smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccncc1 ZINC000001141848 203986441 /nfs/dbraw/zinc/98/64/41/203986441.db2.gz DYWPTNKZERBOMQ-UHFFFAOYSA-N 0 0 355.379 3.232 50 5 FGBARN Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Br ZINC000001154694 203988757 /nfs/dbraw/zinc/98/87/57/203988757.db2.gz QNHPDGRBMPYEJM-UHFFFAOYSA-N 0 0 360.167 3.365 50 5 FGBARN CCCOc1c(I)cc(/C=C/[N+](=O)[O-])cc1OC ZINC000002183780 204028946 /nfs/dbraw/zinc/02/89/46/204028946.db2.gz ZCYSHHFOMHKBJA-SNAWJCMRSA-N 0 0 363.151 3.336 50 5 FGBARN COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000002319101 204033631 /nfs/dbraw/zinc/03/36/31/204033631.db2.gz XMIRKOPGDTYNTQ-UHFFFAOYSA-N 0 0 357.297 3.254 50 5 FGBARN O=C(NCc1ccc(Cl)cc1)c1cccn2c(=O)c3ccccc3nc12 ZINC000002957257 204070276 /nfs/dbraw/zinc/07/02/76/204070276.db2.gz KMNWKKBWDQQVCV-UHFFFAOYSA-N 0 0 363.804 3.431 50 5 FGBARN COc1ccc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000002950007 204070658 /nfs/dbraw/zinc/07/06/58/204070658.db2.gz LAJHRKRRKHCKSL-QGZVFWFLSA-N 0 0 360.391 3.391 50 5 FGBARN CCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000002812582 204061489 /nfs/dbraw/zinc/06/14/89/204061489.db2.gz NDRUNYLUTBXLMB-JXAWBTAJSA-N 0 0 367.405 3.282 50 5 FGBARN COc1ccc([C@H]2Nn3c(nnc3-c3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000003843197 204111339 /nfs/dbraw/zinc/11/13/39/204111339.db2.gz BPOYZMWSMWLZOE-HNNXBMFYSA-N 0 0 355.379 3.210 50 5 FGBARN Cc1ccccc1N1C(=O)C(Cl)=C(Oc2ccc([N+](=O)[O-])cc2)C1=O ZINC000004043310 204119178 /nfs/dbraw/zinc/11/91/78/204119178.db2.gz AXXNBVSGZQZUBY-UHFFFAOYSA-N 0 0 358.737 3.306 50 5 FGBARN COC(=O)c1cc(C(=O)Nc2ccc(OC)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000003472296 204103196 /nfs/dbraw/zinc/10/31/96/204103196.db2.gz HYNBLOPLBFFWCV-UHFFFAOYSA-N 0 0 364.741 3.296 50 5 FGBARN C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O ZINC000003610885 204107858 /nfs/dbraw/zinc/10/78/58/204107858.db2.gz FODZOIISTJPZMP-KRWDZBQOSA-N 0 0 359.769 3.215 50 5 FGBARN O=C(c1cccc([N+](=O)[O-])c1)N1NC2=C(CCCCC2)[C@]1(O)C(F)(F)F ZINC000004565014 204148190 /nfs/dbraw/zinc/14/81/90/204148190.db2.gz JSVUKUKHVYXTDW-WFASDCNBSA-N 0 0 371.315 3.238 50 5 FGBARN Cc1nn([C@@H](C)C(=O)NCc2ccc(-n3cccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000004709395 204157709 /nfs/dbraw/zinc/15/77/09/204157709.db2.gz ZLEYAYKTBPKSAT-HNNXBMFYSA-N 0 0 367.409 3.076 50 5 FGBARN Cc1ccc(N2C(=O)[C@@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=O)cc1 ZINC000004738653 204159981 /nfs/dbraw/zinc/15/99/81/204159981.db2.gz PRKZXRSIBJGYED-DOTOQJQBSA-N 0 0 369.402 3.486 50 5 FGBARN COc1ccc([C@@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 ZINC000004743402 204160271 /nfs/dbraw/zinc/16/02/71/204160271.db2.gz DATDJCBBSJJHGI-GOSISDBHSA-N 0 0 355.350 3.017 50 5 FGBARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004808453 204163669 /nfs/dbraw/zinc/16/36/69/204163669.db2.gz FXRBRUJDBSDTFS-LLVKDONJSA-N 0 0 374.780 3.383 50 5 FGBARN O=C(CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004393956 204136473 /nfs/dbraw/zinc/13/64/73/204136473.db2.gz ZEFZWOIEFJCJNM-UHFFFAOYSA-N 0 0 372.337 3.251 50 5 FGBARN Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](O)c1ccccc1 ZINC000004843001 204169575 /nfs/dbraw/zinc/16/95/75/204169575.db2.gz PPPODDLAWROAQL-OAHLLOKOSA-N 0 0 356.407 3.097 50 5 FGBARN Cc1nn([C@@H](C)C2N=NC(=S)N2c2ccc(C)cc2)c(C)c1[N+](=O)[O-] ZINC000005426682 204208732 /nfs/dbraw/zinc/20/87/32/204208732.db2.gz XACBESBOYSQKEX-LBPRGKRZSA-N 0 0 358.427 3.195 50 5 FGBARN C[C@H]1CCCC[C@@H]1Nc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] ZINC000004922577 204176451 /nfs/dbraw/zinc/17/64/51/204176451.db2.gz AKGOPMGHSLLGAX-GWCFXTLKSA-N 0 0 351.794 3.058 50 5 FGBARN Cc1ccc(Cn2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000004940375 204178760 /nfs/dbraw/zinc/17/87/60/204178760.db2.gz XKOVGBOSADYPKD-UHFFFAOYSA-N 0 0 363.373 3.366 50 5 FGBARN Cc1c(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cccc1[N+](=O)[O-] ZINC000005055190 204187964 /nfs/dbraw/zinc/18/79/64/204187964.db2.gz NGCYMBNVSITVPH-UHFFFAOYSA-N 0 0 364.361 3.298 50 5 FGBARN COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000005687590 204221491 /nfs/dbraw/zinc/22/14/91/204221491.db2.gz MAIDHXMQJAPMNI-UHFFFAOYSA-N 0 0 371.393 3.465 50 5 FGBARN O=C1CS[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C1CCCCC1 ZINC000005943580 204232780 /nfs/dbraw/zinc/23/27/80/204232780.db2.gz OHGWUPRGGPMSLN-MRXNPFEDSA-N 0 0 350.396 3.230 50 5 FGBARN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2cc(F)ccc2[N+](=O)[O-])c1C ZINC000005994343 204234063 /nfs/dbraw/zinc/23/40/63/204234063.db2.gz RMEVUBVHDODEFS-SNVBAGLBSA-N 0 0 364.329 3.116 50 5 FGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(C(F)(F)F)cc1 ZINC000006647968 204258264 /nfs/dbraw/zinc/25/82/64/204258264.db2.gz QOVNKNKUXAIAMU-UHFFFAOYSA-N 0 0 358.228 3.002 50 5 FGBARN Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cccc1[N+](=O)[O-] ZINC000006200711 204241441 /nfs/dbraw/zinc/24/14/41/204241441.db2.gz PQQPJXAAVNYCCZ-VIFPVBQESA-N 0 0 373.434 3.441 50 5 FGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)NC1CCCCCCC1 ZINC000006321812 204244712 /nfs/dbraw/zinc/24/47/12/204244712.db2.gz RUXXVNQJGKOYBZ-JLHYYAGUSA-N 0 0 360.410 3.380 50 5 FGBARN COc1ccc(Nc2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000006398367 204247247 /nfs/dbraw/zinc/24/72/47/204247247.db2.gz VJSNINARHFYPOV-UHFFFAOYSA-N 0 0 352.354 3.463 50 5 FGBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccccn1 ZINC000006486326 204249876 /nfs/dbraw/zinc/24/98/76/204249876.db2.gz ANVPTSABAIERPO-UHFFFAOYSA-N 0 0 369.402 3.385 50 5 FGBARN Cc1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 ZINC000006590021 204254782 /nfs/dbraw/zinc/25/47/82/204254782.db2.gz BNCZWLHYHOXGAW-UHFFFAOYSA-N 0 0 355.350 3.230 50 5 FGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccccc1Cl ZINC000006947999 204283636 /nfs/dbraw/zinc/28/36/36/204283636.db2.gz QZVLFCKXNRGJJV-UHFFFAOYSA-N 0 0 363.801 3.327 50 5 FGBARN Cc1c(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000007269563 204292652 /nfs/dbraw/zinc/29/26/52/204292652.db2.gz DPJGMJLNQQEMJZ-UHFFFAOYSA-N 0 0 373.434 3.456 50 5 FGBARN COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1[N+](=O)[O-] ZINC000006857628 204276925 /nfs/dbraw/zinc/27/69/25/204276925.db2.gz LWUYHGORGFTNIW-HNNXBMFYSA-N 0 0 374.422 3.082 50 5 FGBARN C[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000007963131 204311540 /nfs/dbraw/zinc/31/15/40/204311540.db2.gz WPLRNQWYGOJIBB-HSBSLETESA-N 0 0 368.389 3.394 50 5 FGBARN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000007943105 204311693 /nfs/dbraw/zinc/31/16/93/204311693.db2.gz QIBXFJCGJBNBAG-SFHVURJKSA-N 0 0 351.362 3.498 50 5 FGBARN O=C(CCOc1ccccc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008008755 204315936 /nfs/dbraw/zinc/31/59/36/204315936.db2.gz KCLUYSWWPMDACC-UHFFFAOYSA-N 0 0 369.333 3.157 50 5 FGBARN CCc1ccc(N2C[C@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2=O)cc1 ZINC000008079263 204317819 /nfs/dbraw/zinc/31/78/19/204317819.db2.gz PSACKZNLQLFNEC-CYBMUJFWSA-N 0 0 371.368 3.288 50 5 FGBARN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc([N+](=O)[O-])c1 ZINC000007476560 204299850 /nfs/dbraw/zinc/29/98/50/204299850.db2.gz LDKSOVZGSQHZIF-UHFFFAOYSA-N 0 0 371.437 3.256 50 5 FGBARN Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)/C=C/c2cccs2)c1C ZINC000007549497 204300771 /nfs/dbraw/zinc/30/07/71/204300771.db2.gz YYVAKBMBFWKLOF-SOFGYWHQSA-N 0 0 360.391 3.468 50 5 FGBARN C[C@H]1C[C@H](C)CN(c2nc(Nc3cccc(F)c3)nc(N)c2[N+](=O)[O-])C1 ZINC000009242454 204359436 /nfs/dbraw/zinc/35/94/36/204359436.db2.gz SUEJPYKXMCQOHR-QWRGUYRKSA-N 0 0 360.393 3.332 50 5 FGBARN CC(C)c1nnc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)s1 ZINC000009426687 204366626 /nfs/dbraw/zinc/36/66/26/204366626.db2.gz WQOOBJSIHYVWOF-UHFFFAOYSA-N 0 0 352.441 3.442 50 5 FGBARN Cc1csc(-c2nonc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000009514216 204371977 /nfs/dbraw/zinc/37/19/77/204371977.db2.gz VYQIFTAQVHMEJQ-UHFFFAOYSA-N 0 0 365.758 3.315 50 5 FGBARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000009662674 204376716 /nfs/dbraw/zinc/37/67/16/204376716.db2.gz ZLJBJIUZASOJCK-UHFFFAOYSA-N 0 0 365.773 3.286 50 5 FGBARN O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2ncnc3sccc32)c1 ZINC000014200906 204575134 /nfs/dbraw/zinc/57/51/34/204575134.db2.gz CJKRVZKGFUNSHA-LLVKDONJSA-N 0 0 363.420 3.132 50 5 FGBARN COC(=O)[C@H]1CCCN1C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000036396595 205015681 /nfs/dbraw/zinc/01/56/81/205015681.db2.gz ZPSCMQQGRZJDNY-MRXNPFEDSA-N 0 0 369.377 3.116 50 5 FGBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040068737 205052181 /nfs/dbraw/zinc/05/21/81/205052181.db2.gz ZXQRJQQJQPHYDQ-CYBMUJFWSA-N 0 0 371.393 3.269 50 5 FGBARN Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000044653098 205108762 /nfs/dbraw/zinc/10/87/62/205108762.db2.gz VQNWHYOWCFOUKI-JTQLQIEISA-N 0 0 350.806 3.128 50 5 FGBARN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000045797545 205125055 /nfs/dbraw/zinc/12/50/55/205125055.db2.gz XRJHLODSKARNAJ-SNVBAGLBSA-N 0 0 356.350 3.054 50 5 FGBARN CC(=O)c1ccc(Sc2nnnn2Cc2cccs2)c([N+](=O)[O-])c1 ZINC000052720881 205186451 /nfs/dbraw/zinc/18/64/51/205186451.db2.gz KWJULINEHLJEBD-UHFFFAOYSA-N 0 0 361.408 3.045 50 5 FGBARN Cn1ccnc1SCc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000053867357 205196052 /nfs/dbraw/zinc/19/60/52/205196052.db2.gz XMZVENVHIWYZPQ-UHFFFAOYSA-N 0 0 372.406 3.144 50 5 FGBARN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1cccc2cccnc21 ZINC000060825858 205285854 /nfs/dbraw/zinc/28/58/54/205285854.db2.gz DMHFOUWXLKIEJM-UHFFFAOYSA-N 0 0 358.357 3.415 50 5 FGBARN CCN([C@@H](C)c1cccc(OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000045811950 206080196 /nfs/dbraw/zinc/08/01/96/206080196.db2.gz VPOCISDAGUOIDZ-ZDUSSCGKSA-N 0 0 364.423 3.375 50 5 FGBARN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccc2c(c1)OCO2 ZINC000047406665 206080393 /nfs/dbraw/zinc/08/03/93/206080393.db2.gz ZVCGCMNJSVJQBJ-UHFFFAOYSA-N 0 0 368.349 3.006 50 5 FGBARN Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3cccc([N+](=O)[O-])c3)cc12 ZINC000003911809 206165752 /nfs/dbraw/zinc/16/57/52/206165752.db2.gz HXESYGRGAGWVSY-UHFFFAOYSA-N 0 0 365.389 3.026 50 5 FGBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(Cc2ccc(F)cc2)c1=O ZINC000005268941 206192972 /nfs/dbraw/zinc/19/29/72/206192972.db2.gz CHBNHKKXZNPCMR-UHFFFAOYSA-N 0 0 367.336 3.196 50 5 FGBARN COc1cc(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC(F)F ZINC000007122665 206205602 /nfs/dbraw/zinc/20/56/02/206205602.db2.gz YQNZTSHBYFWRHE-UHFFFAOYSA-N 0 0 368.292 3.144 50 5 FGBARN COc1ccccc1-c1noc(COC(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000007163896 206207341 /nfs/dbraw/zinc/20/73/41/206207341.db2.gz LGHMHAXSETYCIC-UHFFFAOYSA-N 0 0 355.306 3.010 50 5 FGBARN C[C@@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(N)=O)c2C1 ZINC000005919970 206199269 /nfs/dbraw/zinc/19/92/69/206199269.db2.gz PBNAVZXVQYEEAI-SECBINFHSA-N 0 0 359.407 3.132 50 5 FGBARN C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006182837 206241862 /nfs/dbraw/zinc/24/18/62/206241862.db2.gz YZWXBCBUNNYUTI-JTQLQIEISA-N 0 0 371.378 3.159 50 5 FGBARN O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012767867 206294728 /nfs/dbraw/zinc/29/47/28/206294728.db2.gz FBUCJIZEDLQZBJ-UHFFFAOYSA-N 0 0 359.769 3.393 50 5 FGBARN O=C(CCNc1ncccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000054125150 206332230 /nfs/dbraw/zinc/33/22/30/206332230.db2.gz MKJSADHQWUZVFP-UHFFFAOYSA-N 0 0 365.187 3.193 50 5 FGBARN Cc1ccc(OCc2cccc(C(=O)NCc3ccco3)c2)c([N+](=O)[O-])n1 ZINC000054913628 206337091 /nfs/dbraw/zinc/33/70/91/206337091.db2.gz YXBPQXVCZRGGJP-UHFFFAOYSA-N 0 0 367.361 3.400 50 5 FGBARN O=C1c2ccccc2C(=O)N1CCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000024850372 206412451 /nfs/dbraw/zinc/41/24/51/206412451.db2.gz POBGBIFYWVYNBH-UHFFFAOYSA-N 0 0 360.753 3.313 50 5 FGBARN Cc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000026780256 206445186 /nfs/dbraw/zinc/44/51/86/206445186.db2.gz XQYRMDPUOKCCTI-KRWDZBQOSA-N 0 0 366.377 3.170 50 5 FGBARN CCCN(CC(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000225649368 206491462 /nfs/dbraw/zinc/49/14/62/206491462.db2.gz VYLVKPNUWDVGOV-SFHVURJKSA-N 0 0 369.421 3.451 50 5 FGBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCO[C@H](c2cccc(O)c2)C1 ZINC000127319334 132249218 /nfs/dbraw/zinc/24/92/18/132249218.db2.gz ZDFRUVCMZFZDRR-SFHVURJKSA-N 0 0 351.362 3.427 50 5 FGBARN O=C1OCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(F)c1 ZINC000001429665 132382078 /nfs/dbraw/zinc/38/20/78/132382078.db2.gz YOOROWKUSKIHJC-HNNXBMFYSA-N 0 0 368.320 3.065 50 5 FGBARN Cc1ncsc1C(=O)NC1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000050954960 136124074 /nfs/dbraw/zinc/12/40/74/136124074.db2.gz BYGMOFUHOKWANJ-UHFFFAOYSA-N 0 0 360.439 3.067 50 5 FGBARN CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000000663386 493767955 /nfs/dbraw/zinc/76/79/55/493767955.db2.gz GGDGZWYSRCCZCN-UHFFFAOYSA-N 0 0 350.396 3.418 50 5 FGBARN COc1ccc2sc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nc2c1 ZINC000000675452 493768817 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O=[N+]([O-])c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000002866406 204065037 /nfs/dbraw/zinc/06/50/37/204065037.db2.gz XFGOYSLEEVYSSD-UHFFFAOYSA-N 0 0 372.855 3.319 50 5 FGBARN CC(C)C(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003114933 204078590 /nfs/dbraw/zinc/07/85/90/204078590.db2.gz BYVXWMQHTXJVAW-NSHDSACASA-N 0 0 354.621 3.475 50 5 FGBARN O=C(COc1ncnc2ccccc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003277609 204087477 /nfs/dbraw/zinc/08/74/77/204087477.db2.gz ROVVAMATWMIDPM-UHFFFAOYSA-N 0 0 358.741 3.209 50 5 FGBARN O=C(NCc1ccccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002761324 204055322 /nfs/dbraw/zinc/05/53/22/204055322.db2.gz QNZXKGFGXYWSAL-UHFFFAOYSA-N 0 0 370.796 3.423 50 5 FGBARN Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NCc2ccccc2)o1 ZINC000002764499 204055632 /nfs/dbraw/zinc/05/56/32/204055632.db2.gz QBXVKNMJFBDHIZ-UHFFFAOYSA-N 0 0 374.784 3.324 50 5 FGBARN O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000003880710 204112804 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CSc1nc(C)c(CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)n1 ZINC000008075117 204316559 /nfs/dbraw/zinc/31/65/59/204316559.db2.gz NTAOZFYCVJNIOU-UHFFFAOYSA-N 0 0 364.402 3.434 50 5 FGBARN CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008323318 204326816 /nfs/dbraw/zinc/32/68/16/204326816.db2.gz MSYQCFBNKIPSPX-AWEZNQCLSA-N 0 0 367.789 3.124 50 5 FGBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)Cc1ccco1 ZINC000008917355 204348801 /nfs/dbraw/zinc/34/88/01/204348801.db2.gz VCRUBCMKFNWZEV-UHFFFAOYSA-N 0 0 356.334 3.389 50 5 FGBARN COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000008970826 204350120 /nfs/dbraw/zinc/35/01/20/204350120.db2.gz PKDHURVHECDYOQ-UHFFFAOYSA-N 0 0 358.379 3.211 50 5 FGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cnc2ccccc2n1 ZINC000008986480 204350928 /nfs/dbraw/zinc/35/09/28/204350928.db2.gz KGIPPBSLXWDVAA-RMKNXTFCSA-N 0 0 350.334 3.199 50 5 FGBARN CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009158328 204356635 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Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1N1CCCC1=O ZINC000012565163 494242723 /nfs/dbraw/zinc/24/27/23/494242723.db2.gz IVVMNGXVTCLOSR-UHFFFAOYSA-N 0 0 368.393 3.081 50 5 FGBARN Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000012625666 494248552 /nfs/dbraw/zinc/24/85/52/494248552.db2.gz CKEUFRVIJVAVFW-UHFFFAOYSA-N 0 0 350.378 3.078 50 5 FGBARN CNc1ccc(C(=O)c2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000012740037 494252965 /nfs/dbraw/zinc/25/29/65/494252965.db2.gz OBVMUYUOZKSWRU-UHFFFAOYSA-N 0 0 353.378 3.104 50 5 FGBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1ccc(OC(F)(F)F)cc1 ZINC000024582767 494644513 /nfs/dbraw/zinc/64/45/13/494644513.db2.gz BLLZMMVJURZDCM-UHFFFAOYSA-N 0 0 366.251 3.290 50 5 FGBARN COC(=O)c1cc([N+](=O)[O-])ccc1NCC(=O)Nc1c(C)cc(C)cc1C ZINC000024773493 494664246 /nfs/dbraw/zinc/66/42/46/494664246.db2.gz PEVZYWSXRQCTJL-UHFFFAOYSA-N 0 0 371.393 3.357 50 5 FGBARN Nc1c(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cccc1[N+](=O)[O-] ZINC000075094552 494687607 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ZINC000020897769 211299478 /nfs/dbraw/zinc/29/94/78/211299478.db2.gz UOABVGSKDJRDPZ-UHFFFAOYSA-N 0 0 356.338 3.371 50 5 FGBARN Cc1nn(Cc2c(C)onc2C(=O)Nc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000017073439 211177527 /nfs/dbraw/zinc/17/75/27/211177527.db2.gz JMYKEAIOSIURPZ-UHFFFAOYSA-N 0 0 355.354 3.005 50 5 FGBARN Cc1cccc(CSCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000014186179 211083561 /nfs/dbraw/zinc/08/35/61/211083561.db2.gz SGJCHQNVQMHJRZ-UHFFFAOYSA-N 0 0 366.464 3.115 50 5 FGBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1nc2ccccc2n1C ZINC000014094227 211073937 /nfs/dbraw/zinc/07/39/37/211073937.db2.gz OXAZQQLMCFDWNR-LBPRGKRZSA-N 0 0 370.434 3.279 50 5 FGBARN COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000014083285 211071894 /nfs/dbraw/zinc/07/18/94/211071894.db2.gz BXGMWWMTGJNCIG-JTQLQIEISA-N 0 0 364.379 3.157 50 5 FGBARN O=[N+]([O-])c1cccc(-c2nn3c(COc4ccccc4)nnc3s2)c1 ZINC000013691260 211050729 /nfs/dbraw/zinc/05/07/29/211050729.db2.gz WWCOKOHPCTXRSN-UHFFFAOYSA-N 0 0 353.363 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FGBARN O=C(Oc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001509549 210357581 /nfs/dbraw/zinc/35/75/81/210357581.db2.gz AEPVWHSYBNURBD-UHFFFAOYSA-N 0 0 369.114 3.419 50 5 FGBARN O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000001140894 210324351 /nfs/dbraw/zinc/32/43/51/210324351.db2.gz VQZHRVXMOHFLDK-UHFFFAOYSA-N 0 0 362.345 3.494 50 5 FGBARN COc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c(OC)c1 ZINC000001091029 210316174 /nfs/dbraw/zinc/31/61/74/210316174.db2.gz ALTFFIGJZCPVOS-OVCLIPMQSA-N 0 0 368.345 3.265 50 5 FGBARN Cc1nn(Cc2cccc(C(=O)N3CCC[C@H](C)C3)c2)c(C)c1[N+](=O)[O-] ZINC000001000890 210300476 /nfs/dbraw/zinc/30/04/76/210300476.db2.gz ISVPUBKPVCCCLW-ZDUSSCGKSA-N 0 0 356.426 3.329 50 5 FGBARN CCCc1nc([N+](=O)[O-])c(S(=O)(=O)c2ccccc2)n1CC(C)C ZINC000000987821 210298585 /nfs/dbraw/zinc/29/85/85/210298585.db2.gz NBDSXQFFUYCQTN-UHFFFAOYSA-N 0 0 351.428 3.233 50 5 FGBARN COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 ZINC000000984309 210296772 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C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044558210 494365846 /nfs/dbraw/zinc/36/58/46/494365846.db2.gz WZESSPGJWQJRKO-KDOFPFPSSA-N 0 0 372.425 3.106 50 5 FGBARN C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000089904768 494396801 /nfs/dbraw/zinc/39/68/01/494396801.db2.gz FMINCKJLOGQBHA-NSHDSACASA-N 0 0 354.815 3.429 50 5 FGBARN COc1ccccc1N1CCN(C(=S)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000017076282 494407526 /nfs/dbraw/zinc/40/75/26/494407526.db2.gz GMEPBIYUUNCZFG-UHFFFAOYSA-N 0 0 372.450 3.122 50 5 FGBARN Cc1cccc(OCCNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000024227774 494614931 /nfs/dbraw/zinc/61/49/31/494614931.db2.gz CFHPSXPKAZPOGY-UHFFFAOYSA-N 0 0 364.785 3.131 50 5 FGBARN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCCc3cc(F)c(F)cc32)c1 ZINC000026345127 494820509 /nfs/dbraw/zinc/82/05/09/494820509.db2.gz SARHKQVYDQCPKI-CQSZACIVSA-N 0 0 364.348 3.066 50 5 FGBARN O=C(c1cnn(-c2ccc(F)cc2F)c1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000130165888 495351185 /nfs/dbraw/zinc/35/11/85/495351185.db2.gz WCULFFOTYFTCNC-UHFFFAOYSA-N 0 0 370.315 3.262 50 5 FGBARN C[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2 ZINC000251710648 526238599 /nfs/dbraw/zinc/23/85/99/526238599.db2.gz ICVKXCVYGLRNOA-MURWCNHISA-N 0 0 371.315 3.094 50 5 FGBARN CCc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000004895654 535901195 /nfs/dbraw/zinc/90/11/95/535901195.db2.gz GTHKYXSUHHMBON-UHFFFAOYSA-N 0 0 355.394 3.246 50 5 FGBARN CCc1cc(N2CCOC[C@H]2C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089282897 536148152 /nfs/dbraw/zinc/14/81/52/536148152.db2.gz HGNHTKHHGNHJDK-KRWDZBQOSA-N 0 0 354.410 3.229 50 5 FGBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000102784871 570838655 /nfs/dbraw/zinc/83/86/55/570838655.db2.gz QSVIAAZNJWCSNY-HOTGVXAUSA-N 0 0 369.421 3.431 50 5 FGBARN Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000047244662 570883344 /nfs/dbraw/zinc/88/33/44/570883344.db2.gz HWRQLFQZOJIUGL-INIZCTEOSA-N 0 0 374.441 3.348 50 5 FGBARN CSc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000009621190 571115604 /nfs/dbraw/zinc/11/56/04/571115604.db2.gz WGDODKVZGGXFIR-UHFFFAOYSA-N 0 0 374.418 3.098 50 5 FGBARN C[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000000687045 219313641 /nfs/dbraw/zinc/31/36/41/219313641.db2.gz OBHKTNMETRQPKN-VIFPVBQESA-N 0 0 359.407 3.132 50 5 in-vitro FGBARN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000000831384 219327981 /nfs/dbraw/zinc/32/79/81/219327981.db2.gz WMHLGYDTZOKMCE-CYBMUJFWSA-N 0 0 374.780 3.345 50 5 FGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1COc2ccccc2O1 ZINC000001057267 219361019 /nfs/dbraw/zinc/36/10/19/219361019.db2.gz WLSPNWZLVWNEDI-CYBMUJFWSA-N 0 0 358.350 3.162 50 5 FGBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C)c(C)c1 ZINC000001059786 219361889 /nfs/dbraw/zinc/36/18/89/219361889.db2.gz YBIPLQNGDAQRAJ-UHFFFAOYSA-N 0 0 367.203 3.118 50 5 FGBARN O=C(NC(=S)Nc1cccc2ncccc21)c1ccccc1[N+](=O)[O-] ZINC000001065391 219362995 /nfs/dbraw/zinc/36/29/95/219362995.db2.gz FSQUTKTZWRIZRF-UHFFFAOYSA-N 0 0 352.375 3.270 50 5 FGBARN O=Cc1cc(Br)ccc1OC(=O)c1ccccc1[N+](=O)[O-] ZINC000001146066 219380600 /nfs/dbraw/zinc/38/06/00/219380600.db2.gz JONHBZZYSFERTP-UHFFFAOYSA-N 0 0 350.124 3.389 50 5 FGBARN COC(=O)[C@@H](C)N(C(=O)c1ccccc1[N+](=O)[O-])c1c(C)cccc1C ZINC000001229651 219390981 /nfs/dbraw/zinc/39/09/81/219390981.db2.gz QOGQSYIBEJACEU-CQSZACIVSA-N 0 0 356.378 3.420 50 5 FGBARN COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)CC2 ZINC000001230784 219391540 /nfs/dbraw/zinc/39/15/40/219391540.db2.gz OIFIJKJQAGAGKY-IBGZPJMESA-N 0 0 356.378 3.106 50 5 FGBARN Cc1cc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)no1 ZINC000001216083 219389719 /nfs/dbraw/zinc/38/97/19/219389719.db2.gz VJOKIJHGGJNQAU-UHFFFAOYSA-N 0 0 365.301 3.484 50 5 FGBARN COc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)cc1 ZINC000001240457 219392199 /nfs/dbraw/zinc/39/21/99/219392199.db2.gz BNMWBRJGVFOWDK-UHFFFAOYSA-N 0 0 361.357 3.370 50 5 biogenic,in-vitro FGBARN CCOC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000002141180 219428509 /nfs/dbraw/zinc/42/85/09/219428509.db2.gz FLRXQGNJLSHYRY-SECBINFHSA-N 0 0 357.577 3.416 50 5 FGBARN COCCn1c2nc3ccccc3nc2c2c1ncn(C1CCCC1)c2=O ZINC000002257162 219434245 /nfs/dbraw/zinc/43/42/45/219434245.db2.gz XGIIWPYHHFDVGJ-UHFFFAOYSA-N 0 0 363.421 3.056 50 5 FGBARN CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000005125895 219652604 /nfs/dbraw/zinc/65/26/04/219652604.db2.gz VPFGFFFNRAAJCI-CXUHLZMHSA-N 0 0 352.306 3.309 50 5 FGBARN C[C@H]1CCN(C(=O)COc2cccnc2[N+](=O)[O-])c2ccccc2S1 ZINC000005970882 219708606 /nfs/dbraw/zinc/70/86/06/219708606.db2.gz AAKIGLIPIQPTRX-LBPRGKRZSA-N 0 0 359.407 3.286 50 5 FGBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C2CC2)s1 ZINC000009503881 219881380 /nfs/dbraw/zinc/88/13/80/219881380.db2.gz IFXYAPXYVZPAQQ-MRVPVSSYSA-N 0 0 350.425 3.443 50 5 FGBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010503794 219904628 /nfs/dbraw/zinc/90/46/28/219904628.db2.gz BBJMISRWIQGSRX-AWEZNQCLSA-N 0 0 350.378 3.491 50 5 FGBARN O=[N+]([O-])c1ccc2c(c1)nc(CSc1nc[nH]n1)n2-c1ccc(F)cc1 ZINC000012530034 220002731 /nfs/dbraw/zinc/00/27/31/220002731.db2.gz ZHEJZZMBDNWWSS-UHFFFAOYSA-N 0 0 370.369 3.483 50 5 FGBARN COC(=O)/C=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000012736204 220022056 /nfs/dbraw/zinc/02/20/56/220022056.db2.gz ZBHCKTMSWFCVPB-VQHVLOKHSA-N 0 0 357.318 3.009 50 5 FGBARN COc1cccc(CN(C)C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000012737866 220022380 /nfs/dbraw/zinc/02/23/80/220022380.db2.gz UJWJQDGORUUCMD-UHFFFAOYSA-N 0 0 369.421 3.476 50 5 FGBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012768791 220027046 /nfs/dbraw/zinc/02/70/46/220027046.db2.gz MIQGMANSYUJMKD-UHFFFAOYSA-N 0 0 351.366 3.444 50 5 FGBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000012792184 220030440 /nfs/dbraw/zinc/03/04/40/220030440.db2.gz RUKOMESUIDJCIH-UHFFFAOYSA-N 0 0 352.799 3.273 50 5 FGBARN O=C(NCCSc1ccc(Br)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000012795320 220031252 /nfs/dbraw/zinc/03/12/52/220031252.db2.gz VVYWZFZJLAUXQE-UHFFFAOYSA-N 0 0 370.228 3.208 50 5 FGBARN Cc1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000012969971 220045962 /nfs/dbraw/zinc/04/59/62/220045962.db2.gz JNRFKVYHURLBJO-UHFFFAOYSA-N 0 0 369.421 3.158 50 5 FGBARN Cc1cccc(C(=O)OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1[N+](=O)[O-] ZINC000013159925 220061169 /nfs/dbraw/zinc/06/11/69/220061169.db2.gz UJXXPGWKOQQYFK-ZDUSSCGKSA-N 0 0 374.368 3.419 50 5 FGBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C1CC1)nn2C ZINC000013961019 220099901 /nfs/dbraw/zinc/09/99/01/220099901.db2.gz YDUUNKKLSHCDIA-UHFFFAOYSA-N 0 0 352.350 3.208 50 5 FGBARN COC(=O)c1cc(C(=O)N(C)Cc2ccc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000015026516 220143120 /nfs/dbraw/zinc/14/31/20/220143120.db2.gz NRDMLPOVXSIYFL-UHFFFAOYSA-N 0 0 356.378 3.270 50 5 FGBARN COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000015538738 220155598 /nfs/dbraw/zinc/15/55/98/220155598.db2.gz BHUDXKJPWIJKNF-MRXNPFEDSA-N 0 0 356.378 3.346 50 5 FGBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000015339176 220152825 /nfs/dbraw/zinc/15/28/25/220152825.db2.gz GYINDGYYVYUGGZ-UHFFFAOYSA-N 0 0 351.406 3.394 50 5 FGBARN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1NC[C@H]1CCCO1 ZINC000015669949 220158974 /nfs/dbraw/zinc/15/89/74/220158974.db2.gz BGLSHSJOVADLMO-CQSZACIVSA-N 0 0 367.365 3.298 50 5 FGBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)ccc1NC[C@H]1CCCO1 ZINC000015669959 220159512 /nfs/dbraw/zinc/15/95/12/220159512.db2.gz GUMPJTGAPOPOGE-CYBMUJFWSA-N 0 0 367.365 3.298 50 5 FGBARN COc1ccc(Nc2nc(-n3nc(C)cc3C)nc(C)c2[N+](=O)[O-])cc1 ZINC000016283376 220181217 /nfs/dbraw/zinc/18/12/17/220181217.db2.gz ILYCZIHRPLRWMF-UHFFFAOYSA-N 0 0 354.370 3.248 50 5 FGBARN NC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 ZINC000016555257 220186993 /nfs/dbraw/zinc/18/69/93/220186993.db2.gz ZGVCKLKVGMPCJG-UHFFFAOYSA-N 0 0 357.313 3.400 50 5 FGBARN CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2=O ZINC000019318762 220249818 /nfs/dbraw/zinc/24/98/18/220249818.db2.gz FEAVHXXNIBLCEV-UHFFFAOYSA-N 0 0 357.454 3.092 50 5 FGBARN Cc1nn(Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000022385437 220385090 /nfs/dbraw/zinc/38/50/90/220385090.db2.gz QYRBGPKUODBDLS-UHFFFAOYSA-N 0 0 368.437 3.375 50 5 FGBARN NC(=O)c1ccc(CNc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000025252088 220478962 /nfs/dbraw/zinc/47/89/62/220478962.db2.gz JRPQUDVFOKJHES-UHFFFAOYSA-N 0 0 350.172 3.068 50 5 FGBARN COCCN1C(=O)c2ccccc2N[C@@H]1/C=C/c1ccccc1[N+](=O)[O-] ZINC000025310177 220480849 /nfs/dbraw/zinc/48/08/49/220480849.db2.gz LZMOHPNRRMOEKS-ZGKFYVQTSA-N 0 0 353.378 3.148 50 5 FGBARN Cc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000040151505 220888834 /nfs/dbraw/zinc/88/88/34/220888834.db2.gz AXHXCCXLPCXQDM-UHFFFAOYSA-N 0 0 352.412 3.404 50 5 FGBARN O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000058016982 221097367 /nfs/dbraw/zinc/09/73/67/221097367.db2.gz DDTKOIUAKTVTQG-HNNXBMFYSA-N 0 0 372.352 3.482 50 5 FGBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000058282387 221112646 /nfs/dbraw/zinc/11/26/46/221112646.db2.gz MYTSJBRVOCNMLA-LLVKDONJSA-N 0 0 369.377 3.439 50 5 FGBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)O[C@H]1c1ccc(C)cc1 ZINC000064819841 221152119 /nfs/dbraw/zinc/15/21/19/221152119.db2.gz DYSOHGLENOJNMW-KRWDZBQOSA-N 0 0 370.321 3.051 50 5 FGBARN Cc1ccc(-c2nn3c(CN4CCCCC4)nnc3s2)cc1[N+](=O)[O-] ZINC000071260523 221336653 /nfs/dbraw/zinc/33/66/53/221336653.db2.gz NDLWSDXBCMAFDI-UHFFFAOYSA-N 0 0 358.427 3.055 50 5 FGBARN Cc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1[N+](=O)[O-] ZINC000071260594 221337124 /nfs/dbraw/zinc/33/71/24/221337124.db2.gz SUYXRDHNBYFKTA-UHFFFAOYSA-N 0 0 372.454 3.445 50 5 FGBARN COC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000793712 132251910 /nfs/dbraw/zinc/25/19/10/132251910.db2.gz BTOLUVLGIULJIK-QGZVFWFLSA-N 0 0 367.361 3.313 50 5 FGBARN O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCCc2ccccc21 ZINC000000887204 132379130 /nfs/dbraw/zinc/37/91/30/132379130.db2.gz XGQIHOBHSNHBGG-UHFFFAOYSA-N 0 0 350.330 3.294 50 5 FGBARN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000003880497 132385890 /nfs/dbraw/zinc/38/58/90/132385890.db2.gz HOJPCJKLKKZBHD-UHFFFAOYSA-N 0 0 362.773 3.483 50 5 FGBARN Cc1ccc(-c2noc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000007499451 132840651 /nfs/dbraw/zinc/84/06/51/132840651.db2.gz PVECWHWFPJXHSL-UHFFFAOYSA-N 0 0 366.377 3.457 50 5 FGBARN CC1(C)CC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)C1 ZINC000008814538 132844017 /nfs/dbraw/zinc/84/40/17/132844017.db2.gz IZWQRHXRUKQRST-MRXNPFEDSA-N 0 0 356.422 3.454 50 5 FGBARN O=[N+]([O-])c1cccnc1N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000058165868 136130640 /nfs/dbraw/zinc/13/06/40/136130640.db2.gz GDFWVXUMDHZVPL-AWEZNQCLSA-N 0 0 364.199 3.330 50 5 FGBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccccn2)CC1 ZINC000012543998 136152086 /nfs/dbraw/zinc/15/20/86/136152086.db2.gz YCTLYYCPUQMSLM-UHFFFAOYSA-N 0 0 366.343 3.331 50 5 FGBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1N1CCOCC1 ZINC000008586960 263356756 /nfs/dbraw/zinc/35/67/56/263356756.db2.gz NBGJAPDSZJOMAH-UHFFFAOYSA-N 0 0 352.350 3.148 50 5 FGBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000027966518 493769649 /nfs/dbraw/zinc/76/96/49/493769649.db2.gz IGZQWTXBUCOXQO-RISCZKNCSA-N 0 0 364.423 3.440 50 5 FGBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000001174570 493788384 /nfs/dbraw/zinc/78/83/84/493788384.db2.gz GANRRQASSITALZ-UHFFFAOYSA-N 0 0 363.370 3.259 50 5 FGBARN CCOc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1[N+](=O)[O-] ZINC000001172438 493788513 /nfs/dbraw/zinc/78/85/13/493788513.db2.gz KRPPSLLPAJLQDY-UHFFFAOYSA-N 0 0 363.370 3.259 50 5 FGBARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 ZINC000001438175 493794526 /nfs/dbraw/zinc/79/45/26/493794526.db2.gz HQKWZBHLOYLPQN-QGZVFWFLSA-N 0 0 366.373 3.216 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Cc1c(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000008137102 494070328 /nfs/dbraw/zinc/07/03/28/494070328.db2.gz GGLDOYCGLRLPQP-UHFFFAOYSA-N 0 0 353.378 3.211 50 5 FGBARN Cc1c(C(=O)OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000008154449 494072515 /nfs/dbraw/zinc/07/25/15/494072515.db2.gz WOHSOBPMJXQCKP-WMLDXEAASA-N 0 0 360.410 3.241 50 5 FGBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000008216220 494076881 /nfs/dbraw/zinc/07/68/81/494076881.db2.gz MPMSPOGKDJSAPD-LLVKDONJSA-N 0 0 359.769 3.240 50 5 FGBARN O=C(NCc1ccco1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000035870190 494082305 /nfs/dbraw/zinc/08/23/05/494082305.db2.gz ULGUIGRDSGKQDH-FUHWJXTLSA-N 0 0 355.394 3.035 50 5 FGBARN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000008338617 494085910 /nfs/dbraw/zinc/08/59/10/494085910.db2.gz BBMURCGEAHDZBQ-JTQLQIEISA-N 0 0 355.383 3.058 50 5 FGBARN Cc1ccc2cc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)[nH]c2c1 ZINC000008684022 494099041 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360.393 3.332 50 5 FGBARN COc1ccccc1[C@H](C)N(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000040080542 494129707 /nfs/dbraw/zinc/12/97/07/494129707.db2.gz SGBGALOMDQLQCO-NSHDSACASA-N 0 0 354.366 3.313 50 5 FGBARN COc1ccccc1-n1nnnc1SCc1cccc([N+](=O)[O-])c1C ZINC000040127198 494135005 /nfs/dbraw/zinc/13/50/05/494135005.db2.gz ZCGVCWILNRQZAU-UHFFFAOYSA-N 0 0 357.395 3.180 50 5 FGBARN C[C@@H]1CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CCO1 ZINC000011496535 494179600 /nfs/dbraw/zinc/17/96/00/494179600.db2.gz JXVPIBLEEVNCRR-SNVBAGLBSA-N 0 0 350.758 3.369 50 5 FGBARN COc1ccc(OCC(=O)Nc2cccc3ncccc32)c([N+](=O)[O-])c1 ZINC000011674649 494186035 /nfs/dbraw/zinc/18/60/35/494186035.db2.gz NJMKGOQFBXNXJE-UHFFFAOYSA-N 0 0 353.334 3.169 50 5 FGBARN Cc1cc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000012552530 494241342 /nfs/dbraw/zinc/24/13/42/494241342.db2.gz SJISFIRPWOAYBR-UHFFFAOYSA-N 0 0 373.453 3.158 50 5 FGBARN Cc1nn(CC(=O)N2C[C@@H](c3ccccc3)C(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000089512581 494318626 /nfs/dbraw/zinc/31/86/26/494318626.db2.gz YIYIZPHIIXZTSB-INIZCTEOSA-N 0 0 356.426 3.060 50 5 FGBARN CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] ZINC000016281464 494382574 /nfs/dbraw/zinc/38/25/74/494382574.db2.gz XGHPPJRVELLZJR-UHFFFAOYSA-N 0 0 369.421 3.264 50 5 FGBARN C[C@@H](Cc1noc(-c2ccc([N+](=O)[O-])cc2)n1)N(C)C(=O)OC(C)(C)C ZINC000079101552 494404019 /nfs/dbraw/zinc/40/40/19/494404019.db2.gz IFFFQHBOIDBSTC-NSHDSACASA-N 0 0 362.386 3.443 50 5 FGBARN Cc1cc(Br)ccc1NC(=O)CNc1ncccc1[N+](=O)[O-] ZINC000023717944 494576804 /nfs/dbraw/zinc/57/68/04/494576804.db2.gz CIWJBTODCNCFMC-UHFFFAOYSA-N 0 0 365.187 3.111 50 5 FGBARN COC(=O)c1ccc(NCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 ZINC000024354545 494621752 /nfs/dbraw/zinc/62/17/52/494621752.db2.gz UDWGWIBSLMHCLO-UHFFFAOYSA-N 0 0 358.350 3.168 50 5 FGBARN Cc1cccc(NC(=O)CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000024861906 494673633 /nfs/dbraw/zinc/67/36/33/494673633.db2.gz RAVCESWAPIBINI-UHFFFAOYSA-N 0 0 355.394 3.231 50 5 FGBARN O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000025696892 494768948 /nfs/dbraw/zinc/76/89/48/494768948.db2.gz MAALILULUGCOCL-UHFFFAOYSA-N 0 0 354.362 3.188 50 5 FGBARN COc1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000095447965 494975603 /nfs/dbraw/zinc/97/56/03/494975603.db2.gz RZCOSHMUJMIJQT-UHFFFAOYSA-N 0 0 360.750 3.197 50 5 FGBARN CCc1ccccc1N1C(=O)C(=Cc2csc([N+](=O)[O-])c2)NC1=S ZINC000102781204 495160865 /nfs/dbraw/zinc/16/08/65/495160865.db2.gz ZPRQNEXSZATNGB-KPKJPENVSA-N 0 0 359.432 3.481 50 5 FGBARN O=C(O[C@@H]1[C@H]2C=C[C@@]13CC[C@H]1C[C@]13C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000257355937 497406515 /nfs/dbraw/zinc/40/65/15/497406515.db2.gz DSXZCJUYVNKFJF-FRBRBFLFSA-N 0 0 356.334 3.405 50 5 FGBARN O=C1c2ccc(Br)cc2O[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1O ZINC000585146148 507578222 /nfs/dbraw/zinc/57/82/22/507578222.db2.gz IUROARYLAHBWBJ-HUUCEWRRSA-N 0 0 364.151 3.035 50 5 FGBARN CCCN(CC)c1ccc(C(=O)OCCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000084755164 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COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)c1 ZINC000009358233 210830137 /nfs/dbraw/zinc/83/01/37/210830137.db2.gz NKNIMTWECQQBIX-UHFFFAOYSA-N 0 0 358.402 3.100 50 5 FGBARN COc1cc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc2c1OCCO2 ZINC000008985693 210811298 /nfs/dbraw/zinc/81/12/98/210811298.db2.gz UIEPXNILPUZXAA-LBPRGKRZSA-N 0 0 372.377 3.208 50 5 FGBARN COc1ccccc1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000004734906 210558338 /nfs/dbraw/zinc/55/83/38/210558338.db2.gz DGCUHZCPCMRUMV-UHFFFAOYSA-N 0 0 353.363 3.437 50 5 FGBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1OC(F)F ZINC000003282399 210462058 /nfs/dbraw/zinc/46/20/58/210462058.db2.gz PFTWIZQPDVDQFJ-UHFFFAOYSA-N 0 0 372.305 3.053 50 5 FGBARN Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002942669 210438177 /nfs/dbraw/zinc/43/81/77/210438177.db2.gz JZNDJZGMMQHTHT-UHFFFAOYSA-N 0 0 370.361 3.048 50 5 FGBARN COC(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000003194552 210454197 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Cc1c(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000023384457 211387447 /nfs/dbraw/zinc/38/74/47/211387447.db2.gz MZSJMFRWJVZRKI-LJQANCHMSA-N 0 0 354.406 3.489 50 5 FGBARN COc1cc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc(OC)c1OC ZINC000020228351 211274060 /nfs/dbraw/zinc/27/40/60/211274060.db2.gz YNMNLENQYQPJNA-UHFFFAOYSA-N 0 0 357.322 3.338 50 5 FGBARN CN1CCc2nc3sc(C(=O)c4ccc([N+](=O)[O-])cc4)c(N)c3cc2C1 ZINC000020289880 211272232 /nfs/dbraw/zinc/27/22/32/211272232.db2.gz XDDHWBDCXLFHOR-UHFFFAOYSA-N 0 0 368.418 3.006 50 5 FGBARN O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1cccnc1 ZINC000017169100 211180991 /nfs/dbraw/zinc/18/09/91/211180991.db2.gz FNGKASITUGWVCF-UHFFFAOYSA-N 0 0 368.315 3.127 50 5 FGBARN Cc1cc(C)n(Cc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)n1 ZINC000017074773 211177118 /nfs/dbraw/zinc/17/71/18/211177118.db2.gz MHEHKJBMLIYTFE-UHFFFAOYSA-N 0 0 363.450 3.366 50 5 FGBARN CNc1c2ccccc2oc(=O)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000016347854 211159460 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C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012517037 210962760 /nfs/dbraw/zinc/96/27/60/210962760.db2.gz SUGMIGIFTQIKDO-CYBMUJFWSA-N 0 0 368.393 3.161 50 5 FGBARN Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000008726740 210799065 /nfs/dbraw/zinc/79/90/65/210799065.db2.gz WHHMZAMAGPPBLX-UHFFFAOYSA-N 0 0 353.378 3.392 50 5 FGBARN Cc1ccc(C)c(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000007197122 210731572 /nfs/dbraw/zinc/73/15/72/210731572.db2.gz YTGDHHMLZIXYJR-UHFFFAOYSA-N 0 0 356.378 3.075 50 5 FGBARN Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccc(Cl)cc1 ZINC000004876016 210574527 /nfs/dbraw/zinc/57/45/27/210574527.db2.gz XUPLQFNXVRPNBG-UHFFFAOYSA-N 0 0 358.579 3.399 50 5 FGBARN Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)O2)cc1[N+](=O)[O-] ZINC000004644392 210547664 /nfs/dbraw/zinc/54/76/64/210547664.db2.gz YAHYYOKKBDZRQS-MDWZMJQESA-N 0 0 353.290 3.156 50 5 FGBARN O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc2c2ccccc21 ZINC000004632184 210546537 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O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCOCC1 ZINC000002622501 132383791 /nfs/dbraw/zinc/38/37/91/132383791.db2.gz DAROIPHKZFJYEV-UHFFFAOYSA-N 0 0 373.434 3.162 50 5 FGBARN C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002744982 132384020 /nfs/dbraw/zinc/38/40/20/132384020.db2.gz IYFWZMSZJNNMPY-NSHDSACASA-N 0 0 350.371 3.264 50 5 FGBARN CCc1ccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000004119165 132386498 /nfs/dbraw/zinc/38/64/98/132386498.db2.gz UXNHFVKPTUYBQY-UHFFFAOYSA-N 0 0 371.437 3.485 50 5 FGBARN O=C(c1cccs1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004688248 132823903 /nfs/dbraw/zinc/82/39/03/132823903.db2.gz OBHDATZPLGMCBD-UHFFFAOYSA-N 0 0 351.815 3.272 50 5 FGBARN COc1ccccc1/C=C/CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004981048 132825667 /nfs/dbraw/zinc/82/56/67/132825667.db2.gz OWLVVPOFSCXYJE-GQCTYLIASA-N 0 0 353.422 3.439 50 5 FGBARN C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000006119648 132831097 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COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC ZINC000002955110 493826842 /nfs/dbraw/zinc/82/68/42/493826842.db2.gz LWMMPSKRDNWFPW-UHFFFAOYSA-N 0 0 357.322 3.338 50 5 FGBARN CCCn1c(C)cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c1C ZINC000003289173 493836289 /nfs/dbraw/zinc/83/62/89/493836289.db2.gz UFFACZXVZUGPKD-UHFFFAOYSA-N 0 0 368.393 3.016 50 5 FGBARN Cc1cc(=O)oc2cc(OCC(=O)OCc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000003320122 493837942 /nfs/dbraw/zinc/83/79/42/493837942.db2.gz KSLQDNLRXVBGAF-UHFFFAOYSA-N 0 0 369.329 3.132 50 5 FGBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)c(C)c1 ZINC000003443201 493845421 /nfs/dbraw/zinc/84/54/21/493845421.db2.gz KWULVTQVRFDBFT-CYBMUJFWSA-N 0 0 372.377 3.404 50 5 FGBARN COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000003442372 493845700 /nfs/dbraw/zinc/84/57/00/493845700.db2.gz QQDBKLFRUUPAET-UHFFFAOYSA-N 0 0 358.350 3.016 50 5 FGBARN CN(Cc1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000003499602 493850056 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CCN(Cc1cccc(F)c1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000024654277 494650137 /nfs/dbraw/zinc/65/01/37/494650137.db2.gz GYHZYAPVYISGCD-UHFFFAOYSA-N 0 0 360.341 3.183 50 5 FGBARN Cc1noc(-c2ccc(C(=O)N(C)Cc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000025255648 494713556 /nfs/dbraw/zinc/71/35/56/494713556.db2.gz IMMBBDABXOZEIS-UHFFFAOYSA-N 0 0 352.350 3.225 50 5 FGBARN CC[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1c(C)nn(C)c1C ZINC000124905621 495362322 /nfs/dbraw/zinc/36/23/22/495362322.db2.gz UWSKEALOENSCBC-INIZCTEOSA-N 0 0 371.441 3.164 50 5 FGBARN O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H](C(F)(F)F)C3)n2)c1 ZINC000040086034 518203166 /nfs/dbraw/zinc/20/31/66/518203166.db2.gz QHIJAFMUKXJBST-LLVKDONJSA-N 0 0 356.304 3.419 50 5 FGBARN COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078578997 524969579 /nfs/dbraw/zinc/96/95/79/524969579.db2.gz QUNLPTCWXVMCDU-CLUXPMKYSA-N 0 0 356.378 3.200 50 5 FGBARN C[C@H](Nc1ccc(C(=O)NC2CCOCC2)cc1[N+](=O)[O-])c1ccccn1 ZINC000084661060 525648013 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FGBARN COc1ccc(CNC(=O)[C@@H](C)Sc2ccsc2[N+](=O)[O-])cc1 ZINC000005035922 493909671 /nfs/dbraw/zinc/90/96/71/493909671.db2.gz LZLXUYBWYIELHL-SNVBAGLBSA-N 0 0 352.437 3.462 50 5 FGBARN C[C@H]1CC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2S1 ZINC000005052490 493910725 /nfs/dbraw/zinc/91/07/25/493910725.db2.gz XYIGDTWESOGURF-LBPRGKRZSA-N 0 0 371.418 3.451 50 5 FGBARN Cc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1[N+](=O)[O-] ZINC000005052685 493910835 /nfs/dbraw/zinc/91/08/35/493910835.db2.gz KDNPYBGHWKUKDF-ZIAGYGMSSA-N 0 0 368.389 3.426 50 5 FGBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000005090858 493913766 /nfs/dbraw/zinc/91/37/66/493913766.db2.gz YDAVGXIOZHPFHV-UHFFFAOYSA-N 0 0 365.798 3.384 50 5 FGBARN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005126972 493914479 /nfs/dbraw/zinc/91/44/79/493914479.db2.gz HOAFFUZMOGWNFP-UHFFFAOYSA-N 0 0 356.787 3.448 50 5 FGBARN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(F)cc1F ZINC000031026917 493918017 /nfs/dbraw/zinc/91/80/17/493918017.db2.gz VMRVERYPOGGUEB-UHFFFAOYSA-N 0 0 350.277 3.220 50 5 FGBARN COC(=O)c1ccc(N2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000005187012 493918097 /nfs/dbraw/zinc/91/80/97/493918097.db2.gz KRNITAREYSSYEE-INIZCTEOSA-N 0 0 358.375 3.160 50 5 FGBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(C)CC3)n2)cc1 ZINC000005249660 493921518 /nfs/dbraw/zinc/92/15/18/493921518.db2.gz JANTUZDAUVVSBD-UHFFFAOYSA-N 0 0 372.429 3.346 50 5 FGBARN CCOC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000005458999 493932260 /nfs/dbraw/zinc/93/22/60/493932260.db2.gz WAHGCSFZHUBZAP-UHFFFAOYSA-N 0 0 369.786 3.063 50 5 FGBARN Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000031236882 493933852 /nfs/dbraw/zinc/93/38/52/493933852.db2.gz JXOOVPPRUHQETI-UHFFFAOYSA-N 0 0 351.362 3.226 50 5 FGBARN CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000005576855 493936094 /nfs/dbraw/zinc/93/60/94/493936094.db2.gz LTGLUDVTRXWVSK-INIZCTEOSA-N 0 0 350.330 3.266 50 5 FGBARN O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005577375 493936659 /nfs/dbraw/zinc/93/66/59/493936659.db2.gz HCKAXXNHVWGRJN-UHFFFAOYSA-N 0 0 356.313 3.355 50 5 FGBARN CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CC1=O ZINC000005952770 493946387 /nfs/dbraw/zinc/94/63/87/493946387.db2.gz CDYCRXIGMKYFJK-MRXNPFEDSA-N 0 0 367.361 3.034 50 5 FGBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCC(=O)Nc1ccc2c(c1)CCC2 ZINC000006012616 493948514 /nfs/dbraw/zinc/94/85/14/493948514.db2.gz YKLISYANYXAMSB-IZZDOVSWSA-N 0 0 366.373 3.279 50 5 FGBARN Cc1cc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000006292333 493957443 /nfs/dbraw/zinc/95/74/43/493957443.db2.gz IHDJSEVVXZYTJO-LLVKDONJSA-N 0 0 353.334 3.058 50 5 FGBARN Cc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 ZINC000006426461 493963294 /nfs/dbraw/zinc/96/32/94/493963294.db2.gz MLOANCDHHUQDER-UHFFFAOYSA-N 0 0 367.361 3.109 50 5 FGBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccc(Cl)cc1F ZINC000006543159 493966764 /nfs/dbraw/zinc/96/67/64/493966764.db2.gz LKMUWDHGJUUOKP-UHFFFAOYSA-N 0 0 353.737 3.447 50 5 FGBARN COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1[N+](=O)[O-] ZINC000006857674 493983407 /nfs/dbraw/zinc/98/34/07/493983407.db2.gz LWUYHGORGFTNIW-OAHLLOKOSA-N 0 0 374.422 3.082 50 5 FGBARN O=C(Cc1ccccc1[N+](=O)[O-])OCc1nc(-c2ccc(F)cc2)no1 ZINC000032671875 494003761 /nfs/dbraw/zinc/00/37/61/494003761.db2.gz YECBKXXYIMGBCC-UHFFFAOYSA-N 0 0 357.297 3.070 50 5 FGBARN CC(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000033086865 494042554 /nfs/dbraw/zinc/04/25/54/494042554.db2.gz UIBKQTVAROAVHJ-CYBMUJFWSA-N 0 0 365.411 3.232 50 5 FGBARN COC(=O)c1cc(C(=O)N2CCc3sccc3[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000007829491 494046272 /nfs/dbraw/zinc/04/62/72/494046272.db2.gz AOKKFYITRUWVIY-JTQLQIEISA-N 0 0 360.391 3.202 50 5 FGBARN Cc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3F)CC2=O)cc1C ZINC000008265277 494079283 /nfs/dbraw/zinc/07/92/83/494079283.db2.gz SWIWIEBPRVZRLE-CYBMUJFWSA-N 0 0 371.368 3.342 50 5 FGBARN Cc1ccc2cc(CCNC(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1C ZINC000008684025 494099649 /nfs/dbraw/zinc/09/96/49/494099649.db2.gz YSGGPAYPTAZJDM-UHFFFAOYSA-N 0 0 365.389 3.026 50 5 FGBARN O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)N1CCc2ccccc21 ZINC000008705097 494100681 /nfs/dbraw/zinc/10/06/81/494100681.db2.gz GGFDGMLVGJTBOS-AATRIKPKSA-N 0 0 352.346 3.064 50 5 FGBARN COC(=O)c1ccc(C2=NC(Oc3ccc([N+](=O)[O-])cc3)=NSC2)cc1 ZINC000071788715 494101318 /nfs/dbraw/zinc/10/13/18/494101318.db2.gz SKHZNGAZSFYYOY-UHFFFAOYSA-N 0 0 371.374 3.267 50 5 FGBARN Cc1ccc2nsnc2c1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008861499 494107194 /nfs/dbraw/zinc/10/71/94/494107194.db2.gz BHAKYNWXZWHBFZ-UHFFFAOYSA-N 0 0 359.323 3.068 50 5 FGBARN O=c1c2cc3c(ccn(C4CCCC4)c3=O)nc2ccn1-c1ccncc1 ZINC000038829310 494117735 /nfs/dbraw/zinc/11/77/35/494117735.db2.gz WJNHHBBFKATMRE-UHFFFAOYSA-N 0 0 358.401 3.211 50 5 FGBARN CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000009235093 494118198 /nfs/dbraw/zinc/11/81/98/494118198.db2.gz TVVXLQQZKNSZFT-CQSZACIVSA-N 0 0 353.378 3.149 50 5 FGBARN CCN(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000009368753 494123200 /nfs/dbraw/zinc/12/32/00/494123200.db2.gz XCDBFNFWISGHLB-UHFFFAOYSA-N 0 0 369.421 3.094 50 5 FGBARN CC[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)Nc1cc(C)on1 ZINC000009449803 494124185 /nfs/dbraw/zinc/12/41/85/494124185.db2.gz WMLZREHJHNZZHG-GFCCVEGCSA-N 0 0 367.745 3.119 50 5 FGBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cncc(Br)c1 ZINC000040082693 494129410 /nfs/dbraw/zinc/12/94/10/494129410.db2.gz AKZHXAAHGVLABN-UHFFFAOYSA-N 0 0 350.172 3.025 50 5 FGBARN CCc1ccc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000072303406 494148483 /nfs/dbraw/zinc/14/84/83/494148483.db2.gz OENPLCLIVRKNMJ-UHFFFAOYSA-N 0 0 353.422 3.049 50 5 FGBARN CCc1cc(NCCCc2n[nH]c(C)n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000072307665 494149618 /nfs/dbraw/zinc/14/96/18/494149618.db2.gz CKAFYYOSDPWYCF-UHFFFAOYSA-N 0 0 367.413 3.085 50 5 FGBARN COc1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012512287 494236573 /nfs/dbraw/zinc/23/65/73/494236573.db2.gz ALRYTJGEYCRSDU-UHFFFAOYSA-N 0 0 355.394 3.459 50 5 FGBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(F)c3)CC2)cc1 ZINC000013522566 494288554 /nfs/dbraw/zinc/28/85/54/494288554.db2.gz YMYPIZORVBBSDA-UHFFFAOYSA-N 0 0 360.414 3.253 50 5 FGBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1-n1cncn1 ZINC000046221499 494505596 /nfs/dbraw/zinc/50/55/96/494505596.db2.gz USWQPPAJACXORF-UHFFFAOYSA-N 0 0 357.757 3.010 50 5 FGBARN O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000022977841 494544448 /nfs/dbraw/zinc/54/44/48/494544448.db2.gz VRNHJUDAKFDRSQ-CYBMUJFWSA-N 0 0 359.405 3.436 50 5 FGBARN CC(=O)Nc1cc(NCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1F ZINC000024362700 494623434 /nfs/dbraw/zinc/62/34/34/494623434.db2.gz DVIJBBQDRXTCQJ-UHFFFAOYSA-N 0 0 360.345 3.051 50 5 FGBARN Cc1nn(C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)c(C)c1[N+](=O)[O-] ZINC000024843791 494671610 /nfs/dbraw/zinc/67/16/10/494671610.db2.gz SJAJTCXTTIHMGJ-MRXNPFEDSA-N 0 0 361.442 3.454 50 5 FGBARN Cc1c2[nH]c3ccccc3c2cc(=O)n1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075260860 494713634 /nfs/dbraw/zinc/71/36/34/494713634.db2.gz HCOGGZIXSXHTAR-UHFFFAOYSA-N 0 0 362.345 3.083 50 5 FGBARN COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000025414763 494736580 /nfs/dbraw/zinc/73/65/80/494736580.db2.gz QAXKVGYXLIKURO-QGZVFWFLSA-N 0 0 355.394 3.379 50 5 FGBARN Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000026117923 494801949 /nfs/dbraw/zinc/80/19/49/494801949.db2.gz ZIUSHNFASWRKRZ-NMFUWQPSSA-N 0 0 362.426 3.389 50 5 FGBARN C[C@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1Cl ZINC000027354103 494864080 /nfs/dbraw/zinc/86/40/80/494864080.db2.gz BHTLAUKUQWNNNC-LBPRGKRZSA-N 0 0 359.813 3.488 50 5 FGBARN CC[C@@](C)(O)CN(Cc1ccccc1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000170603202 495532360 /nfs/dbraw/zinc/53/23/60/495532360.db2.gz CBGKSVLLWPDPAB-LJQANCHMSA-N 0 0 354.410 3.410 50 5 FGBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC000162818192 496417136 /nfs/dbraw/zinc/41/71/36/496417136.db2.gz UJTKYVLFKPWGNE-FXAWDEMLSA-N 0 0 368.437 3.418 50 5 FGBARN C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000010768340 525708662 /nfs/dbraw/zinc/70/86/62/525708662.db2.gz ZXFCLWASXYMBHP-GFCCVEGCSA-N 0 0 368.393 3.382 50 5 FGBARN O=[N+]([O-])c1ccc2c(c1)c(I)nn2[C@H]1CCCCO1 ZINC000526055978 571321380 /nfs/dbraw/zinc/32/13/80/571321380.db2.gz XORWFTHPKICSDK-LLVKDONJSA-N 0 0 373.150 3.248 50 5 FGBARN