492 /nfs/dbraw/zinc/01/04/92/293010492.db2.gz OPZCAPAXUXHYDE-SUMWQHHRSA-N 0 2 342.351 2.951 20 5 EFBDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000132694304 293234601 /nfs/dbraw/zinc/23/46/01/293234601.db2.gz WZWRNSAKFLKICO-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN O=C(Nc1nc(Sc2ccccc2)ns1)c1n[nH]cc1[N+](=O)[O-] ZINC000153523006 293380676 /nfs/dbraw/zinc/38/06/76/293380676.db2.gz GJAKDJHBFWRJCT-UHFFFAOYSA-N 0 2 348.369 2.573 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CC2)ccn1 ZINC000290915248 294219598 /nfs/dbraw/zinc/21/95/98/294219598.db2.gz HLQWMDMTFQOVOA-UHFFFAOYSA-N 0 2 333.369 2.976 20 5 EFBDLN COc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000353307021 295334725 /nfs/dbraw/zinc/33/47/25/295334725.db2.gz XGWRQHWMMGMYJI-UHFFFAOYSA-N 0 2 328.324 2.902 20 5 EFBDLN C[C@H](C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336866105 298227913 /nfs/dbraw/zinc/22/79/13/298227913.db2.gz HKTWOOGYXJQFEC-SNVBAGLBSA-N 0 2 337.328 2.779 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc2n[nH]cc21 ZINC000346448752 301363928 /nfs/dbraw/zinc/36/39/28/301363928.db2.gz DEPDRFRNHLGNDG-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436872851 301470897 /nfs/dbraw/zinc/47/08/97/301470897.db2.gz XQPLDUBXECYSMW-UHFFFAOYSA-N 0 2 340.295 2.911 20 5 EFBDLN O=C(N[C@@H]1COc2c1cccc2Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000366058126 303898799 /nfs/dbraw/zinc/89/87/99/303898799.db2.gz DOGJZAHHQMBUDL-LLVKDONJSA-N 0 2 334.715 2.817 20 5 EFBDLN CCc1cccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000135529949 310656438 /nfs/dbraw/zinc/65/64/38/310656438.db2.gz KCTJZIYIOUAHIE-UHFFFAOYSA-N 0 2 346.368 2.834 20 5 EFBDLN O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4ncccc34)no2)cc1O ZINC000350649089 311815361 /nfs/dbraw/zinc/81/53/61/311815361.db2.gz AGNBZYZFHUBGME-UHFFFAOYSA-N 0 2 337.295 2.818 20 5 EFBDLN O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1O ZINC000436969842 312604435 /nfs/dbraw/zinc/60/44/35/312604435.db2.gz ZQQWQIAOKZMHOZ-SJORKVTESA-N 0 2 342.351 2.951 20 5 EFBDLN COC(=O)c1cc(C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436989245 312606814 /nfs/dbraw/zinc/60/68/14/312606814.db2.gz NONSSFIPPGHWHX-UHFFFAOYSA-N 0 2 330.296 2.648 20 5 EFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1noc2ccccc21 ZINC000438989243 312629583 /nfs/dbraw/zinc/62/95/83/312629583.db2.gz YUZODXKFNJBVOC-UHFFFAOYSA-N 0 2 333.325 2.678 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2cc3c(cn2)CCC3)ccc1[N+](=O)[O-] ZINC000451051292 312805456 /nfs/dbraw/zinc/80/54/56/312805456.db2.gz UIUFNRXUTWFROV-UHFFFAOYSA-N 0 2 333.369 2.588 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCc2ccccc2CC1 ZINC000456310520 313037246 /nfs/dbraw/zinc/03/72/46/313037246.db2.gz KADSCGSOPYOIAB-UHFFFAOYSA-N 0 2 326.352 2.932 20 5 EFBDLN C=CC(=O)Nc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000490706055 313669319 /nfs/dbraw/zinc/66/93/19/313669319.db2.gz ZJODVVZYAHZNPF-UHFFFAOYSA-N 0 2 345.286 2.816 20 5 EFBDLN COC(=O)Nc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000494969979 314652936 /nfs/dbraw/zinc/65/29/36/314652936.db2.gz ILQMFALQQYNNJU-UHFFFAOYSA-N 0 2 349.274 2.870 20 5 EFBDLN COC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000495508923 314736028 /nfs/dbraw/zinc/73/60/28/314736028.db2.gz GWPKTYAYACONCT-UHFFFAOYSA-N 0 2 331.284 2.731 20 5 EFBDLN CC(C)[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1[nH]cc[nH+]1 ZINC000516572750 315686922 /nfs/dbraw/zinc/68/69/22/315686922.db2.gz MNQVOINKYUHVBJ-NSHDSACASA-N 0 2 338.751 2.804 20 5 EFBDLN CN1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000544501667 317886636 /nfs/dbraw/zinc/88/66/36/317886636.db2.gz LMPQXMSDCWBSMO-UHFFFAOYSA-N 0 2 331.303 2.536 20 5 EFBDLN O=C(NC1CC(OCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000547811422 318044587 /nfs/dbraw/zinc/04/45/87/318044587.db2.gz VRSTYHMOFZNOMS-UHFFFAOYSA-N 0 2 342.351 2.778 20 5 EFBDLN O=C([O-])c1cc(NCc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000554560317 318324067 /nfs/dbraw/zinc/32/40/67/318324067.db2.gz QRDXGOJUMWPVFR-UHFFFAOYSA-N 0 2 342.355 2.900 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1[N+](=O)[O-] ZINC000565232893 318950065 /nfs/dbraw/zinc/95/00/65/318950065.db2.gz GHFHWQGNYOHBOU-UHFFFAOYSA-N 0 2 336.373 2.613 20 5 EFBDLN Cc1cc(N2CCC[C@@H]2CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000573805924 319800645 /nfs/dbraw/zinc/80/06/45/319800645.db2.gz UDKGWIUBNSCCRS-CQSZACIVSA-N 0 2 342.355 2.804 20 5 EFBDLN CCc1csc(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000574756460 319891786 /nfs/dbraw/zinc/89/17/86/319891786.db2.gz XRHMORNEQOXBGN-UHFFFAOYSA-N 0 2 341.414 2.977 20 5 EFBDLN O=C([O-])c1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000576522568 320023757 /nfs/dbraw/zinc/02/37/57/320023757.db2.gz GIFOROZPTLRXTF-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)nc1 ZINC000576522568 320023759 /nfs/dbraw/zinc/02/37/59/320023759.db2.gz GIFOROZPTLRXTF-UHFFFAOYSA-N 0 2 327.340 2.853 20 5 EFBDLN Cc1nc2ccccc2n1CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183896485 323350303 /nfs/dbraw/zinc/35/03/03/323350303.db2.gz BDWPEGNNQTVDPX-UHFFFAOYSA-N 0 2 326.312 2.597 20 5 EFBDLN Cc1c[nH]c(C(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])[nH+]1 ZINC000580561426 324189034 /nfs/dbraw/zinc/18/90/34/324189034.db2.gz YSZKTEMXWRGCIB-UHFFFAOYSA-N 0 2 338.751 2.650 20 5 EFBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1C1CC1 ZINC000581022841 324289662 /nfs/dbraw/zinc/28/96/62/324289662.db2.gz KYQNPWXJTWECID-UHFFFAOYSA-N 0 2 336.373 2.559 20 5 EFBDLN C[C@@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000581074346 324300163 /nfs/dbraw/zinc/30/01/63/324300163.db2.gz MOZPXSOYNHNMBV-ABAIWWIYSA-N 0 2 330.344 2.577 20 5 EFBDLN C[C@H]1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000581074355 324300320 /nfs/dbraw/zinc/30/03/20/324300320.db2.gz MOZPXSOYNHNMBV-NHYWBVRUSA-N 0 2 330.344 2.577 20 5 EFBDLN CCn1c2ccccc2nc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000035979356 463434791 /nfs/dbraw/zinc/43/47/91/463434791.db2.gz SMQBPPDPVNIDJH-UHFFFAOYSA-N 0 2 326.312 2.922 20 5 EFBDLN O=C(NCCc1cc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000184884991 473263946 /nfs/dbraw/zinc/26/39/46/473263946.db2.gz CTXYFYMZRFGUQR-UHFFFAOYSA-N 0 2 325.324 2.754 20 5 EFBDLN C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184888630 473264975 /nfs/dbraw/zinc/26/49/75/473264975.db2.gz VYNWXPJZJAUHQO-NOZJJQNGSA-N 0 2 336.369 2.604 20 5 EFBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1COc2ccccc21 ZINC000184891807 473265063 /nfs/dbraw/zinc/26/50/63/473265063.db2.gz ZWRWAULHPBQRIU-IINYFYTJSA-N 0 2 328.324 2.595 20 5 EFBDLN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184888589 473265319 /nfs/dbraw/zinc/26/53/19/473265319.db2.gz VYNWXPJZJAUHQO-RNCFNFMXSA-N 0 2 336.369 2.604 20 5 EFBDLN CCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000083956059 473377604 /nfs/dbraw/zinc/37/76/04/473377604.db2.gz IQMWOZXALISSEF-UHFFFAOYSA-N 0 2 342.402 2.508 20 5 EFBDLN Cc1conc1NC(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000618468071 469994936 /nfs/dbraw/zinc/99/49/36/469994936.db2.gz MFDNOOQYMHWLDT-UHFFFAOYSA-N 0 2 332.135 2.968 20 5 EFBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000006316168 471539667 /nfs/dbraw/zinc/53/96/67/471539667.db2.gz QWODSCRFRKJTNC-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000008104709 471661902 /nfs/dbraw/zinc/66/19/02/471661902.db2.gz QWLDZTCHXATNIQ-UHFFFAOYSA-N 0 2 344.295 2.682 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000033747500 471986716 /nfs/dbraw/zinc/98/67/16/471986716.db2.gz ONVCTLMJAMCKMH-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc3c[nH]nc32)c1C ZINC000024425509 472054178 /nfs/dbraw/zinc/05/41/78/472054178.db2.gz YKTCCCOMGYLHSP-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1F ZINC000055546119 472201945 /nfs/dbraw/zinc/20/19/45/472201945.db2.gz WLBZBZCJMTXDIP-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055563876 472204173 /nfs/dbraw/zinc/20/41/73/472204173.db2.gz SZSZBQTXZPDIIW-UHFFFAOYSA-N 0 2 336.369 2.967 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000088330146 472356654 /nfs/dbraw/zinc/35/66/54/472356654.db2.gz OFDHNRIMRFDLLY-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000031993610 472407479 /nfs/dbraw/zinc/40/74/79/472407479.db2.gz MGABIGXFYLRYLS-UHFFFAOYSA-N 0 2 346.339 2.638 20 5 EFBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c[nH]nc21 ZINC000032590082 472444851 /nfs/dbraw/zinc/44/48/51/472444851.db2.gz FVGHMNJBDORBLL-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN Cc1cccc(OC[C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000097130255 472456631 /nfs/dbraw/zinc/45/66/31/472456631.db2.gz RXBSUFLXFVZQNV-LBPRGKRZSA-N 0 2 330.340 2.806 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1N1CCCCC1 ZINC000089541100 472457510 /nfs/dbraw/zinc/45/75/10/472457510.db2.gz DJEJOXPHLRGCGT-UHFFFAOYSA-N 0 2 342.355 2.938 20 5 EFBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000057752332 472470610 /nfs/dbraw/zinc/47/06/10/472470610.db2.gz LHZPRDMIYOUQFT-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN Cc1cccc([C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000097163934 472471456 /nfs/dbraw/zinc/47/14/56/472471456.db2.gz BFSOZPBIRPRMJQ-OAHLLOKOSA-N 0 2 327.340 2.981 20 5 EFBDLN CCOc1cc(C)ccc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000155124059 472510756 /nfs/dbraw/zinc/51/07/56/472510756.db2.gz PIAUPBCYCNXEHD-UHFFFAOYSA-N 0 2 330.340 2.938 20 5 EFBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cc(Cl)ccn1 ZINC000103201836 472618057 /nfs/dbraw/zinc/61/80/57/472618057.db2.gz NZPJXPCVYCSIPW-UHFFFAOYSA-N 0 2 344.718 2.681 20 5 EFBDLN Cc1noc(C)c1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000091054411 472688762 /nfs/dbraw/zinc/68/87/62/472688762.db2.gz FXDBWYROUFMNDP-UHFFFAOYSA-N 0 2 325.346 2.617 20 5 EFBDLN CN(CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1F ZINC000132325043 472727108 /nfs/dbraw/zinc/72/71/08/472727108.db2.gz IBYSMVSQENEXTH-UHFFFAOYSA-N 0 2 347.346 2.696 20 5 EFBDLN Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000105564682 472759191 /nfs/dbraw/zinc/75/91/91/472759191.db2.gz INAGCCCTZPHDCO-UHFFFAOYSA-N 0 2 327.749 2.752 20 5 EFBDLN O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000105944144 472811576 /nfs/dbraw/zinc/81/15/76/472811576.db2.gz XKCIDTOFJYXZOJ-UHFFFAOYSA-N 0 2 338.323 2.798 20 5 EFBDLN Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n[nH]1 ZINC000157610319 472839453 /nfs/dbraw/zinc/83/94/53/472839453.db2.gz MIUNSOKNDMKPKG-UHFFFAOYSA-N 0 2 339.311 2.646 20 5 EFBDLN CC1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)Cc2ccccc2C1 ZINC000092134966 472864889 /nfs/dbraw/zinc/86/48/89/472864889.db2.gz YTXZYXNRBROJKV-UHFFFAOYSA-N 0 2 326.352 2.835 20 5 EFBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCc2ccccc2C1 ZINC000157920062 472874834 /nfs/dbraw/zinc/87/48/34/472874834.db2.gz WTFVQDRFPGBBFM-CQSZACIVSA-N 0 2 326.352 2.930 20 5 EFBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCc2ccccc2C1 ZINC000157920206 472874918 /nfs/dbraw/zinc/87/49/18/472874918.db2.gz WTFVQDRFPGBBFM-AWEZNQCLSA-N 0 2 326.352 2.930 20 5 EFBDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000158527714 472943836 /nfs/dbraw/zinc/94/38/36/472943836.db2.gz JFKYZHDNXZWYJO-UHFFFAOYSA-N 0 2 334.353 2.907 20 5 EFBDLN Cc1cc(C)cc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000065697768 473000517 /nfs/dbraw/zinc/00/05/17/473000517.db2.gz FLBDAPMZEYPJKO-UHFFFAOYSA-N 0 2 330.340 2.726 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Cl)c2O)c1 ZINC000160389089 473115340 /nfs/dbraw/zinc/11/53/40/473115340.db2.gz DVAJLHPHYZBRPW-UHFFFAOYSA-N 0 2 328.733 2.755 20 5 EFBDLN Cc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1[N+](=O)[O-] ZINC000160561984 473141637 /nfs/dbraw/zinc/14/16/37/473141637.db2.gz SXJWZUJEOFLGMG-UHFFFAOYSA-N 0 2 330.369 2.838 20 5 EFBDLN Cc1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000093930670 473164227 /nfs/dbraw/zinc/16/42/27/473164227.db2.gz UUOURUAAOUTQES-UHFFFAOYSA-N 0 2 328.296 2.982 20 5 EFBDLN CCCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[nH]n1 ZINC000177776093 473433059 /nfs/dbraw/zinc/43/30/59/473433059.db2.gz ZYERIWSIMGDQSK-UHFFFAOYSA-N 0 2 338.389 2.770 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000126093354 473487293 /nfs/dbraw/zinc/48/72/93/473487293.db2.gz NIJOMJNZITUWMV-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN O=C(Nc1cnn(-c2ccccc2F)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000164921046 473501592 /nfs/dbraw/zinc/50/15/92/473501592.db2.gz KATRUIOLPLTTKC-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(N[C@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1O ZINC000185769617 473510169 /nfs/dbraw/zinc/51/01/69/473510169.db2.gz IWYSZGJNWPSJJY-ZDUSSCGKSA-N 0 2 332.287 2.693 20 5 EFBDLN O=C(CCc1nc(-c2ccoc2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166113313 473521431 /nfs/dbraw/zinc/52/14/31/473521431.db2.gz WKKFKFTVEONIHM-UHFFFAOYSA-N 0 2 344.283 2.515 20 5 EFBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000191796031 473577596 /nfs/dbraw/zinc/57/75/96/473577596.db2.gz TXPVGTTWHUCOCU-UHFFFAOYSA-N 0 2 348.384 2.680 20 5 EFBDLN CCCn1cc[nH+]c1CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000192250013 473656795 /nfs/dbraw/zinc/65/67/95/473656795.db2.gz DCUUUQPAASYALB-UHFFFAOYSA-N 0 2 346.387 2.612 20 5 EFBDLN O=C(NCCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1O ZINC000179455840 473688562 /nfs/dbraw/zinc/68/85/62/473688562.db2.gz BAFKKRFYTXLXLP-UHFFFAOYSA-N 0 2 340.339 2.539 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2[nH]cnc21 ZINC000172834536 473690704 /nfs/dbraw/zinc/69/07/04/473690704.db2.gz JVFGRZXVHOXCAB-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN CCn1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000172903844 473699902 /nfs/dbraw/zinc/69/99/02/473699902.db2.gz GJIJCMLYJFNSIB-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cccc1F ZINC000186900153 473778658 /nfs/dbraw/zinc/77/86/58/473778658.db2.gz YMNDOAHMYNYQJS-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN COc1cc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000187069695 473811617 /nfs/dbraw/zinc/81/16/17/473811617.db2.gz BUUNONFQJNRXJY-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000281989443 473908770 /nfs/dbraw/zinc/90/87/70/473908770.db2.gz ZRCOSWNCMIMVAN-CQSZACIVSA-N 0 2 344.371 2.884 20 5 EFBDLN C[C@H](O)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000182106166 474100696 /nfs/dbraw/zinc/10/06/96/474100696.db2.gz RMPFZGHGYYFUHP-JSGCOSHPSA-N 0 2 344.367 2.585 20 5 EFBDLN O=C(NCc1csc(-c2ccco2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000182121199 474104071 /nfs/dbraw/zinc/10/40/71/474104071.db2.gz VLBLKMNQOPKDRP-UHFFFAOYSA-N 0 2 345.336 2.947 20 5 EFBDLN C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182150607 474110321 /nfs/dbraw/zinc/11/03/21/474110321.db2.gz RUAAEZCOMJAOAB-RNCFNFMXSA-N 0 2 336.369 2.604 20 5 EFBDLN CC(=O)Nc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C ZINC000183418102 474378096 /nfs/dbraw/zinc/37/80/96/474378096.db2.gz HZYLHSTYAHIJLC-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183556249 474392222 /nfs/dbraw/zinc/39/22/22/474392222.db2.gz UMSSHXBUXWAUHM-UHFFFAOYSA-N 0 2 329.312 2.820 20 5 EFBDLN Cc1nc([C@@H]2CCC[N@@H+](CC=Cc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000271341609 474499190 /nfs/dbraw/zinc/49/91/90/474499190.db2.gz OLGRDYSRTOUTBY-NFBGWVBBSA-N 0 2 327.388 2.914 20 5 EFBDLN Cc1cc(S(=O)(=O)Nc2nnc(C(C)C)s2)ccc1[N+](=O)[O-] ZINC000176596333 474505529 /nfs/dbraw/zinc/50/55/29/474505529.db2.gz OVXAJAXPRYMVKQ-UHFFFAOYSA-N 0 2 342.402 2.679 20 5 EFBDLN Cn1ccnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184675409 474580573 /nfs/dbraw/zinc/58/05/73/474580573.db2.gz NVTBQBAKCLMRFG-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@H](COc2ccccc2)C1 ZINC000273030293 474681116 /nfs/dbraw/zinc/68/11/16/474681116.db2.gz SVHXAYXENIJYDS-ZDUSSCGKSA-N 0 2 342.351 2.842 20 5 EFBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(F)c1 ZINC000337191072 474768695 /nfs/dbraw/zinc/76/86/95/474768695.db2.gz SFCKPKXJCNLRMU-UHFFFAOYSA-N 0 2 340.332 2.933 20 5 EFBDLN Cc1ccc(O)c(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)c1 ZINC000609202658 480126786 /nfs/dbraw/zinc/12/67/86/480126786.db2.gz USRCJPDAVMITSA-UHFFFAOYSA-N 0 2 338.323 2.673 20 5 EFBDLN O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000273366064 474862252 /nfs/dbraw/zinc/86/22/52/474862252.db2.gz KGYBLQVCYYSZQR-UHFFFAOYSA-N 0 2 328.328 2.548 20 5 EFBDLN COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000613865303 480135275 /nfs/dbraw/zinc/13/52/75/480135275.db2.gz YUDISLMCVSHBFT-UHFFFAOYSA-N 0 2 346.339 2.590 20 5 EFBDLN CC(C)(C(=O)NO[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1F ZINC000273994965 475154500 /nfs/dbraw/zinc/15/45/00/475154500.db2.gz YDRORWZGLTYLTI-CYBMUJFWSA-N 0 2 326.324 2.586 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)cn1 ZINC000337780322 475317713 /nfs/dbraw/zinc/31/77/13/475317713.db2.gz SPCGSXYSXLRBFD-UHFFFAOYSA-N 0 2 344.352 2.647 20 5 EFBDLN O=C(NCc1c(F)cc(F)cc1F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000358018695 475338518 /nfs/dbraw/zinc/33/85/18/475338518.db2.gz ZBJJCAJHZWBSKY-UHFFFAOYSA-N 0 2 326.230 2.648 20 5 EFBDLN COc1cc(CSc2n[n-]c(=[NH2+])n2C(C)C)c([N+](=O)[O-])cc1F ZINC000361578365 475564885 /nfs/dbraw/zinc/56/48/85/475564885.db2.gz RCEJWACIOUZCJR-UHFFFAOYSA-N 0 2 341.368 2.620 20 5 EFBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(F)c1 ZINC000361590177 475576143 /nfs/dbraw/zinc/57/61/43/475576143.db2.gz SZOAPSQDRKBXHH-UHFFFAOYSA-N 0 2 325.321 2.547 20 5 EFBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1CC(C)C ZINC000346497604 475611445 /nfs/dbraw/zinc/61/14/45/475611445.db2.gz YVYMIMUJGSXQSD-UHFFFAOYSA-N 0 2 338.389 2.557 20 5 EFBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc3c2CCO3)c1C ZINC000358493841 475722721 /nfs/dbraw/zinc/72/27/21/475722721.db2.gz IPTHUCWZOKHWTN-UHFFFAOYSA-N 0 2 348.380 2.947 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C(F)F)c2)c1C ZINC000361770350 475736090 /nfs/dbraw/zinc/73/60/90/475736090.db2.gz FBKDUMQFWBSMPP-UHFFFAOYSA-N 0 2 346.315 2.604 20 5 EFBDLN O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348770439 475860154 /nfs/dbraw/zinc/86/01/54/475860154.db2.gz MEMVEUYJUDJNSA-GUYCJALGSA-N 0 2 342.351 2.808 20 5 EFBDLN O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000348770437 475860211 /nfs/dbraw/zinc/86/02/11/475860211.db2.gz MEMVEUYJUDJNSA-CXAGYDPISA-N 0 2 342.351 2.808 20 5 EFBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000336859779 476145020 /nfs/dbraw/zinc/14/50/20/476145020.db2.gz KUWAJSNZWDXZLU-UHFFFAOYSA-N 0 2 346.723 2.894 20 5 EFBDLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000340673681 476197170 /nfs/dbraw/zinc/19/71/70/476197170.db2.gz JQHVPDZBMSOVQA-UHFFFAOYSA-N 0 2 346.368 2.889 20 5 EFBDLN COc1ccc(=NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]n1 ZINC000340701756 476218194 /nfs/dbraw/zinc/21/81/94/476218194.db2.gz RLHWSCOGOLYARU-UHFFFAOYSA-N 0 2 326.312 2.687 20 5 EFBDLN O=C(NCCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000340764207 476259922 /nfs/dbraw/zinc/25/99/22/476259922.db2.gz AWGAFLBWLRHFOY-UHFFFAOYSA-N 0 2 337.335 2.821 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2O)c([N+](=O)[O-])c1 ZINC000360630812 476323440 /nfs/dbraw/zinc/32/34/40/476323440.db2.gz XHKYFIMKSTWKCZ-UHFFFAOYSA-N 0 2 326.305 2.549 20 5 EFBDLN Cc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1[N+](=O)[O-] ZINC000357337918 476337083 /nfs/dbraw/zinc/33/70/83/476337083.db2.gz ZHSKNRFVRCDVRA-UHFFFAOYSA-N 0 2 349.324 2.551 20 5 EFBDLN O=C(Nc1ccccc1O[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357667562 476527710 /nfs/dbraw/zinc/52/77/10/476527710.db2.gz DKSOIACXWFMDHU-LBPRGKRZSA-N 0 2 344.323 2.720 20 5 EFBDLN Cc1nc2sccn2c1CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000357669792 476528242 /nfs/dbraw/zinc/52/82/42/476528242.db2.gz LIXHHOVZISVCJB-UHFFFAOYSA-N 0 2 346.368 2.590 20 5 EFBDLN CC(C)n1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000354268050 476549073 /nfs/dbraw/zinc/54/90/73/476549073.db2.gz WGVYMUGHUJJKRD-UHFFFAOYSA-N 0 2 330.344 2.819 20 5 EFBDLN CN1Cc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2NC1=O ZINC000375407113 476821864 /nfs/dbraw/zinc/82/18/64/476821864.db2.gz YQYUWBJHTPWUBK-UHFFFAOYSA-N 0 2 342.311 2.530 20 5 EFBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](Oc2ccccc2)C1 ZINC000375749301 476985179 /nfs/dbraw/zinc/98/51/79/476985179.db2.gz DDEQLBSCOXZCCQ-OAHLLOKOSA-N 0 2 342.351 2.984 20 5 EFBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000371552622 477384014 /nfs/dbraw/zinc/38/40/14/477384014.db2.gz KEIDNFIPPIQEKP-UHFFFAOYSA-N 0 2 348.305 2.893 20 5 EFBDLN Cn1nc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000436535071 477508007 /nfs/dbraw/zinc/50/80/07/477508007.db2.gz LYPQPMFSZATBGI-UHFFFAOYSA-N 0 2 331.115 2.593 20 5 EFBDLN Cc1[nH]nc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1[N+](=O)[O-] ZINC000436690347 477559035 /nfs/dbraw/zinc/55/90/35/477559035.db2.gz UNNPSEMVCPFFOQ-UHFFFAOYSA-N 0 2 331.115 2.891 20 5 EFBDLN O=C(NCCc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1O ZINC000436753505 477581987 /nfs/dbraw/zinc/58/19/87/477581987.db2.gz VPHKBJXNQJCEKJ-UHFFFAOYSA-N 0 2 337.335 2.821 20 5 EFBDLN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1-c1ccccc1 ZINC000436807573 477595677 /nfs/dbraw/zinc/59/56/77/477595677.db2.gz IWFBKWDLMVPZOX-UHFFFAOYSA-N 0 2 338.323 2.953 20 5 EFBDLN COC(=O)c1ccc2nc(-c3ccc(O)c([N+](=O)[O-])c3)n(C)c2c1 ZINC000436819670 477600600 /nfs/dbraw/zinc/60/06/00/477600600.db2.gz ZEONMHPZWIRIBM-UHFFFAOYSA-N 0 2 327.296 2.641 20 5 EFBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(O)c(F)c1 ZINC000436827169 477602448 /nfs/dbraw/zinc/60/24/48/477602448.db2.gz RQPDQGHHXAIWOJ-UHFFFAOYSA-N 0 2 336.294 2.893 20 5 EFBDLN O=C(NCCCNc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436832616 477605491 /nfs/dbraw/zinc/60/54/91/477605491.db2.gz JKAYSAVITTWRAB-UHFFFAOYSA-N 0 2 333.319 2.672 20 5 EFBDLN O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436868799 477620318 /nfs/dbraw/zinc/62/03/18/477620318.db2.gz KFOJKUXLNHNUJU-CQSZACIVSA-N 0 2 344.323 2.720 20 5 EFBDLN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436897783 477628737 /nfs/dbraw/zinc/62/87/37/477628737.db2.gz UGHUHZBWKTYQQZ-QLJPJBMISA-N 0 2 348.330 2.946 20 5 EFBDLN O=C(NCc1nc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])cc1O ZINC000436907818 477631815 /nfs/dbraw/zinc/63/18/15/477631815.db2.gz TYEWKLOJIAQLOJ-UHFFFAOYSA-N 0 2 331.259 2.511 20 5 EFBDLN COc1cccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000436930856 477639644 /nfs/dbraw/zinc/63/96/44/477639644.db2.gz IZJGIVKLOQSMOV-UHFFFAOYSA-N 0 2 342.351 2.771 20 5 EFBDLN CCN(C(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000436948033 477644617 /nfs/dbraw/zinc/64/46/17/477644617.db2.gz GDUHWCWCSAXKJN-UHFFFAOYSA-N 0 2 346.339 2.984 20 5 EFBDLN O=C(NCc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436950096 477644893 /nfs/dbraw/zinc/64/48/93/477644893.db2.gz YDUWDWVSCMVLTD-UHFFFAOYSA-N 0 2 338.266 2.832 20 5 EFBDLN CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436959256 477648289 /nfs/dbraw/zinc/64/82/89/477648289.db2.gz MIFBONBUEPVUHP-QLJPJBMISA-N 0 2 348.330 2.946 20 5 EFBDLN CCOc1cccc([C@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436959743 477648882 /nfs/dbraw/zinc/64/88/82/477648882.db2.gz NZYMGFUGLMWNTH-GDBMZVCRSA-N 0 2 342.351 2.985 20 5 EFBDLN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)COCc1ccccc1 ZINC000436958283 477649604 /nfs/dbraw/zinc/64/96/04/477649604.db2.gz GCEAMKJMYLNOBA-CYBMUJFWSA-N 0 2 344.367 2.883 20 5 EFBDLN COc1cccc(CCCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436962950 477650347 /nfs/dbraw/zinc/65/03/47/477650347.db2.gz GCKVYWLLQVWIGG-UHFFFAOYSA-N 0 2 330.340 2.672 20 5 EFBDLN COc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436965868 477651003 /nfs/dbraw/zinc/65/10/03/477651003.db2.gz LCDUIDTWTNSXPU-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN COc1cccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436965865 477651637 /nfs/dbraw/zinc/65/16/37/477651637.db2.gz LCDUIDTWTNSXPU-LLVKDONJSA-N 0 2 346.339 2.506 20 5 EFBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436970378 477651864 /nfs/dbraw/zinc/65/18/64/477651864.db2.gz DGDDVKKRWVEJQI-CYBMUJFWSA-N 0 2 341.367 2.699 20 5 EFBDLN CCc1nc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)sc1C ZINC000436966662 477652561 /nfs/dbraw/zinc/65/25/61/477652561.db2.gz OMEBUHHGOPULIH-UHFFFAOYSA-N 0 2 335.385 2.600 20 5 EFBDLN COc1ccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436971745 477654765 /nfs/dbraw/zinc/65/47/65/477654765.db2.gz KTNKOZJULYKCPQ-NSHDSACASA-N 0 2 346.339 2.506 20 5 EFBDLN CCc1nc([C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000368381203 477801724 /nfs/dbraw/zinc/80/17/24/477801724.db2.gz UMYZTNINRWPWBS-LBPRGKRZSA-N 0 2 346.343 2.613 20 5 EFBDLN Cc1oc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1C1CC1 ZINC000451055047 477803927 /nfs/dbraw/zinc/80/39/27/477803927.db2.gz NEZHLNFKTLWOCS-UHFFFAOYSA-N 0 2 337.357 2.878 20 5 EFBDLN C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(F)F ZINC000451073548 477811200 /nfs/dbraw/zinc/81/12/00/477811200.db2.gz RJGWRLJLHYCUKJ-LURJTMIESA-N 0 2 328.724 2.570 20 5 EFBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(n2)CCC3)c1C ZINC000451099081 477821596 /nfs/dbraw/zinc/82/15/96/477821596.db2.gz ZSORBSFROPMBCI-UHFFFAOYSA-N 0 2 347.396 2.896 20 5 EFBDLN CCOCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000438726813 477881287 /nfs/dbraw/zinc/88/12/87/477881287.db2.gz VLCLFDWFJXALTO-UHFFFAOYSA-N 0 2 336.369 2.932 20 5 EFBDLN Cc1noc2ncc(NS(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])cc12 ZINC000438774722 477883481 /nfs/dbraw/zinc/88/34/81/477883481.db2.gz RUWGNWINYDPJGO-UHFFFAOYSA-N 0 2 348.340 2.549 20 5 EFBDLN CCc1cc(NC[C@@H](C)CC(=O)[O-])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000516297592 477921197 /nfs/dbraw/zinc/92/11/97/477921197.db2.gz GYPVYOAXBVBHQK-NSHDSACASA-N 0 2 344.371 2.559 20 5 EFBDLN O=C(NC1CCc2ccccc2CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000456451896 477940382 /nfs/dbraw/zinc/94/03/82/477940382.db2.gz HCEYCQLWIFWCIB-UHFFFAOYSA-N 0 2 326.352 2.978 20 5 EFBDLN CC(C)(CO)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000597577047 478416714 /nfs/dbraw/zinc/41/67/14/478416714.db2.gz FTGCIIUFLVSZIG-MRXNPFEDSA-N 0 2 344.367 2.790 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000594730508 478518751 /nfs/dbraw/zinc/51/87/51/478518751.db2.gz LKFXROIJPMQGKE-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN CCn1ncc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000594730541 478518911 /nfs/dbraw/zinc/51/89/11/478518911.db2.gz NDPZEEVCULUQAV-UHFFFAOYSA-N 0 2 338.389 2.537 20 5 EFBDLN CCC[C@H](OCC)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000600816182 478532353 /nfs/dbraw/zinc/53/23/53/478532353.db2.gz FICYZCOLGAOHMH-LBPRGKRZSA-N 0 2 333.348 2.524 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000564572416 478762830 /nfs/dbraw/zinc/76/28/30/478762830.db2.gz QUNRJXDTOBFPKB-UHFFFAOYSA-N 0 2 342.355 2.769 20 5 EFBDLN C[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C(=O)[O-])C1 ZINC000564662755 478781763 /nfs/dbraw/zinc/78/17/63/478781763.db2.gz VQQVZMGAEFONIX-ABAIWWIYSA-N 0 2 345.355 2.935 20 5 EFBDLN C[C@@H]1CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C(=O)[O-])C1 ZINC000564662755 478781776 /nfs/dbraw/zinc/78/17/76/478781776.db2.gz VQQVZMGAEFONIX-ABAIWWIYSA-N 0 2 345.355 2.935 20 5 EFBDLN CCOC(=O)c1ccnc(Nc2ccn(CCC(C)C)n2)c1[N+](=O)[O-] ZINC000503297542 478838081 /nfs/dbraw/zinc/83/80/81/478838081.db2.gz GCWWYODNRLOJBV-UHFFFAOYSA-N 0 2 347.375 2.575 20 5 EFBDLN CCc1n[nH]c(NS(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)c1C ZINC000592384846 478877617 /nfs/dbraw/zinc/87/76/17/478877617.db2.gz CJEQWCNGSUKDHV-UHFFFAOYSA-N 0 2 338.389 2.552 20 5 EFBDLN COC(=O)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1C ZINC000611460887 479384883 /nfs/dbraw/zinc/38/48/83/479384883.db2.gz HTDINZVACAJXHD-UHFFFAOYSA-N 0 2 336.325 2.709 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000611498224 479396106 /nfs/dbraw/zinc/39/61/06/479396106.db2.gz ORDQTAFGDMXDDM-UHFFFAOYSA-N 0 2 331.737 2.599 20 5 EFBDLN CCc1cnc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000611498180 479396517 /nfs/dbraw/zinc/39/65/17/479396517.db2.gz GVDOEWOBMHCADY-UHFFFAOYSA-N 0 2 325.346 2.563 20 5 EFBDLN Cc1cc(N2CCC(n3cc[nH+]c3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575127414 479408086 /nfs/dbraw/zinc/40/80/86/479408086.db2.gz HNCYGYBLALYZQD-UHFFFAOYSA-N 0 2 330.344 2.639 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000593739430 479442436 /nfs/dbraw/zinc/44/24/36/479442436.db2.gz DIPOEDDRIBDOMV-HNNXBMFYSA-N 0 2 348.380 2.928 20 5 EFBDLN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCO[C@H](c3ccsc3)C2)c1 ZINC000593739430 479442444 /nfs/dbraw/zinc/44/24/44/479442444.db2.gz DIPOEDDRIBDOMV-HNNXBMFYSA-N 0 2 348.380 2.928 20 5 EFBDLN Cn1c2ccccc2nc1-n1[nH]c(-c2ccc([N+](=O)[O-])cc2)cc1=O ZINC000603924029 479452920 /nfs/dbraw/zinc/45/29/20/479452920.db2.gz WJIXXCJVQIEOGE-UHFFFAOYSA-N 0 2 335.323 2.623 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000604485758 479525180 /nfs/dbraw/zinc/52/51/80/479525180.db2.gz XVOZQJPPFGZEHH-CQSZACIVSA-N 0 2 328.324 2.983 20 5 EFBDLN COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000613973548 480158738 /nfs/dbraw/zinc/15/87/38/480158738.db2.gz SVCDMJGTWNCPCG-AWEZNQCLSA-N 0 2 344.323 2.563 20 5 EFBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000614292115 480256994 /nfs/dbraw/zinc/25/69/94/480256994.db2.gz JTDKALBWTUEJGM-UHFFFAOYSA-N 0 2 338.389 2.656 20 5 EFBDLN C[C@@H](C[C@@H](O)c1ccc(F)cc1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158429425 534197504 /nfs/dbraw/zinc/19/75/04/534197504.db2.gz KNXGGYVVZCRNEQ-ZUZCIYMTSA-N 0 2 348.330 2.682 20 5 EFBDLN Cc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)s1 ZINC000191901705 534588406 /nfs/dbraw/zinc/58/84/06/534588406.db2.gz RKLTVOXRKLGBLK-UHFFFAOYSA-N 0 2 327.387 2.777 20 5 EFBDLN COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000057557879 521809389 /nfs/dbraw/zinc/80/93/89/521809389.db2.gz YPUXGVGATMTUSN-UHFFFAOYSA-N 0 2 345.355 2.593 20 5 EFBDLN CN(CCOc1ccc(F)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000078228763 522910654 /nfs/dbraw/zinc/91/06/54/522910654.db2.gz APFKWJWYHFPOPJ-UHFFFAOYSA-N 0 2 334.303 2.591 20 5 EFBDLN CN(CCOc1ccccc1F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073068225 522921030 /nfs/dbraw/zinc/92/10/30/522921030.db2.gz PNSAMNSYRXHNHO-UHFFFAOYSA-N 0 2 334.303 2.591 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(c2ccccc2)CC1 ZINC000132420749 534719222 /nfs/dbraw/zinc/71/92/22/534719222.db2.gz CYIYWKOFDBUAJR-UHFFFAOYSA-N 0 2 341.367 2.653 20 5 EFBDLN O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000158539239 534751474 /nfs/dbraw/zinc/75/14/74/534751474.db2.gz TWFGKGNYXMKOCH-PBHICJAKSA-N 0 2 342.351 2.951 20 5 EFBDLN CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000194745082 534760469 /nfs/dbraw/zinc/76/04/69/534760469.db2.gz XKBVSLSBKIGQBS-JTQLQIEISA-N 0 2 343.339 2.750 20 5 EFBDLN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccccc2)O1 ZINC000063109897 524534752 /nfs/dbraw/zinc/53/47/52/524534752.db2.gz BUEYDMYUCMPFRZ-SJCJKPOMSA-N 0 2 342.351 2.903 20 5 EFBDLN Cc1cccc(OC[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000065115925 524754313 /nfs/dbraw/zinc/75/43/13/524754313.db2.gz RXBSUFLXFVZQNV-GFCCVEGCSA-N 0 2 330.340 2.806 20 5 EFBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000176669631 525470870 /nfs/dbraw/zinc/47/08/70/525470870.db2.gz QXYVHLXVJGGBHA-UHFFFAOYSA-N 0 2 340.332 2.852 20 5 EFBDLN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531654 525930395 /nfs/dbraw/zinc/93/03/95/525930395.db2.gz APOILRMMZHKEHB-MRVPVSSYSA-N 0 2 338.266 2.985 20 5 EFBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000183380560 534887630 /nfs/dbraw/zinc/88/76/30/534887630.db2.gz XVBMKJMCUCJKTR-UHFFFAOYSA-N 0 2 339.398 2.871 20 5 EFBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccccc2[nH]1 ZINC000105781544 526087550 /nfs/dbraw/zinc/08/75/50/526087550.db2.gz DSXQZHWIEBWYNJ-UHFFFAOYSA-N 0 2 332.341 2.580 20 5 EFBDLN C[C@H](c1ccccc1)[C@](C)(O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180775367 526107229 /nfs/dbraw/zinc/10/72/29/526107229.db2.gz KHSARTXNTJNMEP-DIFFPNOSSA-N 0 2 330.340 2.794 20 5 EFBDLN O=C(CCc1nc(-c2ccco2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540824 526646723 /nfs/dbraw/zinc/64/67/23/526646723.db2.gz CGOFEPIGDGBIOY-UHFFFAOYSA-N 0 2 344.283 2.515 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2ccccc2F)C1 ZINC000067177277 526713700 /nfs/dbraw/zinc/71/37/00/526713700.db2.gz IPBPFZAFVDDMGU-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000067177447 526714003 /nfs/dbraw/zinc/71/40/03/526714003.db2.gz KDMGDTDGPIQMAJ-INIZCTEOSA-N 0 2 346.314 2.653 20 5 EFBDLN O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000194387589 527150078 /nfs/dbraw/zinc/15/00/78/527150078.db2.gz ZVSPPWQMQURXNJ-UHFFFAOYSA-N 0 2 342.286 2.878 20 5 EFBDLN O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc2nn[nH]c2c1 ZINC000121368872 527202046 /nfs/dbraw/zinc/20/20/46/527202046.db2.gz MUIQYBNXPGHNTN-UHFFFAOYSA-N 0 2 336.311 2.529 20 5 EFBDLN O=C(Nc1cccc(-c2nnco2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000126514775 527317119 /nfs/dbraw/zinc/31/71/19/527317119.db2.gz YVFVCDQVGFKQKL-UHFFFAOYSA-N 0 2 326.268 2.603 20 5 EFBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179096876 527405480 /nfs/dbraw/zinc/40/54/80/527405480.db2.gz DSVFCEGIQRKEMI-UHFFFAOYSA-N 0 2 344.352 2.786 20 5 EFBDLN COc1ccccc1C1(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000356290627 537008268 /nfs/dbraw/zinc/00/82/68/537008268.db2.gz GMXCCSZXFIITHH-UHFFFAOYSA-N 0 2 328.324 2.979 20 5 EFBDLN Cc1cc2c(cc1[N+](=O)[O-])N(CC(=O)NOCc1ccccc1)CC2 ZINC000754103688 575390918 /nfs/dbraw/zinc/39/09/18/575390918.db2.gz AMFCXWWEKKUSRK-UHFFFAOYSA-N 0 2 341.367 2.514 20 5 EFBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)cc2O)cc1[N+](=O)[O-] ZINC000765101273 577007105 /nfs/dbraw/zinc/00/71/05/577007105.db2.gz CGLPGXIVBRIDTB-UHFFFAOYSA-N 0 2 344.295 2.688 20 5 EFBDLN CNc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cccc1[N+](=O)[O-] ZINC000765609215 577059410 /nfs/dbraw/zinc/05/94/10/577059410.db2.gz GOVWJQRXKWXTNT-UHFFFAOYSA-N 0 2 332.272 2.503 20 5 EFBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000770855325 581142045 /nfs/dbraw/zinc/14/20/45/581142045.db2.gz CELBPBDFBKFVMU-UHFFFAOYSA-N 0 2 342.267 2.942 20 5 EFBDLN Cc1nn(C)c(Cl)c1Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000771770149 581240684 /nfs/dbraw/zinc/24/06/84/581240684.db2.gz KZVPDZARVJMVAR-UHFFFAOYSA-N 0 2 349.734 2.637 20 5 EFBDLN CCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2ccccc21 ZINC000771923800 581259798 /nfs/dbraw/zinc/25/97/98/581259798.db2.gz WANWNLWJNGTMKA-UHFFFAOYSA-N 0 2 340.339 2.600 20 5 EFBDLN O=C(Nc1ccc2[nH]c(=S)[nH]c2c1)c1ccc([N+](=O)[O-])cc1O ZINC000773679418 581454965 /nfs/dbraw/zinc/45/49/65/581454965.db2.gz ZGUFTQQPNJWUTJ-UHFFFAOYSA-N 0 2 330.325 2.718 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633572 601884081 /nfs/dbraw/zinc/88/40/81/601884081.db2.gz YKBLVSBGMRBCAQ-LLVKDONJSA-N 0 2 330.793 2.640 20 5 EFBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093633572 601884083 /nfs/dbraw/zinc/88/40/83/601884083.db2.gz YKBLVSBGMRBCAQ-LLVKDONJSA-N 0 2 330.793 2.640 20 5 EFBDLN COC(=O)CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000787331561 1275746204 /nfs/dbraw/zinc/74/62/04/1275746204.db2.gz VXNWEJNKNLXESE-UHFFFAOYSA-N 0 2 344.323 2.658 20 5 EFBDLN C[C@@H]1c2ccc(Cl)n2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000808251801 1281606393 /nfs/dbraw/zinc/60/63/93/1281606393.db2.gz FGONTRLFUWMTMO-SECBINFHSA-N 0 2 335.747 2.972 20 5 EFBDLN Cc1c(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cccc1[N+](=O)[O-] ZINC000092546237 1290787270 /nfs/dbraw/zinc/78/72/70/1290787270.db2.gz SEBGGWFOSYIOIH-UHFFFAOYSA-N 0 2 331.284 2.698 20 5 EFBDLN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546096 1290787519 /nfs/dbraw/zinc/78/75/19/1290787519.db2.gz KFFVNVPVUPIBCG-UHFFFAOYSA-N 0 2 331.284 2.780 20 5 EFBDLN O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1O ZINC000775728408 1294295624 /nfs/dbraw/zinc/29/56/24/1294295624.db2.gz HPHGYHZAJLBHQH-UHFFFAOYSA-N 0 2 336.731 2.763 20 5 EFBDLN C[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000853989391 1300378277 /nfs/dbraw/zinc/37/82/77/1300378277.db2.gz MVCVMYMWXAYNAW-SCZZXKLOSA-N 0 2 349.284 2.627 20 5 EFBDLN CCS(=O)(=O)c1ccc(O)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210395406 1314325465 /nfs/dbraw/zinc/32/54/65/1314325465.db2.gz VQLGQSVXGGCEPV-UHFFFAOYSA-N 0 2 338.341 2.543 20 5 EFBDLN CC(C)(C)OC(=O)N1CC=C[C@H](Oc2cccc(O)c2[N+](=O)[O-])C1 ZINC001225620799 1311555217 /nfs/dbraw/zinc/55/52/17/1311555217.db2.gz VTWGWPANJGQMBU-NSHDSACASA-N 0 2 336.344 2.855 20 5 EFBDLN CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1cccc(O)c1[N+](=O)[O-] ZINC001225620194 1311555233 /nfs/dbraw/zinc/55/52/33/1311555233.db2.gz ONLAUYZGFIKIPI-CQSZACIVSA-N 0 2 345.355 2.642 20 5 EFBDLN CSc1nc(O[C@H]2CCCc3cccnc32)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624885 1311832872 /nfs/dbraw/zinc/83/28/72/1311832872.db2.gz ICKPVVYNPQMWPJ-VIFPVBQESA-N 0 2 334.357 2.664 20 5 EFBDLN Cc1cc2nc3nc(=O)[nH]c(O[C@H]4CCO[C@@H](C)C4)c3nc2cc1C ZINC001228687571 1311982513 /nfs/dbraw/zinc/98/25/13/1311982513.db2.gz XTLHYKVFEBALHZ-RYUDHWBXSA-N 0 2 340.383 2.842 20 5 EFBDLN COc1cccc(OC[C@H](C)Oc2cc(O)cc(O)c2[N+](=O)[O-])c1 ZINC001228974948 1312029965 /nfs/dbraw/zinc/02/99/65/1312029965.db2.gz VZDXXUONDQXRNH-JTQLQIEISA-N 0 2 335.312 2.861 20 5 EFBDLN COc1ccccc1OC[C@H](C)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228973197 1312030301 /nfs/dbraw/zinc/03/03/01/1312030301.db2.gz HSAGOJJJFHYINA-JTQLQIEISA-N 0 2 335.312 2.861 20 5 EFBDLN CCCOC[C@@H](C)Oc1nc(SCCC)[nH]c(=O)c1[N+](=O)[O-] ZINC001229791751 1312140790 /nfs/dbraw/zinc/14/07/90/1312140790.db2.gz LLAAFMQVOBARLR-SECBINFHSA-N 0 2 331.394 2.786 20 5 EFBDLN CCCCc1nnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000120036673 1314763726 /nfs/dbraw/zinc/76/37/26/1314763726.db2.gz UMAOPEQTYWRBMU-UHFFFAOYSA-N 0 2 348.431 2.651 20 5 EFBDLN Cn1ncc2ccc(-c3noc(-c4c(O)cccc4[N+](=O)[O-])n3)cc21 ZINC001216845595 1315014158 /nfs/dbraw/zinc/01/41/58/1315014158.db2.gz XAYLNEFABQNNOC-UHFFFAOYSA-N 0 2 337.295 2.904 20 5 EFBDLN Cn1cc2cccc(-c3noc(-c4c(O)cccc4[N+](=O)[O-])n3)c2n1 ZINC001216845394 1315014194 /nfs/dbraw/zinc/01/41/94/1315014194.db2.gz MQLHVGPZKQQUBW-UHFFFAOYSA-N 0 2 337.295 2.904 20 5 EFBDLN Cn1c2cc3nc[nH]c(=O)c3cc2nc1-c1cc([N+](=O)[O-])ccc1O ZINC001251046109 1315314097 /nfs/dbraw/zinc/31/40/97/1315314097.db2.gz RKGSDEPZZZISOF-UHFFFAOYSA-N 0 2 337.295 2.503 20 5 EFBDLN COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3O)[nH]c2cc1OC ZINC001251046495 1315314164 /nfs/dbraw/zinc/31/41/64/1315314164.db2.gz UCBYNUYAZNEWEE-UHFFFAOYSA-N 0 2 343.295 2.639 20 5 EFBDLN CC[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001262902548 1316501394 /nfs/dbraw/zinc/50/13/94/1316501394.db2.gz IGDWZIKJICAUEM-PWSUYJOCSA-N 0 2 331.376 2.721 20 5 EFBDLN O=C(c1cnn(-c2ccc([N+](=O)[O-])cn2)c1)c1cc(Cl)ccc1O ZINC001319112342 1328781203 /nfs/dbraw/zinc/78/12/03/1328781203.db2.gz CXYXJDQADVFDSS-UHFFFAOYSA-N 0 2 344.714 2.766 20 5 EFBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1(C(F)(F)F)CC1 ZINC001337587404 1324654070 /nfs/dbraw/zinc/65/40/70/1324654070.db2.gz ZGCTXZYHULHDNW-UHFFFAOYSA-N 0 2 344.698 2.621 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001338561575 1331716398 /nfs/dbraw/zinc/71/63/98/1331716398.db2.gz NTUHJKOVYSDRPX-DGCLKSJQSA-N 0 2 343.387 2.865 20 5 EFBDLN Cn1c(-c2ccc(O)c([N+](=O)[O-])c2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001338561577 1331716500 /nfs/dbraw/zinc/71/65/00/1331716500.db2.gz NTUHJKOVYSDRPX-WCQYABFASA-N 0 2 343.387 2.865 20 5 EFBDLN C[C@@H]1C[C@H](C)CN(c2nnc(-c3ccc(O)c([N+](=O)[O-])c3)n2C)C1 ZINC001339917585 1332113643 /nfs/dbraw/zinc/11/36/43/1332113643.db2.gz VXERNXGTDZHLSP-PHIMTYICSA-N 0 2 331.376 2.578 20 5 EFBDLN CC[C@H]1CCCCN1c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001351095412 1333179555 /nfs/dbraw/zinc/17/95/55/1333179555.db2.gz OJOKSBLLTZYKFO-LBPRGKRZSA-N 0 2 331.376 2.865 20 5 EFBDLN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)nc1 ZINC000152824353 717992709 /nfs/dbraw/zinc/99/27/09/717992709.db2.gz OBZZMEBFGUTMIX-UHFFFAOYSA-N 0 2 331.712 2.583 20 5 EFBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)ccc1F ZINC000007405654 723555982 /nfs/dbraw/zinc/55/59/82/723555982.db2.gz MTNQVUNJYNNVJV-UHFFFAOYSA-N 0 2 332.259 2.813 20 5 EFBDLN Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1[N+](=O)[O-] ZINC000059354300 728296142 /nfs/dbraw/zinc/29/61/42/728296142.db2.gz HJFGNKKCYTZIKO-UHFFFAOYSA-N 0 2 347.283 2.535 20 5 EFBDLN