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(CCc1cccc([N+](=O)[O-])c1)[N-]OCCOc1ccccc1 ZINC001647915663 1089908441 /nfs/dbraw/zinc/90/84/41/1089908441.db2.gz UDZMWGFLQUQHFW-UHFFFAOYSA-N -1 3 330.340 2.654 10 5 EFBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-])C2 ZINC001648022311 1089931974 /nfs/dbraw/zinc/93/19/74/1089931974.db2.gz UWRKZUUDJDFQPA-UHFFFAOYSA-N -1 3 348.746 2.517 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC001648218319 1089962824 /nfs/dbraw/zinc/96/28/24/1089962824.db2.gz QQZPXKWELMXLTI-UHFFFAOYSA-N -1 3 330.319 2.623 10 5 EFBEHM CC[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001648656452 1092247458 /nfs/dbraw/zinc/24/74/58/1092247458.db2.gz JHAMQVGRNBPMSC-OAHLLOKOSA-N -1 3 344.371 2.599 10 5 EFBEHM COc1ccc(-n2ccc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])n2)cc1 ZINC001650678819 1093481515 /nfs/dbraw/zinc/48/15/15/1093481515.db2.gz OKTOKAYLTUYJPB-UHFFFAOYSA-N -1 3 341.327 2.502 10 5 EFBEHM COC(C)(C)c1nsc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])n1 ZINC001596399194 1094529672 /nfs/dbraw/zinc/52/96/72/1094529672.db2.gz SNAZUHKHTMZZMI-UHFFFAOYSA-N -1 3 336.373 2.889 10 5 EFBEHM Cc1sc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1Br ZINC001617628616 1099248797 /nfs/dbraw/zinc/24/87/97/1099248797.db2.gz LUQUKINFVKFXIA-UHFFFAOYSA-N -1 3 332.135 2.968 10 5 EFBEHM COc1cc(C(=O)NCc2ccc([O-])c(F)c2)c([N+](=O)[O-])cc1F ZINC001622641484 1099531725 /nfs/dbraw/zinc/53/17/25/1099531725.db2.gz YYVJYPLVENTTKV-UHFFFAOYSA-N -1 3 338.266 2.517 10 5 EFBEHM CSc1ccc([O-])c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC001624391721 1099689081 /nfs/dbraw/zinc/68/90/81/1099689081.db2.gz DLNDADCSKPQROJ-UHFFFAOYSA-N -1 3 347.396 2.864 10 5 EFBEHM COc1nccc2cc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)ccc21 ZINC001624542376 1099704113 /nfs/dbraw/zinc/70/41/13/1099704113.db2.gz ZKORMNIXIDHEPS-UHFFFAOYSA-N -1 3 340.295 2.505 10 5 EFBEHM O=C([N-]c1n[nH]c(C(F)(F)F)n1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001626458903 1099878415 /nfs/dbraw/zinc/87/84/15/1099878415.db2.gz YOAKBOQPYZQTFO-UHFFFAOYSA-N -1 3 335.629 2.637 10 5 EFBEHM CNc1nccc(C(=O)[N-]c2ccc(O)cc2SC)c1[N+](=O)[O-] ZINC001626900828 1099933205 /nfs/dbraw/zinc/93/32/05/1099933205.db2.gz HPGQFOMMDNJHSM-UHFFFAOYSA-N -1 3 334.357 2.711 10 5 EFBEHM CCOc1cc(C(=O)[N-]c2cc(CC)on2)c([N+](=O)[O-])cc1OC ZINC001628106971 1100062649 /nfs/dbraw/zinc/06/26/49/1100062649.db2.gz UIFBOELRRWVPFU-UHFFFAOYSA-N -1 3 335.316 2.805 10 5 EFBEHM CCC(CC)Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001628673692 1100122514 /nfs/dbraw/zinc/12/25/14/1100122514.db2.gz ORERFOTUUBYRRT-UHFFFAOYSA-N -1 3 344.371 2.970 10 5 EFBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCc1ccc([O-])c(F)c1 ZINC001630269059 1100288992 /nfs/dbraw/zinc/28/89/92/1100288992.db2.gz KQFIKADVLBSWKM-UHFFFAOYSA-N -1 3 336.294 2.828 10 5 EFBEHM CCOc1cc(Cl)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001631472218 1100401503 /nfs/dbraw/zinc/40/15/03/1100401503.db2.gz HWCUPHXXCMVSKT-UHFFFAOYSA-N -1 3 337.719 3.000 10 5 EFBEHM CCc1cccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC001632080389 1100452178 /nfs/dbraw/zinc/45/21/78/1100452178.db2.gz FEVQDQXZYFWDRZ-SFHVURJKSA-N -1 3 344.367 2.500 10 5 EFBEHM CCc1nc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n[nH]1 ZINC001632355085 1100468091 /nfs/dbraw/zinc/46/80/91/1100468091.db2.gz KWHKPIZEDMQOIB-UHFFFAOYSA-N -1 3 338.327 2.590 10 5 EFBEHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc1[O-] ZINC001633834616 1100568375 /nfs/dbraw/zinc/56/83/75/1100568375.db2.gz CJXJPWOGZBROCF-SNVBAGLBSA-N -1 3 328.324 2.994 10 5 EFBEHM Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001636085661 1100700331 /nfs/dbraw/zinc/70/03/31/1100700331.db2.gz KHUJRWJDJCEEJX-ZETCQYMHSA-N -1 3 343.265 2.531 10 5 EFBEHM CC(=O)c1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1[O-] ZINC001636953806 1100746838 /nfs/dbraw/zinc/74/68/38/1100746838.db2.gz ZENRAJPNKKHGOA-UHFFFAOYSA-N -1 3 344.323 2.911 10 5 EFBEHM Nc1ccc([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC001638381644 1100854303 /nfs/dbraw/zinc/85/43/03/1100854303.db2.gz NUQLOWLGSQAMJQ-UHFFFAOYSA-N -1 3 343.274 2.618 10 5 EFBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC001639610311 1100966341 /nfs/dbraw/zinc/96/63/41/1100966341.db2.gz JFYSXGFVLGASLA-UHFFFAOYSA-N -1 3 348.334 2.511 10 5 EFBEHM C[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001639722510 1100977701 /nfs/dbraw/zinc/97/77/01/1100977701.db2.gz FOMXEHVNFRRYAE-SNVBAGLBSA-N -1 3 341.327 2.961 10 5 EFBEHM O=c1[n-]ccc(NCCc2cc(C(F)(F)F)ccn2)c1[N+](=O)[O-] ZINC001639976481 1100999095 /nfs/dbraw/zinc/99/90/95/1100999095.db2.gz PHLPEQIJXFIHBK-UHFFFAOYSA-N -1 3 328.250 2.764 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccc([N+](=O)[O-])c(C)c3)CC2)n1 ZINC001640468372 1101049843 /nfs/dbraw/zinc/04/98/43/1101049843.db2.gz ANOIIWZSEPKEJQ-UHFFFAOYSA-N -1 3 343.387 2.788 10 5 EFBEHM Cn1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1-c1cccs1 ZINC001642012430 1101181744 /nfs/dbraw/zinc/18/17/44/1101181744.db2.gz GDBVWFVATQNSEI-UHFFFAOYSA-N -1 3 335.370 2.704 10 5 EFBEHM CN(Cc1cnn(Cc2ccccc2)c1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001642006288 1101182408 /nfs/dbraw/zinc/18/24/08/1101182408.db2.gz UALKSLHCNPVVPF-UHFFFAOYSA-N -1 3 339.355 2.577 10 5 EFBEHM O=c1[n-]ccc(NCCNc2ccc3ccccc3n2)c1[N+](=O)[O-] ZINC001642175869 1101195736 /nfs/dbraw/zinc/19/57/36/1101195736.db2.gz RGMJKFHLPFHAQP-UHFFFAOYSA-N -1 3 325.328 2.768 10 5 EFBEHM Cc1cc(NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)c([N+](=O)[O-])s1 ZINC001651460493 1101332339 /nfs/dbraw/zinc/33/23/39/1101332339.db2.gz OLFNWZIZXKPKDN-UHFFFAOYSA-N -1 3 349.416 2.850 10 5 EFBEHM O=c1[n-]ccc(NCCOc2ncccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001651659837 1101362893 /nfs/dbraw/zinc/36/28/93/1101362893.db2.gz SHWKAXMVSFPRLR-UHFFFAOYSA-N -1 3 344.249 2.600 10 5 EFBEHM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000356261023 299244321 /nfs/dbraw/zinc/24/43/21/299244321.db2.gz VNXXXPKOFLPCSE-YVEFUNNKSA-N -1 3 343.383 2.722 10 5 EFBEHM Cc1cccc(NC(=O)c2n[n-]c([N+](=O)[O-])c2Br)c1 ZINC000020408290 202041290 /nfs/dbraw/zinc/04/12/90/202041290.db2.gz IBXQOJGGSQZXLT-UHFFFAOYSA-N -1 3 325.122 2.641 10 5 EFBEHM Cc1cccc(NC(=O)c2[n-]nc([N+](=O)[O-])c2Br)c1 ZINC000020408290 202041292 /nfs/dbraw/zinc/04/12/92/202041292.db2.gz IBXQOJGGSQZXLT-UHFFFAOYSA-N -1 3 325.122 2.641 10 5 EFBEHM CN(C)CCN1C(=O)c2c([O-])ccc3cc4ccccc4c(c32)C1=O ZINC000027558155 202158055 /nfs/dbraw/zinc/15/80/55/202158055.db2.gz FWVFINSGMNAREF-UHFFFAOYSA-N -1 3 334.375 2.856 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412002385 243066225 /nfs/dbraw/zinc/06/62/25/243066225.db2.gz KUZVZUWNGUKGGH-UHFFFAOYSA-N -1 3 332.400 2.577 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)CC1 ZINC000442781465 250117557 /nfs/dbraw/zinc/11/75/57/250117557.db2.gz IXUWDVACZVGFIW-NEPJUHHUSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)CC1 ZINC000442781471 250117575 /nfs/dbraw/zinc/11/75/75/250117575.db2.gz IXUWDVACZVGFIW-VXGBXAGGSA-N -1 3 342.417 2.851 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cn1 ZINC000344765354 142075018 /nfs/dbraw/zinc/07/50/18/142075018.db2.gz AAMOPPQYUPOWMC-SSDOTTSWSA-N -1 3 347.805 2.744 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)c(Cl)c1 ZINC000344887264 142092739 /nfs/dbraw/zinc/09/27/39/142092739.db2.gz QPQSGGOFVTWACQ-UHFFFAOYSA-N -1 3 336.772 2.809 10 5 EFBEHM Cc1ccc([C@@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000346293750 142184725 /nfs/dbraw/zinc/18/47/25/142184725.db2.gz YECVJRWLYYIMMH-QGZVFWFLSA-N -1 3 343.383 2.642 10 5 EFBEHM CCCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000343891648 145318520 /nfs/dbraw/zinc/31/85/20/145318520.db2.gz ZSAOSNJOTHHWGM-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345644566 145586017 /nfs/dbraw/zinc/58/60/17/145586017.db2.gz PUWYQJHIJFIURE-NSHDSACASA-N -1 3 340.323 2.768 10 5 EFBEHM CSc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1[N+](=O)[O-] ZINC000352994733 146369956 /nfs/dbraw/zinc/36/99/56/146369956.db2.gz UQTZMXWUBVNBKF-LLVKDONJSA-N -1 3 348.384 2.566 10 5 EFBEHM CCOc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000357365507 147505588 /nfs/dbraw/zinc/50/55/88/147505588.db2.gz RKRRDVYHIOKPJP-UHFFFAOYSA-N -1 3 342.398 2.534 10 5 EFBEHM COc1cc(CNc2cccc3c2OCC[C@H]3O)c([N+](=O)[O-])cc1[O-] ZINC000373318528 151152284 /nfs/dbraw/zinc/15/22/84/151152284.db2.gz NFNWTGVRDRJWND-CQSZACIVSA-N -1 3 346.339 2.737 10 5 EFBEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269487684 273081653 /nfs/dbraw/zinc/08/16/53/273081653.db2.gz RADKXKFAFXOFMU-HTQZYQBOSA-N -1 3 338.307 2.548 10 5 EFBEHM CN(CCCNC(=O)c1cccc([O-])c1[N+](=O)[O-])Cc1ccccc1 ZINC000280713050 273358537 /nfs/dbraw/zinc/35/85/37/273358537.db2.gz GSJMQVGEHNIUSU-UHFFFAOYSA-N -1 3 343.383 2.552 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)cc1C ZINC000058506987 292668464 /nfs/dbraw/zinc/66/84/64/292668464.db2.gz FGPSWUVDEXBUPP-CYBMUJFWSA-N -1 3 348.380 2.624 10 5 EFBEHM O=C([N-]c1ncc(Cc2ccc(F)cc2)s1)c1n[nH]cc1[N+](=O)[O-] ZINC000128173407 293094198 /nfs/dbraw/zinc/09/41/98/293094198.db2.gz MBLHHDFKENXHCB-UHFFFAOYSA-N -1 3 347.331 2.757 10 5 EFBEHM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303824239 311210331 /nfs/dbraw/zinc/21/03/31/311210331.db2.gz KNRGKBOVJIDTSH-NEPJUHHUSA-N -1 3 342.417 2.851 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000469111530 313119461 /nfs/dbraw/zinc/11/94/61/313119461.db2.gz YAMMVQZFWVOLMF-JTQLQIEISA-N -1 3 340.323 2.831 10 5 EFBEHM Cc1ccc([C@@H](C)NC(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000471976239 313178633 /nfs/dbraw/zinc/17/86/33/313178633.db2.gz HVXKTAAREXDSBX-LLVKDONJSA-N -1 3 330.344 2.564 10 5 EFBEHM Cc1ccc([C@H](C)NC(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000471976240 313178657 /nfs/dbraw/zinc/17/86/57/313178657.db2.gz HVXKTAAREXDSBX-NSHDSACASA-N -1 3 330.344 2.564 10 5 EFBEHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000525952470 316261849 /nfs/dbraw/zinc/26/18/49/316261849.db2.gz RUDJKPZABPYEON-UHFFFAOYSA-N -1 3 343.217 2.846 10 5 EFBEHM COc1ccc(-c2csc([N-]C(=O)c3c[nH]nc3[N+](=O)[O-])n2)cc1 ZINC000548927472 318157520 /nfs/dbraw/zinc/15/75/20/318157520.db2.gz HWOJQTXFWFRQKP-UHFFFAOYSA-N -1 3 345.340 2.702 10 5 EFBEHM O=C([N-]c1cc(F)cc(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000554072608 318300169 /nfs/dbraw/zinc/30/01/69/318300169.db2.gz UWYJAOIBKFBDLM-UHFFFAOYSA-N -1 3 340.213 2.993 10 5 EFBEHM CCc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000565774621 319001714 /nfs/dbraw/zinc/00/17/14/319001714.db2.gz IBNRRLUDOSEINK-UHFFFAOYSA-N -1 3 340.323 2.776 10 5 EFBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577691037 320133357 /nfs/dbraw/zinc/13/33/57/320133357.db2.gz ZLPGUIKRHYXABR-VIFPVBQESA-N -1 3 346.343 2.545 10 5 EFBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577691037 320133359 /nfs/dbraw/zinc/13/33/59/320133359.db2.gz ZLPGUIKRHYXABR-VIFPVBQESA-N -1 3 346.343 2.545 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000067877181 472103336 /nfs/dbraw/zinc/10/33/36/472103336.db2.gz BDDUMXBPMYPONJ-TZMCWYRMSA-N -1 3 336.344 2.568 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000067877179 472103349 /nfs/dbraw/zinc/10/33/49/472103349.db2.gz BDDUMXBPMYPONJ-GXTWGEPZSA-N -1 3 336.344 2.568 10 5 EFBEHM Cc1nonc1[N-]C(=O)c1cc(Br)cc([N+](=O)[O-])c1C ZINC000097147791 472466294 /nfs/dbraw/zinc/46/62/94/472466294.db2.gz MADANTPJNOACAK-UHFFFAOYSA-N -1 3 341.121 2.609 10 5 EFBEHM O=C([N-]c1ccc(F)cc1[N+](=O)[O-])c1ccc(Cn2cccn2)o1 ZINC000072274408 472645418 /nfs/dbraw/zinc/64/54/18/472645418.db2.gz HPQJVRDCPBIPTE-UHFFFAOYSA-N -1 3 330.275 2.824 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000159919488 473072994 /nfs/dbraw/zinc/07/29/94/473072994.db2.gz DSXXUSMJQCEVHQ-SNVBAGLBSA-N -1 3 341.414 2.789 10 5 EFBEHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC000095083318 473188758 /nfs/dbraw/zinc/18/87/58/473188758.db2.gz XYYKRTQFXWKKAT-LLVKDONJSA-N -1 3 348.359 2.859 10 5 EFBEHM CC(C)(C)OC(=O)N1CC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC000095083318 473188765 /nfs/dbraw/zinc/18/87/65/473188765.db2.gz XYYKRTQFXWKKAT-LLVKDONJSA-N -1 3 348.359 2.859 10 5 EFBEHM CCC(CC)(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000173390040 473823904 /nfs/dbraw/zinc/82/39/04/473823904.db2.gz YZWSPVPCWYNZPD-UHFFFAOYSA-N -1 3 330.406 2.851 10 5 EFBEHM CC(C)c1[nH]nc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000269582942 473839323 /nfs/dbraw/zinc/83/93/23/473839323.db2.gz LFBBBZZAZJVEQJ-UHFFFAOYSA-N -1 3 349.372 2.669 10 5 EFBEHM CC(C)(C)C1=CCN(CCNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000354880952 475487625 /nfs/dbraw/zinc/48/76/25/475487625.db2.gz IZYVZCQIUOVJMQ-UHFFFAOYSA-N -1 3 347.415 2.708 10 5 EFBEHM CCc1nc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2C)c(C)o1 ZINC000355446244 475945404 /nfs/dbraw/zinc/94/54/04/475945404.db2.gz XNNJYCLFCWZNPE-UHFFFAOYSA-N -1 3 347.327 2.801 10 5 EFBEHM CSc1cccc(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000362873331 476455817 /nfs/dbraw/zinc/45/58/17/476455817.db2.gz HCZVOQIZHSCQLE-UHFFFAOYSA-N -1 3 335.389 2.916 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000352212694 476556557 /nfs/dbraw/zinc/55/65/57/476556557.db2.gz RGXACKLFZAHTIJ-UHFFFAOYSA-N -1 3 341.245 2.644 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000352327586 476639498 /nfs/dbraw/zinc/63/94/98/476639498.db2.gz BDWRYBNDPNVPKP-UHFFFAOYSA-N -1 3 338.307 2.524 10 5 EFBEHM CC1(C2([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000452000280 476768013 /nfs/dbraw/zinc/76/80/13/476768013.db2.gz YKAGJBHTFJJUBN-UHFFFAOYSA-N -1 3 330.793 2.859 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c(Cl)c1 ZINC000452048619 476793180 /nfs/dbraw/zinc/79/31/80/476793180.db2.gz QFBOQDOXXBUTFJ-ONGXEEELSA-N -1 3 330.793 2.573 10 5 EFBEHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000426681742 477737421 /nfs/dbraw/zinc/73/74/21/477737421.db2.gz CBMTUKJIOROWEX-INIZCTEOSA-N -1 3 330.340 2.827 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1C ZINC000451031860 477796883 /nfs/dbraw/zinc/79/68/83/477796883.db2.gz NWORJFACXCLBDP-UHFFFAOYSA-N -1 3 340.323 2.831 10 5 EFBEHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000451034635 477797947 /nfs/dbraw/zinc/79/79/47/477797947.db2.gz YAANTNFHJDAILG-UHFFFAOYSA-N -1 3 340.323 2.776 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c(F)c1 ZINC000451083170 477814783 /nfs/dbraw/zinc/81/47/83/477814783.db2.gz HSMNGIFXGMWOQP-UHFFFAOYSA-N -1 3 328.365 2.735 10 5 EFBEHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000451326112 477955381 /nfs/dbraw/zinc/95/53/81/477955381.db2.gz BSGFGYZMHDZQTH-CQSZACIVSA-N -1 3 344.371 2.508 10 5 EFBEHM CSc1ccc([O-])c(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000597480608 478371934 /nfs/dbraw/zinc/37/19/34/478371934.db2.gz ZHZRLZWZLDOPKR-UHFFFAOYSA-N -1 3 345.380 2.616 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCCCO1 ZINC000594487166 478407540 /nfs/dbraw/zinc/40/75/40/478407540.db2.gz LECLAMMZMQAOEV-JQWIXIFHSA-N -1 3 348.446 2.591 10 5 EFBEHM CC(C)(C)c1ccc([N-]C(=O)c2nnn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000597631750 478440938 /nfs/dbraw/zinc/44/09/38/478440938.db2.gz NYDLEIHLFCVTKI-UHFFFAOYSA-N -1 3 346.391 2.886 10 5 EFBEHM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cncc2c1CCCC2 ZINC000594726005 478516480 /nfs/dbraw/zinc/51/64/80/478516480.db2.gz KGWOKBJZHDUGNG-UHFFFAOYSA-N -1 3 347.396 2.811 10 5 EFBEHM Cc1cc(NC[C@@H](CC(=O)[O-])C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000594736794 478522498 /nfs/dbraw/zinc/52/24/98/478522498.db2.gz VJIOIARFMVXPIU-GFCCVEGCSA-N -1 3 329.356 2.786 10 5 EFBEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756842 478533124 /nfs/dbraw/zinc/53/31/24/478533124.db2.gz BTFNRBZWIUHKFC-NSHDSACASA-N -1 3 337.401 2.713 10 5 EFBEHM CC(C)CCc1nnc([N-]C(=O)c2c(N)cccc2[N+](=O)[O-])s1 ZINC000597873851 478555229 /nfs/dbraw/zinc/55/52/29/478555229.db2.gz XFEUKVJKVVDVHM-UHFFFAOYSA-N -1 3 335.389 2.869 10 5 EFBEHM Cn1c([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)nnc1C1CC1 ZINC000597897111 478562610 /nfs/dbraw/zinc/56/26/10/478562610.db2.gz JUSMIXVFUQAXNI-UHFFFAOYSA-N -1 3 327.300 2.599 10 5 EFBEHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1ccc([O-])c(F)c1 ZINC000601119787 478666836 /nfs/dbraw/zinc/66/68/36/478666836.db2.gz CFFJXBIVHOTSFN-UHFFFAOYSA-N -1 3 334.229 2.804 10 5 EFBEHM O=c1[n-]ccc(N2CCC(Oc3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000601217082 478729310 /nfs/dbraw/zinc/72/93/10/478729310.db2.gz WJHVBGYXABDWEN-UHFFFAOYSA-N -1 3 333.319 2.882 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)cc1C ZINC000595350283 478742975 /nfs/dbraw/zinc/74/29/75/478742975.db2.gz GUZQQDCDLMOWHK-LBPRGKRZSA-N -1 3 348.371 2.781 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000595350616 478743055 /nfs/dbraw/zinc/74/30/55/478743055.db2.gz GDWPRARDSKBNQB-JTQLQIEISA-N -1 3 348.371 2.781 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)cc1C ZINC000592067806 478762021 /nfs/dbraw/zinc/76/20/21/478762021.db2.gz RVYSYJRTUFDCMY-QMMMGPOBSA-N -1 3 336.360 2.781 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592067868 478762420 /nfs/dbraw/zinc/76/24/20/478762420.db2.gz XOMDUCWYSVWOKE-ZCFIWIBFSA-N -1 3 328.362 2.534 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Cl)c3cccnc23)n1 ZINC000543718219 478771816 /nfs/dbraw/zinc/77/18/16/478771816.db2.gz SPIOGJWQZLYGKY-UHFFFAOYSA-N -1 3 331.719 2.782 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000601312255 478781774 /nfs/dbraw/zinc/78/17/74/478781774.db2.gz FSQWYRVIEZJQAV-LLVKDONJSA-N -1 3 338.410 2.583 10 5 EFBEHM Cc1ccc([N-]S(=O)(=O)CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000592382427 478874688 /nfs/dbraw/zinc/87/46/88/478874688.db2.gz MYYOXINMOOYQJP-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM C[C@@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000515301295 479143323 /nfs/dbraw/zinc/14/33/23/479143323.db2.gz FGVJWRCQYNKIPP-KOLCDFICSA-N -1 3 341.795 2.509 10 5 EFBEHM Cn1cc([C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814707 479151371 /nfs/dbraw/zinc/15/13/71/479151371.db2.gz ULQDSKCPVCBNQE-OAHLLOKOSA-N -1 3 330.388 2.660 10 5 EFBEHM COc1cccc(N2CCC[C@@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596131540 479157060 /nfs/dbraw/zinc/15/70/60/479157060.db2.gz ORPVOIRXKTYCPL-GFCCVEGCSA-N -1 3 344.371 2.785 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)c1C ZINC000610800440 479192526 /nfs/dbraw/zinc/19/25/26/479192526.db2.gz WYMSUGNLYDFZLB-GFCCVEGCSA-N -1 3 349.412 2.689 10 5 EFBEHM O=c1[n-]ccc(NCCN2CCc3c(Cl)cccc3C2)c1[N+](=O)[O-] ZINC000596202478 479195789 /nfs/dbraw/zinc/19/57/89/479195789.db2.gz FTNAWTPZTWEBNN-UHFFFAOYSA-N -1 3 348.790 2.819 10 5 EFBEHM C[C@@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000596202359 479196128 /nfs/dbraw/zinc/19/61/28/479196128.db2.gz UEYQNYSHKQQWDC-SECBINFHSA-N -1 3 348.325 2.770 10 5 EFBEHM O=c1[n-]ccc(N2CCCN(c3ccccc3F)CC2)c1[N+](=O)[O-] ZINC000596229971 479212753 /nfs/dbraw/zinc/21/27/53/479212753.db2.gz UNCSAROYYJVVPA-UHFFFAOYSA-N -1 3 332.335 2.551 10 5 EFBEHM CC(C)(C)OC(=O)C1(C)CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596291895 479242093 /nfs/dbraw/zinc/24/20/93/479242093.db2.gz LXYWDLLFRSAHPY-UHFFFAOYSA-N -1 3 337.376 2.644 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000599459313 479305558 /nfs/dbraw/zinc/30/55/58/479305558.db2.gz GYKISZSPMVYDBQ-NWDGAFQWSA-N -1 3 338.410 2.799 10 5 EFBEHM O=C([O-])[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000596656435 479375375 /nfs/dbraw/zinc/37/53/75/479375375.db2.gz CDVRAINKFKUZPZ-GFCCVEGCSA-N -1 3 344.314 2.787 10 5 EFBEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593590791 479395443 /nfs/dbraw/zinc/39/54/43/479395443.db2.gz OAKPYPDZJMOJEU-JOCQHMNTSA-N -1 3 347.396 2.523 10 5 EFBEHM O=C([O-])CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000593746906 479444983 /nfs/dbraw/zinc/44/49/83/479444983.db2.gz WNKSNMXVNOPFDB-UHFFFAOYSA-N -1 3 332.360 2.690 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN2c3ccccc3C[C@H]2C1 ZINC000589518775 479536875 /nfs/dbraw/zinc/53/68/75/479536875.db2.gz DVYMSHLRAODWAP-INIZCTEOSA-N -1 3 339.395 2.937 10 5 EFBEHM CC1(C)Cc2ccccc2N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000590431713 479646499 /nfs/dbraw/zinc/64/64/99/479646499.db2.gz QPUVXLZBJHIZFU-UHFFFAOYSA-N -1 3 327.340 2.925 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)cc1C ZINC000610518537 480327813 /nfs/dbraw/zinc/32/78/13/480327813.db2.gz ZIOQAQQNPAQMGH-ZDUSSCGKSA-N -1 3 349.412 2.689 10 5 EFBEHM CSC[C@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183670631 533782539 /nfs/dbraw/zinc/78/25/39/533782539.db2.gz BHFOWYNTWRBTBZ-QMMMGPOBSA-N -1 3 338.838 2.586 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[n-]1 ZINC000119372715 527419799 /nfs/dbraw/zinc/41/97/99/527419799.db2.gz RLFNVNPHABMFRH-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[n-]n1 ZINC000119372715 527419806 /nfs/dbraw/zinc/41/98/06/527419806.db2.gz RLFNVNPHABMFRH-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM CCc1[nH]nc(C(=O)[N-]c2ncc(-c3cccnc3)s2)c1[N+](=O)[O-] ZINC000359365415 536008391 /nfs/dbraw/zinc/00/83/91/536008391.db2.gz UZDRYLYHRIFFKH-UHFFFAOYSA-N -1 3 344.356 2.651 10 5 EFBEHM COc1cc(C(=O)OCc2csc([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC000754272044 575413878 /nfs/dbraw/zinc/41/38/78/575413878.db2.gz MXCCPVYHULAGKM-UHFFFAOYSA-N -1 3 339.325 2.736 10 5 EFBEHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000768843828 577308537 /nfs/dbraw/zinc/30/85/37/577308537.db2.gz NZJJTZDTGVDUKM-SECBINFHSA-N -1 3 344.414 2.857 10 5 EFBEHM O=C([O-])c1ccc(NCC2CN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000716238661 1267392157 /nfs/dbraw/zinc/39/21/57/1267392157.db2.gz HGOVHRVKHWCRFT-UHFFFAOYSA-N -1 3 341.367 2.837 10 5 EFBEHM COc1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)s1 ZINC001169860351 1273211251 /nfs/dbraw/zinc/21/12/51/1273211251.db2.gz VYVMBWJAVHCZLS-UHFFFAOYSA-N -1 3 328.737 2.669 10 5 EFBEHM C[C@@]1(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000845974969 1279952316 /nfs/dbraw/zinc/95/23/16/1279952316.db2.gz NRLZDRGGWVIZOA-NXEZZACHSA-N -1 3 342.801 2.639 10 5 EFBEHM Cc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnc1C(F)(F)F ZINC001149148762 1280161462 /nfs/dbraw/zinc/16/14/62/1280161462.db2.gz MJOVAZDIXJWQJP-UHFFFAOYSA-N -1 3 342.233 2.670 10 5 EFBEHM COCCSc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1conc1C ZINC001130575076 1281023385 /nfs/dbraw/zinc/02/33/85/1281023385.db2.gz HLDXDPTWMKEQGQ-UHFFFAOYSA-N -1 3 337.357 2.882 10 5 EFBEHM CCNc1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1[N+](=O)[O-] ZINC001133907324 1286091588 /nfs/dbraw/zinc/09/15/88/1286091588.db2.gz UPUDHLONYDJOKN-UHFFFAOYSA-N -1 3 342.315 2.657 10 5 EFBEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc2)n1 ZINC000822768621 1289113412 /nfs/dbraw/zinc/11/34/12/1289113412.db2.gz WTOUEGSHFYFYKG-UHFFFAOYSA-N -1 3 344.371 2.519 10 5 EFBEHM O=C(Nc1cccc(-c2ccon2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001178761181 1288895844 /nfs/dbraw/zinc/89/58/44/1288895844.db2.gz NSXWLHDXQHLLQE-UHFFFAOYSA-N -1 3 326.268 2.603 10 5 EFBEHM COc1cc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001186904991 1291047023 /nfs/dbraw/zinc/04/70/23/1291047023.db2.gz AECTYWSGCOASER-MRVPVSSYSA-N -1 3 338.751 2.679 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)C(C)(F)F ZINC000867788316 1303956949 /nfs/dbraw/zinc/95/69/49/1303956949.db2.gz ZDUYDCNPSVBKII-UHFFFAOYSA-N -1 3 336.360 2.863 10 5 EFBEHM C[C@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000800263571 1307636859 /nfs/dbraw/zinc/63/68/59/1307636859.db2.gz LWAZRJKLERIMDW-QMMMGPOBSA-N -1 3 330.275 2.923 10 5 EFBEHM C[C@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC000800263571 1307636866 /nfs/dbraw/zinc/63/68/66/1307636866.db2.gz LWAZRJKLERIMDW-QMMMGPOBSA-N -1 3 330.275 2.923 10 5 EFBEHM C[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1cccc([N+](=O)[O-])c1 ZINC000800263571 1307636870 /nfs/dbraw/zinc/63/68/70/1307636870.db2.gz LWAZRJKLERIMDW-QMMMGPOBSA-N -1 3 330.275 2.923 10 5 EFBEHM O=C([O-])CC1(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000901477973 1310546005 /nfs/dbraw/zinc/54/60/05/1310546005.db2.gz RBADRAGNESWQFK-UHFFFAOYSA-N -1 3 335.179 2.516 10 5 EFBEHM COc1cccc([O-])c1C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001163354275 1312294982 /nfs/dbraw/zinc/29/49/82/1312294982.db2.gz BWVZJIZVIVVXKS-UHFFFAOYSA-N -1 3 338.266 2.517 10 5 EFBEHM COC(=O)c1cc(C)c(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001264211808 1316601584 /nfs/dbraw/zinc/60/15/84/1316601584.db2.gz DPOGGUXAGJHABO-UHFFFAOYSA-N -1 3 334.284 2.544 10 5 EFBEHM COc1cc(C(=O)[N-]c2cc(C(C)C)on2)c([N+](=O)[O-])cc1OC ZINC001289932734 1321837789 /nfs/dbraw/zinc/83/77/89/1321837789.db2.gz BYCLWQBMGWJSGU-UHFFFAOYSA-N -1 3 335.316 2.976 10 5 EFBEHM CC(=O)Nc1c(C)ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC001293103449 1322192760 /nfs/dbraw/zinc/19/27/60/1322192760.db2.gz QILSBTIELDAXPJ-UHFFFAOYSA-N -1 3 344.327 2.523 10 5 EFBEHM CC(=O)c1ccc(C(=O)N(C)CCc2cccc([N+](=O)[O-])c2)cc1[O-] ZINC001296874412 1323043033 /nfs/dbraw/zinc/04/30/33/1323043033.db2.gz FBEGHWNXRPRYMB-UHFFFAOYSA-N -1 3 342.351 2.818 10 5 EFBEHM O=c1[n-]ccc(NCCc2ccccc2OC(F)F)c1[N+](=O)[O-] ZINC001307096489 1324740948 /nfs/dbraw/zinc/74/09/48/1324740948.db2.gz HYWJVAJKDFCFCD-UHFFFAOYSA-N -1 3 325.271 2.951 10 5 EFBEHM CN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324911898 1329658886 /nfs/dbraw/zinc/65/88/86/1329658886.db2.gz AJEUFFXESOYMQB-SJLPKXTDSA-N -1 3 345.374 2.975 10 5 EFBEHM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1c[n-]c2ccccc2c1=O ZINC001348439821 1332836879 /nfs/dbraw/zinc/83/68/79/1332836879.db2.gz SDZCZFOSYCTMJS-UHFFFAOYSA-N -1 3 327.271 2.828 10 5 EFBEHM Cc1c(Cl)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nn1C ZINC001349535919 1332966137 /nfs/dbraw/zinc/96/61/37/1332966137.db2.gz FYNQJJFJRHHDQK-UHFFFAOYSA-N -1 3 330.678 2.821 10 5 EFBEHM COc1ccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc1F ZINC001358113060 1335361373 /nfs/dbraw/zinc/36/13/73/1335361373.db2.gz OKCTZRHETMOFDF-UHFFFAOYSA-N -1 3 331.259 2.838 10 5 EFBEHM CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1[O-] ZINC001450606737 1392662057 /nfs/dbraw/zinc/66/20/57/1392662057.db2.gz JNHFTLNIZRXEMF-UHFFFAOYSA-N -1 3 348.286 2.660 10 5 EFBEHM COC(C)(C)c1nsc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC001462060329 1396417977 /nfs/dbraw/zinc/41/79/77/1396417977.db2.gz MYJGOYXMUOBCKR-UHFFFAOYSA-N -1 3 336.373 2.889 10 5 EFBEHM CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001468601139 1396970531 /nfs/dbraw/zinc/97/05/31/1396970531.db2.gz KUFXUMXYVPNGKG-UHFFFAOYSA-N -1 3 329.312 2.797 10 5 EFBEHM COc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1OC(F)F ZINC001472654541 1397266497 /nfs/dbraw/zinc/26/64/97/1397266497.db2.gz HCQIZZQPJHGLIR-UHFFFAOYSA-N -1 3 341.270 2.918 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccsc3[N+](=O)[O-])C2)n1 ZINC001559278903 1415235828 /nfs/dbraw/zinc/23/58/28/1415235828.db2.gz WYUXWOCTBCKYHS-JTQLQIEISA-N -1 3 335.389 2.541 10 5 EFBEHM C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C(F)(F)F)n[n-]1 ZINC001559288952 1415237517 /nfs/dbraw/zinc/23/75/17/1415237517.db2.gz AGEXUMFWHCUFNQ-RXMQYKEDSA-N -1 3 341.253 2.781 10 5 EFBEHM CCc1nn(C)c(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC001559300861 1415238233 /nfs/dbraw/zinc/23/82/33/1415238233.db2.gz GNFPMXZCSQBCKH-XYPYZODXSA-N -1 3 346.391 2.525 10 5 EFBEHM O=C(Nc1ccccc1-c1ncco1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001646031496 1416603666 /nfs/dbraw/zinc/60/36/66/1416603666.db2.gz CXPSSFGSOTULKF-UHFFFAOYSA-N -1 3 326.268 2.603 10 5 EFBEHM CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884341 719677968 /nfs/dbraw/zinc/67/79/68/719677968.db2.gz FORFMUHMFNNASQ-RKDXNWHRSA-N -1 3 336.460 2.527 10 5 EFBEHM COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2[O-])cc1[N+](=O)[O-] ZINC001569927642 1085775075 /nfs/dbraw/zinc/77/50/75/1085775075.db2.gz GAYFPMGEILKANQ-UHFFFAOYSA-N -1 3 344.323 2.693 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001570015536 1085862827 /nfs/dbraw/zinc/86/28/27/1085862827.db2.gz ZVUVRDMYESDTKR-UHFFFAOYSA-N -1 3 346.295 2.680 10 5 EFBEHM O=C([N-]OCCOc1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] ZINC001648687810 1092253952 /nfs/dbraw/zinc/25/39/52/1092253952.db2.gz CISSZRIWCVLZJB-UHFFFAOYSA-N -1 3 336.731 2.989 10 5 EFBEHM O=C([N-]c1ncc(-c2cnccn2)s1)c1c(F)cccc1[N+](=O)[O-] ZINC001585450802 1092487820 /nfs/dbraw/zinc/48/78/20/1092487820.db2.gz MXDFQXSKBPFPHW-UHFFFAOYSA-N -1 3 345.315 2.900 10 5 EFBEHM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1cc(Cn2cccn2)on1 ZINC001587268555 1092796596 /nfs/dbraw/zinc/79/65/96/1092796596.db2.gz JZEDNTDOMJCDMO-UHFFFAOYSA-N -1 3 347.718 2.733 10 5 EFBEHM O=[N+]([O-])c1cnc2ccc(Cl)cc2c1SCCc1nnn[n-]1 ZINC001651166613 1093535258 /nfs/dbraw/zinc/53/52/58/1093535258.db2.gz ZXEBELUHLZVPRS-UHFFFAOYSA-N -1 3 336.764 2.644 10 5 EFBEHM O=[N+]([O-])c1cnc2ccc(Cl)cc2c1SCCc1nn[n-]n1 ZINC001651166613 1093535264 /nfs/dbraw/zinc/53/52/64/1093535264.db2.gz ZXEBELUHLZVPRS-UHFFFAOYSA-N -1 3 336.764 2.644 10 5 EFBEHM COc1ccc(-c2cc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])on2)cc1 ZINC001612592288 1099069015 /nfs/dbraw/zinc/06/90/15/1099069015.db2.gz YRHTXPQDVDBHRL-UHFFFAOYSA-N -1 3 342.311 2.971 10 5 EFBEHM CCOc1cc(C(=O)[N-]c2nccc3ccc([N+](=O)[O-])cc32)on1 ZINC001617091769 1099213015 /nfs/dbraw/zinc/21/30/15/1099213015.db2.gz OQLRRWGDBOJXGS-UHFFFAOYSA-N -1 3 328.284 2.782 10 5 EFBEHM O=C([N-]c1nc2c(s1)CCCC2=O)c1c(F)cccc1[N+](=O)[O-] ZINC001617816251 1099262252 /nfs/dbraw/zinc/26/22/52/1099262252.db2.gz HPZBBGYXZJYLGA-UHFFFAOYSA-N -1 3 335.316 2.962 10 5 EFBEHM C[C@@H](CN1CCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001624312190 1099681446 /nfs/dbraw/zinc/68/14/46/1099681446.db2.gz XHCWGLRJKMSWLI-JTQLQIEISA-N -1 3 341.795 2.558 10 5 EFBEHM CC(C)COc1ccccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001625143158 1099774347 /nfs/dbraw/zinc/77/43/47/1099774347.db2.gz UEUQYRDIFIAWDA-UHFFFAOYSA-N -1 3 331.328 2.983 10 5 EFBEHM O=C([N-]OCC(F)(F)F)c1c(Br)cccc1[N+](=O)[O-] ZINC001629819043 1100248394 /nfs/dbraw/zinc/24/83/94/1100248394.db2.gz IMDVSUBCEAXCPF-UHFFFAOYSA-N -1 3 343.055 2.581 10 5 EFBEHM O=C(NCCCc1c[n-][nH]c1=O)c1cc2ccccc2c2cccnc12 ZINC001630632492 1100324133 /nfs/dbraw/zinc/32/41/33/1100324133.db2.gz URCZJYVTPVYMMO-AWEZNQCLSA-N -1 3 346.390 2.630 10 5 EFBEHM Cc1cc(C)c2c(c1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC001632380329 1100470449 /nfs/dbraw/zinc/47/04/49/1100470449.db2.gz CSHZOFDJNPNHDH-UHFFFAOYSA-N -1 3 327.340 2.905 10 5 EFBEHM O=C(Nc1cc(-c2cccs2)on1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001638885480 1100895178 /nfs/dbraw/zinc/89/51/78/1100895178.db2.gz LXSOFHCLBXVGMO-UHFFFAOYSA-N -1 3 332.297 2.664 10 5 EFBEHM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001639348346 1100940558 /nfs/dbraw/zinc/94/05/58/1100940558.db2.gz ZSGFQTYBQCHSSE-UHFFFAOYSA-N -1 3 341.323 2.857 10 5 EFBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001640085984 1101012579 /nfs/dbraw/zinc/01/25/79/1101012579.db2.gz BQSCEMRIJTZPEV-VHSXEESVSA-N -1 3 348.334 2.910 10 5 EFBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC001640085985 1101012810 /nfs/dbraw/zinc/01/28/10/1101012810.db2.gz BQSCEMRIJTZPEV-ZJUUUORDSA-N -1 3 348.334 2.910 10 5 EFBEHM O=c1cc([C@@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)[n-][nH]1 ZINC001640108826 1101015249 /nfs/dbraw/zinc/01/52/49/1101015249.db2.gz BKIYSBBKSZNFGF-LLVKDONJSA-N -1 3 325.328 2.566 10 5 EFBEHM Cc1nn(C)c(C(=O)[N-]c2cc(-c3cccs3)on2)c1[N+](=O)[O-] ZINC001641716553 1101159060 /nfs/dbraw/zinc/15/90/60/1101159060.db2.gz CKZOPVPSWJOLHC-UHFFFAOYSA-N -1 3 333.329 2.606 10 5 EFBEHM CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(F)c1 ZINC001642609543 1101227332 /nfs/dbraw/zinc/22/73/32/1101227332.db2.gz VPNYVZPYAUKGCA-UHFFFAOYSA-N -1 3 333.319 2.753 10 5 EFBEHM CC(=O)c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC001643187392 1101277647 /nfs/dbraw/zinc/27/76/47/1101277647.db2.gz NFISBTGYUKEUQJ-UHFFFAOYSA-N -1 3 328.328 2.783 10 5 EFBEHM CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001643301938 1101288263 /nfs/dbraw/zinc/28/82/63/1101288263.db2.gz NJAKEPOETMRJMZ-HAQNSBGRSA-N -1 3 346.391 2.754 10 5 EFBEHM Cc1c(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC001655491353 1101834585 /nfs/dbraw/zinc/83/45/85/1101834585.db2.gz CZNUJMXKGFEESJ-UHFFFAOYSA-N -1 3 326.356 2.792 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001655491384 1101836908 /nfs/dbraw/zinc/83/69/08/1101836908.db2.gz DSZWCLVMEKOTBN-UHFFFAOYSA-N -1 3 348.309 2.762 10 5 EFBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001655615164 1101857651 /nfs/dbraw/zinc/85/76/51/1101857651.db2.gz YFFXJEASCAOLDV-WDEREUQCSA-N -1 3 330.344 2.771 10 5 EFBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC001655615162 1101859799 /nfs/dbraw/zinc/85/97/99/1101859799.db2.gz YFFXJEASCAOLDV-MNOVXSKESA-N -1 3 330.344 2.771 10 5 EFBEHM O=c1[n-]ccc(NC[C@@H](O)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001655658278 1101866830 /nfs/dbraw/zinc/86/68/30/1101866830.db2.gz XZYURHANDYETJY-OAHLLOKOSA-N -1 3 325.324 2.994 10 5 EFBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000588444683 1102539492 /nfs/dbraw/zinc/53/94/92/1102539492.db2.gz WMHNAYGYMRMBEE-SREVYHEPSA-N -1 3 341.249 2.774 10 5 EFBEHM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000588444683 1102539511 /nfs/dbraw/zinc/53/95/11/1102539511.db2.gz WMHNAYGYMRMBEE-SREVYHEPSA-N -1 3 341.249 2.774 10 5 EFBEHM COc1cc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1[O-] ZINC001648977985 1104297660 /nfs/dbraw/zinc/29/76/60/1104297660.db2.gz TXYIBGGPUHEEDS-UHFFFAOYSA-N -1 3 346.339 2.556 10 5 EFBEHM Cc1ccc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000100456670 219099632 /nfs/dbraw/zinc/09/96/32/219099632.db2.gz QCLNQUMVSNEKKK-UHFFFAOYSA-N -1 3 346.255 2.972 10 5 EFBEHM C[C@@H](C1CC1)n1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000066661083 215064506 /nfs/dbraw/zinc/06/45/06/215064506.db2.gz VJJSODJXQWMUHB-VIFPVBQESA-N -1 3 340.343 2.891 10 5 EFBEHM CC(C)(C)NN=c1nc[n-]c(NCCc2ccccc2)c1[N+](=O)[O-] ZINC000040610306 213358557 /nfs/dbraw/zinc/35/85/57/213358557.db2.gz CHQHAYATXCWZPY-UHFFFAOYSA-N -1 3 330.392 2.754 10 5 EFBEHM CN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177120 283138993 /nfs/dbraw/zinc/13/89/93/283138993.db2.gz ZXBVGJGFVMPIIP-FUHWJXTLSA-N -1 3 327.384 2.835 10 5 EFBEHM O=[N+]([O-])c1c(Sc2n[n-]c(-c3ccncc3)n2)nc2ccccn21 ZINC000012579315 211415068 /nfs/dbraw/zinc/41/50/68/211415068.db2.gz OETYNOQLXJYSHM-UHFFFAOYSA-N -1 3 339.340 2.574 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC000442781467 250117018 /nfs/dbraw/zinc/11/70/18/250117018.db2.gz IXUWDVACZVGFIW-NWDGAFQWSA-N -1 3 342.417 2.851 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccc(F)c3)cs2)n1 ZINC000344642369 142054057 /nfs/dbraw/zinc/05/40/57/142054057.db2.gz USZOERYMXHBKDN-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000352133307 146298285 /nfs/dbraw/zinc/29/82/85/146298285.db2.gz FYSDPRUSLISRQU-IJLUTSLNSA-N -1 3 342.417 2.706 10 5 EFBEHM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000352989150 146368252 /nfs/dbraw/zinc/36/82/52/146368252.db2.gz LQUAMZDOBWRYSY-CYBMUJFWSA-N -1 3 348.384 2.566 10 5 EFBEHM Cc1ccc2c(c1)CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000353003179 146372002 /nfs/dbraw/zinc/37/20/02/146372002.db2.gz KSQLAHKAGJWGSI-LBPRGKRZSA-N -1 3 338.410 2.931 10 5 EFBEHM CC[C@@H](C)N[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000359556263 148121480 /nfs/dbraw/zinc/12/14/80/148121480.db2.gz LVCNWRHBYMNWFZ-RISCZKNCSA-N -1 3 347.371 2.753 10 5 EFBEHM COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1ncccc1[O-] ZINC000359904356 148219811 /nfs/dbraw/zinc/21/98/11/148219811.db2.gz RYHHUGQNLJZSMU-UHFFFAOYSA-N -1 3 337.719 2.748 10 5 EFBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cccc(C)c2[N+](=O)[O-])s1 ZINC000364018473 149049888 /nfs/dbraw/zinc/04/98/88/149049888.db2.gz HHHKPTCUYGYOAL-UHFFFAOYSA-N -1 3 344.356 2.706 10 5 EFBEHM COc1ccc2c(c1)CCN2C(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000194956445 265397710 /nfs/dbraw/zinc/39/77/10/265397710.db2.gz OAFSGVULHQNGKD-UHFFFAOYSA-N -1 3 338.323 2.683 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000416550279 312192738 /nfs/dbraw/zinc/19/27/38/312192738.db2.gz DVSHNZNCPZPXLF-UHFFFAOYSA-N -1 3 330.431 2.966 10 5 EFBEHM CC[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CC(=O)[O-] ZINC000426657101 312524845 /nfs/dbraw/zinc/52/48/45/312524845.db2.gz LNKZKAUHJYFPQP-SECBINFHSA-N -1 3 332.303 2.787 10 5 EFBEHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCc1ncccc1[O-] ZINC000471908834 313171578 /nfs/dbraw/zinc/17/15/78/313171578.db2.gz XWXZTWPTNUATGW-UHFFFAOYSA-N -1 3 344.371 2.518 10 5 EFBEHM CCc1c([N-]c2ncc([N+](=O)[O-])cc2C(N)=O)cnn1CCC(C)C ZINC000491830586 313784801 /nfs/dbraw/zinc/78/48/01/313784801.db2.gz DYLJTMZNDDQICP-UHFFFAOYSA-N -1 3 346.391 2.637 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(F)(F)F ZINC000494413512 314584337 /nfs/dbraw/zinc/58/43/37/314584337.db2.gz DJQZVLIYYROZAM-NSHDSACASA-N -1 3 340.323 2.831 10 5 EFBEHM COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531888193 317328297 /nfs/dbraw/zinc/32/82/97/317328297.db2.gz SMBOLEMWBIXVRT-UHFFFAOYSA-N -1 3 335.341 2.707 10 5 EFBEHM COC(=O)c1c(C2CC2)csc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532145823 317362334 /nfs/dbraw/zinc/36/23/34/317362334.db2.gz MNTLAQHKEAYXDJ-UHFFFAOYSA-N -1 3 347.352 2.968 10 5 EFBEHM COc1cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)ccc1[N+](=O)[O-] ZINC000184899024 323377386 /nfs/dbraw/zinc/37/73/86/323377386.db2.gz ATZPTLKEROKCCE-UHFFFAOYSA-N -1 3 345.359 2.952 10 5 EFBEHM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111367852 473209821 /nfs/dbraw/zinc/20/98/21/473209821.db2.gz FZJUGSPJVSPYHS-YMTOWFKASA-N -1 3 338.410 2.868 10 5 EFBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452045221 476792445 /nfs/dbraw/zinc/79/24/45/476792445.db2.gz IGPBODQGBXNWTH-ONGXEEELSA-N -1 3 330.793 2.573 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000616422423 479905131 /nfs/dbraw/zinc/90/51/31/479905131.db2.gz ZHWAJQXYDGJNGY-ZDUSSCGKSA-N -1 3 349.412 2.689 10 5 EFBEHM Cc1csc(-c2nonc2[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000012622271 471786001 /nfs/dbraw/zinc/78/60/01/471786001.db2.gz UIKAZTDBRGMUGG-UHFFFAOYSA-N -1 3 345.340 2.970 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000067877275 472103203 /nfs/dbraw/zinc/10/32/03/472103203.db2.gz GSYCULGEKRIIHJ-ZIAGYGMSSA-N -1 3 332.381 2.738 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000098117496 472521068 /nfs/dbraw/zinc/52/10/68/472521068.db2.gz QEYQGOLYAUCTIE-SSDOTTSWSA-N -1 3 348.352 2.974 10 5 EFBEHM COc1ccc(Nc2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]2)cc1 ZINC000059909428 472632074 /nfs/dbraw/zinc/63/20/74/472632074.db2.gz NPRPUFDTRKARKD-UHFFFAOYSA-N -1 3 326.312 2.766 10 5 EFBEHM O=[N+]([O-])c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000131351502 472666266 /nfs/dbraw/zinc/66/62/66/472666266.db2.gz VLIOHNWAXWZXJC-UHFFFAOYSA-N -1 3 344.751 2.866 10 5 EFBEHM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000104753519 472690273 /nfs/dbraw/zinc/69/02/73/472690273.db2.gz STTHRQWSWNEZLJ-LBPRGKRZSA-N -1 3 338.410 2.931 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000092214694 472875320 /nfs/dbraw/zinc/87/53/20/472875320.db2.gz VVOWPVKSXAZXML-UHFFFAOYSA-N -1 3 344.249 2.730 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000123591919 473161292 /nfs/dbraw/zinc/16/12/92/473161292.db2.gz PALKELPHCUILTI-SSDOTTSWSA-N -1 3 347.443 2.769 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000123592123 473161400 /nfs/dbraw/zinc/16/14/00/473161400.db2.gz PALKELPHCUILTI-ZETCQYMHSA-N -1 3 347.443 2.769 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cccc3C)s2)n1 ZINC000191460085 473542011 /nfs/dbraw/zinc/54/20/11/473542011.db2.gz JZINNKJWBGGUSD-UHFFFAOYSA-N -1 3 331.357 2.982 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cccc3OC)s2)n1 ZINC000191471537 473543436 /nfs/dbraw/zinc/54/34/36/473543436.db2.gz ZOLDSNLDPZPSDL-UHFFFAOYSA-N -1 3 347.356 2.682 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC000173283403 473794518 /nfs/dbraw/zinc/79/45/18/473794518.db2.gz GISPGXMOUUGKQF-NSHDSACASA-N -1 3 342.417 2.851 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000186988678 473795098 /nfs/dbraw/zinc/79/50/98/473795098.db2.gz DAEGWVJDBXNFIP-SECBINFHSA-N -1 3 346.380 2.600 10 5 EFBEHM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000291625054 474634703 /nfs/dbraw/zinc/63/47/03/474634703.db2.gz HFTLQSAPBVTYGP-LRDDRELGSA-N -1 3 343.383 2.722 10 5 EFBEHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1cnc(OCC2CC2)cn1 ZINC000284634367 474697853 /nfs/dbraw/zinc/69/78/53/474697853.db2.gz LBGVJJJWBUXPRU-UHFFFAOYSA-N -1 3 332.291 2.565 10 5 EFBEHM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000337439644 475019727 /nfs/dbraw/zinc/01/97/27/475019727.db2.gz YVXDGSIHELKZHY-UHFFFAOYSA-N -1 3 332.360 2.742 10 5 EFBEHM CC(C)(C)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(O)c1 ZINC000337601981 475173932 /nfs/dbraw/zinc/17/39/32/475173932.db2.gz AZUSOKGPLZFQRQ-UHFFFAOYSA-N -1 3 331.328 2.951 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3ccccc3)ns2)n1 ZINC000357908959 475252937 /nfs/dbraw/zinc/25/29/37/475252937.db2.gz KFQWPJANBPQTIE-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM Cc1c2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2ccc1F ZINC000357937672 475275735 /nfs/dbraw/zinc/27/57/35/475275735.db2.gz TXVUYQSGNKIMID-UHFFFAOYSA-N -1 3 335.320 2.638 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345650485 475336643 /nfs/dbraw/zinc/33/66/43/475336643.db2.gz WTEOYOURVAHHCK-NSHDSACASA-N -1 3 340.323 2.768 10 5 EFBEHM CC(C)(C)c1ccc(C(=O)NCc2ncccc2[O-])cc1[N+](=O)[O-] ZINC000352518803 475375564 /nfs/dbraw/zinc/37/55/64/475375564.db2.gz ZMSJUSBJGIRUTH-UHFFFAOYSA-N -1 3 329.356 2.923 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C ZINC000354776435 475400224 /nfs/dbraw/zinc/40/02/24/475400224.db2.gz YHABUCRDOLNFMJ-NEPJUHHUSA-N -1 3 342.417 2.708 10 5 EFBEHM C[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000352671140 475514012 /nfs/dbraw/zinc/51/40/12/475514012.db2.gz LFOPXWLJTUZLHR-CYBMUJFWSA-N -1 3 343.383 2.551 10 5 EFBEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000355229172 475763742 /nfs/dbraw/zinc/76/37/42/475763742.db2.gz CZJXWGARRXIFIH-UHFFFAOYSA-N -1 3 348.322 2.535 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(F)cc2C(F)(F)F)n1 ZINC000355501332 475990011 /nfs/dbraw/zinc/99/00/11/475990011.db2.gz WPOIZMCQCATQHE-UHFFFAOYSA-N -1 3 332.213 2.739 10 5 EFBEHM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000360888369 476455826 /nfs/dbraw/zinc/45/58/26/476455826.db2.gz LWELSWBSXOZROJ-QWRGUYRKSA-N -1 3 330.406 2.706 10 5 EFBEHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000446106982 476830662 /nfs/dbraw/zinc/83/06/62/476830662.db2.gz DULANAXEHJZOOV-UHFFFAOYSA-N -1 3 348.286 2.781 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CC(C)(C)CC3)n1 ZINC000416096527 477017204 /nfs/dbraw/zinc/01/72/04/477017204.db2.gz FCHFPAANFHMBQO-UHFFFAOYSA-N -1 3 335.389 2.552 10 5 EFBEHM CC1(C)CCCN[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423741436 477129052 /nfs/dbraw/zinc/12/90/52/477129052.db2.gz JXYYLMLJLPIKJY-GFCCVEGCSA-N -1 3 327.768 2.671 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000416558162 477215714 /nfs/dbraw/zinc/21/57/14/477215714.db2.gz OPMXMQPRZIOWCB-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)F ZINC000451084338 477815084 /nfs/dbraw/zinc/81/50/84/477815084.db2.gz QVIQNJCAHLSQMM-VIFPVBQESA-N -1 3 342.751 2.879 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000558682591 477917534 /nfs/dbraw/zinc/91/75/34/477917534.db2.gz VQDAVRKJCLUJMZ-UHFFFAOYSA-N -1 3 340.323 2.603 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC)c3cccnc23)n1 ZINC000562346906 478236425 /nfs/dbraw/zinc/23/64/25/478236425.db2.gz DNXGPPPVUCFEGN-UHFFFAOYSA-N -1 3 341.327 2.620 10 5 EFBEHM C[C@@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000562408018 478245340 /nfs/dbraw/zinc/24/53/40/478245340.db2.gz AZDJSBIMCAUTJI-LLVKDONJSA-N -1 3 337.339 2.544 10 5 EFBEHM CN1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000570970586 478492797 /nfs/dbraw/zinc/49/27/97/478492797.db2.gz XJVMNYBHKUIBFT-KBPBESRZSA-N -1 3 342.355 2.545 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000591328577 478525365 /nfs/dbraw/zinc/52/53/65/478525365.db2.gz VAFFDFOKTWWLKU-GFCCVEGCSA-N -1 3 334.344 2.678 10 5 EFBEHM CCC1([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594761625 478534256 /nfs/dbraw/zinc/53/42/56/478534256.db2.gz RDWDBWXCKMQRLE-UHFFFAOYSA-N -1 3 335.385 2.754 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)c1C ZINC000594797367 478544916 /nfs/dbraw/zinc/54/49/16/478544916.db2.gz UYLXWKKRVRSWOG-LBPRGKRZSA-N -1 3 349.412 2.689 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)cc1C ZINC000594853542 478562203 /nfs/dbraw/zinc/56/22/03/478562203.db2.gz ZNCYZHHTNWJWFZ-LBPRGKRZSA-N -1 3 334.344 2.535 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cc1C ZINC000594856854 478562776 /nfs/dbraw/zinc/56/27/76/478562776.db2.gz JJWPZRKYJYOXLP-CYBMUJFWSA-N -1 3 348.371 2.925 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594856497 478562799 /nfs/dbraw/zinc/56/27/99/478562799.db2.gz GNZPMOHXJWROFR-GFCCVEGCSA-N -1 3 334.344 2.535 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594856498 478563533 /nfs/dbraw/zinc/56/35/33/478563533.db2.gz GNZPMOHXJWROFR-LBPRGKRZSA-N -1 3 334.344 2.535 10 5 EFBEHM CC(C)(C)CCN1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000571883703 478699047 /nfs/dbraw/zinc/69/90/47/478699047.db2.gz DSEBBMJFOLDUOS-UHFFFAOYSA-N -1 3 335.404 2.851 10 5 EFBEHM O=C([O-])CCN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000595280431 478712158 /nfs/dbraw/zinc/71/21/58/478712158.db2.gz GXQDWUYFLMPJHH-UHFFFAOYSA-N -1 3 344.367 2.951 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000595351729 478742316 /nfs/dbraw/zinc/74/23/16/478742316.db2.gz LMDNZHWGRWQJLE-MRVPVSSYSA-N -1 3 340.373 2.534 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595358615 478745839 /nfs/dbraw/zinc/74/58/39/478745839.db2.gz GCVQYUKFBCPUER-VOMCLLRMSA-N -1 3 330.381 2.790 10 5 EFBEHM CSCCCCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601397911 478819348 /nfs/dbraw/zinc/81/93/48/478819348.db2.gz WTMCUPFHWOHHOL-UHFFFAOYSA-N -1 3 338.476 2.776 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000601460597 478843309 /nfs/dbraw/zinc/84/33/09/478843309.db2.gz JQCCXLMCWATAGB-WDEREUQCSA-N -1 3 348.446 2.591 10 5 EFBEHM C[C@]1(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)C[C@H]2C[C@H]2C1 ZINC000598680230 478967047 /nfs/dbraw/zinc/96/70/47/478967047.db2.gz DLXGPYCMIPOAKP-PBKGOJFUSA-N -1 3 326.356 2.782 10 5 EFBEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000592950635 479106289 /nfs/dbraw/zinc/10/62/89/479106289.db2.gz XSNTVJIGEWMNMO-UHFFFAOYSA-N -1 3 327.344 2.905 10 5 EFBEHM COc1cc(=NC(=O)c2cc3ccccc3c3cccnc23)[n-]n1C ZINC000548142962 479123694 /nfs/dbraw/zinc/12/36/94/479123694.db2.gz IOHCHZJCQLPRDS-UHFFFAOYSA-N -1 3 332.363 2.804 10 5 EFBEHM CCO[C@H](C)c1nc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596139016 479159581 /nfs/dbraw/zinc/15/95/81/479159581.db2.gz QTIYOACDJVCAQB-SECBINFHSA-N -1 3 338.389 2.886 10 5 EFBEHM Cc1c(Br)cc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-] ZINC000611073713 479277161 /nfs/dbraw/zinc/27/71/61/479277161.db2.gz QPHBHAFWRKMHDF-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599444900 479300601 /nfs/dbraw/zinc/30/06/01/479300601.db2.gz HFAFQVHSJXUQGR-UHFFFAOYSA-N -1 3 336.360 2.945 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599520252 479320810 /nfs/dbraw/zinc/32/08/10/479320810.db2.gz HWNAMQZDMUEJGT-SNVBAGLBSA-N -1 3 330.431 2.823 10 5 EFBEHM O=C([O-])C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000596658076 479376231 /nfs/dbraw/zinc/37/62/31/479376231.db2.gz PNQHOXPLEKQGDR-UHFFFAOYSA-N -1 3 330.287 2.541 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCCCC2)nc1 ZINC000593577697 479392947 /nfs/dbraw/zinc/39/29/47/479392947.db2.gz HKALUYCNJZHHDU-UHFFFAOYSA-N -1 3 325.390 2.549 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1C ZINC000588144397 479398266 /nfs/dbraw/zinc/39/82/66/479398266.db2.gz HYDFLWWRTGDDNM-GFCCVEGCSA-N -1 3 334.344 2.678 10 5 EFBEHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144579 479398400 /nfs/dbraw/zinc/39/84/00/479398400.db2.gz OMKMFZSZXMSUTM-LBPRGKRZSA-N -1 3 334.344 2.623 10 5 EFBEHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCc3ccccc3CC2)c1 ZINC000593737760 479441232 /nfs/dbraw/zinc/44/12/32/479441232.db2.gz SSOHMBIGRZFIQH-UHFFFAOYSA-N -1 3 326.352 2.894 10 5 EFBEHM Cc1c(Cl)cc(S(=O)(=O)[N-]C(C)(C)C(F)F)cc1[N+](=O)[O-] ZINC000619503101 479813603 /nfs/dbraw/zinc/81/36/03/479813603.db2.gz QOLLTMUKDMALGE-UHFFFAOYSA-N -1 3 342.751 2.879 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000179994577 525474152 /nfs/dbraw/zinc/47/41/52/525474152.db2.gz JWGCOXCLHUMEBY-CQSZACIVSA-N -1 3 340.401 2.605 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000066327368 525508594 /nfs/dbraw/zinc/50/85/94/525508594.db2.gz JHWIHZAPRHQBIW-ZETCQYMHSA-N -1 3 348.352 2.974 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)cc2[nH]ccc21 ZINC000425984628 536560064 /nfs/dbraw/zinc/56/00/64/536560064.db2.gz JXIBYKKGOVTNNG-UHFFFAOYSA-N -1 3 329.268 2.708 10 5 EFBEHM CC(=O)CCCCCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001212307418 1252748123 /nfs/dbraw/zinc/74/81/23/1252748123.db2.gz YVFVNIMBXUHLKW-UHFFFAOYSA-N -1 3 348.446 2.783 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C)c(C(=O)OC)o1 ZINC001128407306 1264652631 /nfs/dbraw/zinc/65/26/31/1264652631.db2.gz HDNBRFYYJOIBJW-UHFFFAOYSA-N -1 3 348.311 2.934 10 5 EFBEHM O=C(Nc1ccc(-c2cnco2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001136312446 1277066689 /nfs/dbraw/zinc/06/66/89/1277066689.db2.gz DKCFVHLIZUQUPU-UHFFFAOYSA-N -1 3 326.268 2.603 10 5 EFBEHM COc1ccc(C2CC2)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001175300079 1287380531 /nfs/dbraw/zinc/38/05/31/1287380531.db2.gz LNEFZEXOZFDABG-UHFFFAOYSA-N -1 3 329.312 2.834 10 5 EFBEHM C[C@@]1(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000845974972 1279952179 /nfs/dbraw/zinc/95/21/79/1279952179.db2.gz NRLZDRGGWVIZOA-ZJUUUORDSA-N -1 3 342.801 2.639 10 5 EFBEHM CN(C)C(=O)c1ccc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC001131619636 1282100342 /nfs/dbraw/zinc/10/03/42/1282100342.db2.gz CCXUAFXLRKAFBH-UHFFFAOYSA-N -1 3 349.293 2.827 10 5 EFBEHM O=C(OCCn1cc([N+](=O)[O-])cn1)c1cc2cc(Cl)sc2[n-]1 ZINC000810708630 1283544223 /nfs/dbraw/zinc/54/42/23/1283544223.db2.gz HAPJVNGJUUZFGT-UHFFFAOYSA-N -1 3 340.748 2.845 10 5 EFBEHM C[C@@]1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000853844256 1300305676 /nfs/dbraw/zinc/30/56/76/1300305676.db2.gz VMSPTTHAMMVWNL-NSHDSACASA-N -1 3 336.241 2.728 10 5 EFBEHM CC[C@H](C)CO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868522321 1304338353 /nfs/dbraw/zinc/33/83/53/1304338353.db2.gz FPRUONZBVWOXQL-VIFPVBQESA-N -1 3 345.193 2.994 10 5 EFBEHM C[C@](NC[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901933357 1311210419 /nfs/dbraw/zinc/21/04/19/1311210419.db2.gz ABJWUNSRWJNONI-JOYOIKCWSA-N -1 3 333.171 2.678 10 5 EFBEHM COC(=O)c1ccc(C(=O)Nc2nccc3c2cccc3[N+](=O)[O-])[n-]1 ZINC001161557563 1311915535 /nfs/dbraw/zinc/91/55/35/1311915535.db2.gz WFUQQYNYTYHQKN-UHFFFAOYSA-N -1 3 340.295 2.510 10 5 EFBEHM COc1cccc2nc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)sc21 ZINC001163626555 1312350130 /nfs/dbraw/zinc/35/01/30/1312350130.db2.gz QVWVLBQDNIIEQK-UHFFFAOYSA-N -1 3 346.324 2.566 10 5 EFBEHM CCC(=O)c1ccc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])c1 ZINC001163643907 1312353444 /nfs/dbraw/zinc/35/34/44/1312353444.db2.gz ZZFQWEJYJYEFSQ-NSHDSACASA-N -1 3 330.344 2.610 10 5 EFBEHM CCc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)c([O-])c1 ZINC001290823938 1321963954 /nfs/dbraw/zinc/96/39/54/1321963954.db2.gz RGPNSCCQHRXFHI-UHFFFAOYSA-N -1 3 329.356 2.705 10 5 EFBEHM Cc1noc(-c2ccccc2)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001296062976 1322847218 /nfs/dbraw/zinc/84/72/18/1322847218.db2.gz CPEJUHVIDBCQNP-UHFFFAOYSA-N -1 3 340.295 2.911 10 5 EFBEHM C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001307218846 1323021471 /nfs/dbraw/zinc/02/14/71/1323021471.db2.gz CYAARURDIORQCQ-ZCFIWIBFSA-N -1 3 341.253 2.553 10 5 EFBEHM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001296875257 1323043179 /nfs/dbraw/zinc/04/31/79/1323043179.db2.gz HEOCOBMRDAPLCP-UHFFFAOYSA-N -1 3 332.331 2.683 10 5 EFBEHM COc1nsc(OC)c1C(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC001298809429 1323614565 /nfs/dbraw/zinc/61/45/65/1323614565.db2.gz NXNZDYQRHDDGOH-UHFFFAOYSA-N -1 3 337.357 2.938 10 5 EFBEHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]Oc1ccccc1F ZINC001303333220 1324603604 /nfs/dbraw/zinc/60/36/04/1324603604.db2.gz XQUQCYQNIAVVRM-UHFFFAOYSA-N -1 3 332.287 2.807 10 5 EFBEHM O=[N+]([O-])c1ccc(SCCc2nnn[n-]2)nc1-c1ccc(F)cc1 ZINC001307145122 1324744765 /nfs/dbraw/zinc/74/47/65/1324744765.db2.gz KBQXZFPSNMGCNC-UHFFFAOYSA-N -1 3 346.347 2.644 10 5 EFBEHM O=[N+]([O-])c1ccc(SCCc2nn[n-]n2)nc1-c1ccc(F)cc1 ZINC001307145122 1324744771 /nfs/dbraw/zinc/74/47/71/1324744771.db2.gz KBQXZFPSNMGCNC-UHFFFAOYSA-N -1 3 346.347 2.644 10 5 EFBEHM C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001307219773 1324751337 /nfs/dbraw/zinc/75/13/37/1324751337.db2.gz TYOPLELGLCIVCG-BYPYZUCNSA-N -1 3 336.661 2.953 10 5 EFBEHM O=C([N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC001330692395 1330764923 /nfs/dbraw/zinc/76/49/23/1330764923.db2.gz MGEPDMJJVBSPBS-FJPPDTINSA-N -1 3 348.252 2.726 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)cc1C ZINC001346703385 1332675050 /nfs/dbraw/zinc/67/50/50/1332675050.db2.gz SLPJOSIWTQMIDH-UHFFFAOYSA-N -1 3 346.355 2.678 10 5 EFBEHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1c(F)cccc1[N+](=O)[O-] ZINC001352300393 1333460990 /nfs/dbraw/zinc/46/09/90/1333460990.db2.gz OFQYUJZCFPMRHF-UHFFFAOYSA-N -1 3 335.316 2.962 10 5 EFBEHM O=C([N-][C@@H]1CCC(F)(F)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584556 1334807650 /nfs/dbraw/zinc/80/76/50/1334807650.db2.gz BQCQEOZEOYKUOJ-MRVPVSSYSA-N -1 3 336.241 2.870 10 5 EFBEHM O=C(c1c[n-]c2ccccc2c1=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001360945922 1335950514 /nfs/dbraw/zinc/95/05/14/1335950514.db2.gz FYFLKZTYUWNTLP-UHFFFAOYSA-N -1 3 335.319 2.639 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1cc(OC)cnc1F ZINC001438365059 1388536388 /nfs/dbraw/zinc/53/63/88/1388536388.db2.gz VPURIBOBYGCKRW-UHFFFAOYSA-N -1 3 335.291 2.789 10 5 EFBEHM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cnc(C2CC2)[n-]c1=O ZINC001545768748 1380524595 /nfs/dbraw/zinc/52/45/95/1380524595.db2.gz FBEVMHQPMLRTLJ-UHFFFAOYSA-N -1 3 348.746 2.551 10 5 EFBEHM CC(=O)c1ccc(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)cc1[O-] ZINC001454900781 1394374304 /nfs/dbraw/zinc/37/43/04/1394374304.db2.gz SARLNUWZHIYTMA-UHFFFAOYSA-N -1 3 328.324 2.741 10 5 EFBEHM O=c1[n-]ccc(NCc2ccc(Cn3cccn3)cc2)c1[N+](=O)[O-] ZINC001458063621 1395402369 /nfs/dbraw/zinc/40/23/69/1395402369.db2.gz XLUDKDDYRXWRNA-UHFFFAOYSA-N -1 3 325.328 2.552 10 5 EFBEHM O=c1[n-]ccc(NCCc2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001458084422 1395404298 /nfs/dbraw/zinc/40/42/98/1395404298.db2.gz KLDYJTJKQYKLFO-UHFFFAOYSA-N -1 3 325.328 2.536 10 5 EFBEHM Cc1noc(COc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001458194342 1395423505 /nfs/dbraw/zinc/42/35/05/1395423505.db2.gz JXYVMOQVYPFBEZ-UHFFFAOYSA-N -1 3 343.299 2.709 10 5 EFBEHM CC(=O)c1cccc(NC(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)c1[O-] ZINC001468602296 1396970505 /nfs/dbraw/zinc/97/05/05/1396970505.db2.gz SXLCZFJIMVGUBN-UHFFFAOYSA-N -1 3 349.730 2.991 10 5 EFBEHM Cc1ccc(CSc2nc3c(cnn3C)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC001473059548 1397279645 /nfs/dbraw/zinc/27/96/45/1397279645.db2.gz RMUKJAVEXPBUPC-UHFFFAOYSA-N -1 3 331.357 2.578 10 5 EFBEHM CCC(CC)Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001556804744 1415089399 /nfs/dbraw/zinc/08/93/99/1415089399.db2.gz MYNIJYRUZXXHQM-UHFFFAOYSA-N -1 3 344.371 2.970 10 5 EFBEHM Cc1nc(C)n(Cc2cccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])c2)n1 ZINC001559125711 1415225738 /nfs/dbraw/zinc/22/57/38/1415225738.db2.gz MOCMLCZRFFESRE-UHFFFAOYSA-N -1 3 340.343 2.696 10 5 EFBEHM O=c1[n-]ccc(NCCc2cccc3c2OC(F)(F)O3)c1[N+](=O)[O-] ZINC001559239841 1415232187 /nfs/dbraw/zinc/23/21/87/1415232187.db2.gz QALUJTBKJPFDLN-UHFFFAOYSA-N -1 3 339.254 2.672 10 5 EFBEHM CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC001565983543 1415470159 /nfs/dbraw/zinc/47/01/59/1415470159.db2.gz KOIHIYWPFXAKML-UHFFFAOYSA-N -1 3 344.323 2.902 10 5 EFBEHM Cc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(N)c1[N+](=O)[O-] ZINC001646255811 1416638930 /nfs/dbraw/zinc/63/89/30/1416638930.db2.gz RSLOAJGVUGIJKF-UHFFFAOYSA-N -1 3 338.323 2.579 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)n2)c(C)s1 ZINC001583549716 1092033757 /nfs/dbraw/zinc/03/37/57/1092033757.db2.gz OXQMLKVWYSCGKU-UHFFFAOYSA-N -1 3 335.341 2.707 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001584910474 1092322868 /nfs/dbraw/zinc/32/28/68/1092322868.db2.gz ATEZPSPTSJBRBK-UHFFFAOYSA-N -1 3 329.238 2.601 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001584910474 1092322879 /nfs/dbraw/zinc/32/28/79/1092322879.db2.gz ATEZPSPTSJBRBK-UHFFFAOYSA-N -1 3 329.238 2.601 10 5 EFBEHM CCOc1ccc(N(CC)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001588313621 1092916767 /nfs/dbraw/zinc/91/67/67/1092916767.db2.gz NZEIIEKIGKQNEL-UHFFFAOYSA-N -1 3 331.328 2.761 10 5 EFBEHM CC(C)c1nsc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC001594768698 1094438564 /nfs/dbraw/zinc/43/85/64/1094438564.db2.gz DFVFWEWAMOFWKD-UHFFFAOYSA-N -1 3 325.325 2.543 10 5 EFBEHM Nc1c(Cl)cc(C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001595588967 1094478581 /nfs/dbraw/zinc/47/85/81/1094478581.db2.gz FVMDTZLPKGXADD-UHFFFAOYSA-N -1 3 339.710 2.605 10 5 EFBEHM O=c1cc(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc(C2CCC2)[n-]1 ZINC001612672157 1099073738 /nfs/dbraw/zinc/07/37/38/1099073738.db2.gz NBXRSCKNCJMRQR-UHFFFAOYSA-N -1 3 340.343 2.846 10 5 EFBEHM O=c1cc(CNc2ncnc3ccc([N+](=O)[O-])cc32)nc(C2CC2)[n-]1 ZINC001612912827 1099084766 /nfs/dbraw/zinc/08/47/66/1099084766.db2.gz JLMWYMQFNHGWPU-UHFFFAOYSA-N -1 3 338.327 2.523 10 5 EFBEHM CCc1cc([N-]C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)no1 ZINC001617904775 1099266394 /nfs/dbraw/zinc/26/63/94/1099266394.db2.gz FVQDJJQXIVUOAO-UHFFFAOYSA-N -1 3 333.300 2.559 10 5 EFBEHM COc1nsc(OC)c1C(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC001618150120 1099281740 /nfs/dbraw/zinc/28/17/40/1099281740.db2.gz NBMLAZPMDAUPTR-UHFFFAOYSA-N -1 3 337.357 2.938 10 5 EFBEHM COc1cc(C(=O)[N-]c2noc3c2CCCC3)c([N+](=O)[O-])cc1OC ZINC001627740328 1100027985 /nfs/dbraw/zinc/02/79/85/1100027985.db2.gz ATSBGLRUZYNZNT-UHFFFAOYSA-N -1 3 347.327 2.731 10 5 EFBEHM Cc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC001630958304 1100357040 /nfs/dbraw/zinc/35/70/40/1100357040.db2.gz OLTWAEGPBVGRTD-UHFFFAOYSA-N -1 3 342.355 2.596 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631825480 1100430961 /nfs/dbraw/zinc/43/09/61/1100430961.db2.gz HRFPNMXXMJLQHX-GFCCVEGCSA-N -1 3 344.371 2.578 10 5 EFBEHM CCc1cccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC001632080388 1100452346 /nfs/dbraw/zinc/45/23/46/1100452346.db2.gz FEVQDQXZYFWDRZ-GOSISDBHSA-N -1 3 344.367 2.500 10 5 EFBEHM CC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1[O-] ZINC001633826753 1100568489 /nfs/dbraw/zinc/56/84/89/1100568489.db2.gz CJXJPWOGZBROCF-JTQLQIEISA-N -1 3 328.324 2.994 10 5 EFBEHM C[C@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccc([N+](=O)[O-])c1 ZINC001637294554 1100770513 /nfs/dbraw/zinc/77/05/13/1100770513.db2.gz PWKOJZNFPMLMIL-VIFPVBQESA-N -1 3 326.312 2.919 10 5 EFBEHM CN(Cc1ccc2c(c1)OC(F)(F)O2)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001640087429 1101012517 /nfs/dbraw/zinc/01/25/17/1101012517.db2.gz YLHSRJBZNXDGAO-UHFFFAOYSA-N -1 3 339.254 2.653 10 5 EFBEHM O=c1[n-]ccc(NCCNc2ncccc2C(F)(F)F)c1[N+](=O)[O-] ZINC001642095171 1101190014 /nfs/dbraw/zinc/19/00/14/1101190014.db2.gz APRJAWUEAVTXDH-UHFFFAOYSA-N -1 3 343.265 2.633 10 5 EFBEHM O=c1[n-]ccc(NC[C@H](O)c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001642525471 1101219688 /nfs/dbraw/zinc/21/96/88/1101219688.db2.gz RTIDEQBDMIIQOD-NSHDSACASA-N -1 3 327.699 2.633 10 5 EFBEHM O=[N+]([O-])c1cccc2c1CCN2Cc1nnc(-c2ccccc2[O-])o1 ZINC001642580491 1101224521 /nfs/dbraw/zinc/22/45/21/1101224521.db2.gz OOMRLBYFKJVPMZ-UHFFFAOYSA-N -1 3 338.323 2.913 10 5 EFBEHM O=c1[n-]ccc(NCc2cccc(Cn3cccn3)c2)c1[N+](=O)[O-] ZINC001651408441 1101323685 /nfs/dbraw/zinc/32/36/85/1101323685.db2.gz KXNVTQDVUNXFPI-UHFFFAOYSA-N -1 3 325.328 2.552 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3c(F)cccc3[N+](=O)[O-])CC2)n1 ZINC001651460465 1101332833 /nfs/dbraw/zinc/33/28/33/1101332833.db2.gz NYJOIBMXOCIGAV-UHFFFAOYSA-N -1 3 347.350 2.619 10 5 EFBEHM C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001651988866 1101414411 /nfs/dbraw/zinc/41/44/11/1101414411.db2.gz FZOPOABWEPWXRS-UWVGGRQHSA-N -1 3 348.334 2.910 10 5 EFBEHM C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001651988865 1101415268 /nfs/dbraw/zinc/41/52/68/1101415268.db2.gz FZOPOABWEPWXRS-NXEZZACHSA-N -1 3 348.334 2.910 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(c1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC001652189319 1101449452 /nfs/dbraw/zinc/44/94/52/1101449452.db2.gz UBUMFAMUXIFCFC-UHFFFAOYSA-N -1 3 334.282 2.766 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001652225514 1101455143 /nfs/dbraw/zinc/45/51/43/1101455143.db2.gz MCMDOKNNSAFBEM-ZDUSSCGKSA-N -1 3 343.387 2.788 10 5 EFBEHM O=c1cc(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)nc(C2CC2)[n-]1 ZINC001656276717 1102024035 /nfs/dbraw/zinc/02/40/35/1102024035.db2.gz QSUYFZFKHFGAAP-UHFFFAOYSA-N -1 3 337.339 2.880 10 5 EFBEHM CCOC(=O)c1ccc([N-]c2ncnc(OCC)c2[N+](=O)[O-])cc1 ZINC000040645788 213363712 /nfs/dbraw/zinc/36/37/12/213363712.db2.gz ZLSDFTXPFUUNIO-UHFFFAOYSA-N -1 3 332.316 2.704 10 5 EFBEHM O=[N+]([O-])c1c([N-]c2cccc3cccnc32)ncnc1-n1ccnc1 ZINC000040626567 213360954 /nfs/dbraw/zinc/36/09/54/213360954.db2.gz WXLRLKWKKGBNQA-UHFFFAOYSA-N -1 3 333.311 2.862 10 5 EFBEHM COc1ccc(CNc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040619328 213359020 /nfs/dbraw/zinc/35/90/20/213359020.db2.gz POCAUYBJZODTFY-UHFFFAOYSA-N -1 3 346.391 2.721 10 5 EFBEHM Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000038033747 213194623 /nfs/dbraw/zinc/19/46/23/213194623.db2.gz VVTYOGRKUUYJKO-UHFFFAOYSA-N -1 3 327.749 2.631 10 5 EFBEHM COc1ccccc1Nc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000196214622 241034781 /nfs/dbraw/zinc/03/47/81/241034781.db2.gz XNGMGJSKABWSER-UHFFFAOYSA-N -1 3 326.312 2.766 10 5 EFBEHM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000356260289 296104362 /nfs/dbraw/zinc/10/43/62/296104362.db2.gz VNXXXPKOFLPCSE-SJKOYZFVSA-N -1 3 343.383 2.722 10 5 EFBEHM COC(=O)c1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000427339041 247339154 /nfs/dbraw/zinc/33/91/54/247339154.db2.gz SJRWMCDMZPMMNI-UHFFFAOYSA-N -1 3 348.286 2.781 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC000467133983 256009285 /nfs/dbraw/zinc/00/92/85/256009285.db2.gz PWJISTQAWFICKE-CQSZACIVSA-N -1 3 342.417 2.851 10 5 EFBEHM CCCN(CCN1CCCCC1)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000342783671 145192502 /nfs/dbraw/zinc/19/25/02/145192502.db2.gz PFZCCBBFDSZQTL-UHFFFAOYSA-N -1 3 335.404 2.639 10 5 EFBEHM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000353006610 146372543 /nfs/dbraw/zinc/37/25/43/146372543.db2.gz XERPCVAUAYJRGR-UHFFFAOYSA-N -1 3 341.414 2.573 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000360439210 286351222 /nfs/dbraw/zinc/35/12/22/286351222.db2.gz WRIGOFBQVOCEJX-UHFFFAOYSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000193823917 273065085 /nfs/dbraw/zinc/06/50/85/273065085.db2.gz SNYUYGFQJXYVJX-UHFFFAOYSA-N -1 3 328.390 2.605 10 5 EFBEHM CC(C)c1nn(C)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000280286971 273311527 /nfs/dbraw/zinc/31/15/27/273311527.db2.gz TWRGKJJNMFLPLG-UHFFFAOYSA-N -1 3 328.332 2.580 10 5 EFBEHM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cnc(OCC2CC2)cn1 ZINC000283858650 273768395 /nfs/dbraw/zinc/76/83/95/273768395.db2.gz MTHQIYFJJNNEFU-UHFFFAOYSA-N -1 3 332.291 2.565 10 5 EFBEHM COc1cc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ncn1 ZINC000448184523 277384864 /nfs/dbraw/zinc/38/48/64/277384864.db2.gz GGXMJIZQQPSOLJ-UHFFFAOYSA-N -1 3 342.233 2.665 10 5 EFBEHM COc1nn(C)cc1[N-]c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000352611583 278101370 /nfs/dbraw/zinc/10/13/70/278101370.db2.gz CRXRNELITBAYOC-UHFFFAOYSA-N -1 3 325.328 2.564 10 5 EFBEHM O=C([O-])[C@@H]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000417647849 312252482 /nfs/dbraw/zinc/25/24/82/312252482.db2.gz MFVQWCDHTHOAOK-BXKDBHETSA-N -1 3 344.314 2.787 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(-c3ccco3)cc2F)n1 ZINC000489404962 313572012 /nfs/dbraw/zinc/57/20/12/313572012.db2.gz JLIXANJZPKXFDU-UHFFFAOYSA-N -1 3 330.275 2.980 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000549914474 318184497 /nfs/dbraw/zinc/18/44/97/318184497.db2.gz FJTJNRKFUVFINE-GJZGRUSLSA-N -1 3 346.408 2.985 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1[N+](=O)[O-] ZINC000616406484 479900845 /nfs/dbraw/zinc/90/08/45/479900845.db2.gz ITQUHNVWLXAAAT-UHFFFAOYSA-N -1 3 344.776 2.937 10 5 EFBEHM O=c1[n-]nc(S/C=C/c2ccc([N+](=O)[O-])o2)n1Cc1ccccc1 ZINC000012940553 471807024 /nfs/dbraw/zinc/80/70/24/471807024.db2.gz PCCCOIOWEGJIQH-CMDGGOBGSA-N -1 3 344.352 2.884 10 5 EFBEHM COc1cc(=O)c2c([O-])c3cc(OC)c(OC)c(OC)c3oc-2c1 ZINC000014649058 471876719 /nfs/dbraw/zinc/87/67/19/471876719.db2.gz MOWPWSJKLYDJIR-UHFFFAOYSA-N -1 3 332.308 2.686 10 5 EFBEHM COc1cc([O-])c2c(c1)oc1c(cc(OC)c(OC)c1OC)c2=O ZINC000014649058 471876721 /nfs/dbraw/zinc/87/67/21/471876721.db2.gz MOWPWSJKLYDJIR-UHFFFAOYSA-N -1 3 332.308 2.686 10 5 EFBEHM C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000056083880 472279865 /nfs/dbraw/zinc/27/98/65/472279865.db2.gz WJRUHLLCXFMWGP-NSHDSACASA-N -1 3 337.335 2.927 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000030493976 472333917 /nfs/dbraw/zinc/33/39/17/472333917.db2.gz AWXDDZYKSOLGCV-NSHDSACASA-N -1 3 330.406 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000030494261 472333986 /nfs/dbraw/zinc/33/39/86/472333986.db2.gz ZTHVMPNKBCMLAI-NTZNESFSSA-N -1 3 342.417 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000030496071 472334201 /nfs/dbraw/zinc/33/42/01/472334201.db2.gz HDWXMLGEUDMEQR-UHFFFAOYSA-N -1 3 340.401 2.772 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1ccc(C)o1 ZINC000032406347 472430012 /nfs/dbraw/zinc/43/00/12/472430012.db2.gz RGEWSVXSRKTHEI-SNVBAGLBSA-N -1 3 340.357 2.544 10 5 EFBEHM Cc1sc(C(=O)[N-]c2nncn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000117736004 472476366 /nfs/dbraw/zinc/47/63/66/472476366.db2.gz GDPGKYINPUWBHP-UHFFFAOYSA-N -1 3 343.368 2.857 10 5 EFBEHM O=[N+]([O-])c1ccccc1C[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000131270546 472660096 /nfs/dbraw/zinc/66/00/96/472660096.db2.gz JRLMOFSRBSPQNH-UHFFFAOYSA-N -1 3 344.751 2.866 10 5 EFBEHM Cc1cnc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c2)o1 ZINC000109022691 473074420 /nfs/dbraw/zinc/07/44/20/473074420.db2.gz FCGHYPDOYZANEG-UHFFFAOYSA-N -1 3 340.295 2.911 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000159979150 473076801 /nfs/dbraw/zinc/07/68/01/473076801.db2.gz UYGRRGURRONXFJ-LLVKDONJSA-N -1 3 341.414 2.789 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000123314306 473127057 /nfs/dbraw/zinc/12/70/57/473127057.db2.gz PLVDJDDWTLLFLT-NEPJUHHUSA-N -1 3 338.410 2.799 10 5 EFBEHM Cc1ccc(-c2nc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)n[nH]2)cc1 ZINC000192577665 473693777 /nfs/dbraw/zinc/69/37/77/473693777.db2.gz SGLVUHQEQSGKNL-UHFFFAOYSA-N -1 3 338.327 2.644 10 5 EFBEHM COc1ccc(F)cc1CNCc1cc(OC)c([O-])cc1[N+](=O)[O-] ZINC000189203527 474324051 /nfs/dbraw/zinc/32/40/51/474324051.db2.gz HMGCFJIEZAAQON-UHFFFAOYSA-N -1 3 336.319 2.747 10 5 EFBEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000339034205 474861038 /nfs/dbraw/zinc/86/10/38/474861038.db2.gz QEYMLEVLWPXVDH-ZETCQYMHSA-N -1 3 344.286 2.640 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000352516050 475371837 /nfs/dbraw/zinc/37/18/37/475371837.db2.gz JDUKFBLMFWDOGM-UHFFFAOYSA-N -1 3 345.358 2.712 10 5 EFBEHM COc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 ZINC000345851386 475509345 /nfs/dbraw/zinc/50/93/45/475509345.db2.gz JAPODZUDFBUMNH-UHFFFAOYSA-N -1 3 342.105 2.606 10 5 EFBEHM C[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000352671141 475515335 /nfs/dbraw/zinc/51/53/35/475515335.db2.gz LFOPXWLJTUZLHR-ZDUSSCGKSA-N -1 3 343.383 2.551 10 5 EFBEHM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)(F)F ZINC000296963148 475554793 /nfs/dbraw/zinc/55/47/93/475554793.db2.gz HTLZDRDUCGHLMM-UHFFFAOYSA-N -1 3 340.323 2.756 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC(F)F)cc2F)n1 ZINC000338099804 475587422 /nfs/dbraw/zinc/58/74/22/475587422.db2.gz MRPRTBJANJSHAO-UHFFFAOYSA-N -1 3 344.249 2.804 10 5 EFBEHM Cc1ncc([N+](=O)[O-])n1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000346609650 475698517 /nfs/dbraw/zinc/69/85/17/475698517.db2.gz PBUCJAOEAPLAJM-UHFFFAOYSA-N -1 3 325.284 2.543 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3ccccc3F)s2)n1 ZINC000338503892 475961870 /nfs/dbraw/zinc/96/18/70/475961870.db2.gz ZMLJYTUMQGHMBX-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM CCc1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000358944871 476060480 /nfs/dbraw/zinc/06/04/80/476060480.db2.gz APIHORQUQVVJCR-UHFFFAOYSA-N -1 3 344.299 2.862 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000357478811 476408144 /nfs/dbraw/zinc/40/81/44/476408144.db2.gz QMLCGTXTVZYUOD-UHFFFAOYSA-N -1 3 349.368 2.527 10 5 EFBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1cc(-c2ccccc2F)on1 ZINC000448488927 477179223 /nfs/dbraw/zinc/17/92/23/477179223.db2.gz FIQINVWSFMEYMW-UHFFFAOYSA-N -1 3 342.286 2.767 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c(COC(C)C)c2)n1 ZINC000436933911 477640698 /nfs/dbraw/zinc/64/06/98/477640698.db2.gz VYSXGRFCRHSUPA-UHFFFAOYSA-N -1 3 348.359 2.694 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c1 ZINC000451033607 477797533 /nfs/dbraw/zinc/79/75/33/477797533.db2.gz UTHGDMWHJLFVSS-UHFFFAOYSA-N -1 3 340.323 2.831 10 5 EFBEHM O=C(Nc1nc2cc(F)ccc2[nH]1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000428039285 477810499 /nfs/dbraw/zinc/81/04/99/477810499.db2.gz DIUXABUFBVXNTK-UHFFFAOYSA-N -1 3 340.274 2.739 10 5 EFBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccc(F)cn2n1 ZINC000439158127 477937485 /nfs/dbraw/zinc/93/74/85/477937485.db2.gz ONFZOYCOMOVTCM-UHFFFAOYSA-N -1 3 349.709 2.991 10 5 EFBEHM Cc1cc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)ncn1 ZINC000562508752 478258967 /nfs/dbraw/zinc/25/89/67/478258967.db2.gz QXTKXAZRNJMQSS-UHFFFAOYSA-N -1 3 326.234 2.964 10 5 EFBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594797619 478544542 /nfs/dbraw/zinc/54/45/42/478544542.db2.gz WRKZNFQXHOYPQR-SDDRHHMPSA-N -1 3 347.396 2.610 10 5 EFBEHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594812999 478548660 /nfs/dbraw/zinc/54/86/60/478548660.db2.gz KXCDTPFZEZEYPU-SNVBAGLBSA-N -1 3 330.406 2.706 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)cc1C ZINC000594853541 478561459 /nfs/dbraw/zinc/56/14/59/478561459.db2.gz ZNCYZHHTNWJWFZ-GFCCVEGCSA-N -1 3 334.344 2.535 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594857696 478562759 /nfs/dbraw/zinc/56/27/59/478562759.db2.gz OEZKSOGWWAWSQL-JTQLQIEISA-N -1 3 340.373 2.678 10 5 EFBEHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000595279108 478711425 /nfs/dbraw/zinc/71/14/25/478711425.db2.gz IUBZFSJQTONQQK-DOTOQJQBSA-N -1 3 348.399 2.666 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000595359506 478747496 /nfs/dbraw/zinc/74/74/96/478747496.db2.gz OWCPFHIURKELBP-KPPDAEKUSA-N -1 3 348.371 2.929 10 5 EFBEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000595364243 478748986 /nfs/dbraw/zinc/74/89/86/478748986.db2.gz MJHDDZDNPAODRF-HNNXBMFYSA-N -1 3 349.412 2.856 10 5 EFBEHM CC1(C)CC([N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000595390006 478759649 /nfs/dbraw/zinc/75/96/49/478759649.db2.gz SDWMPXARHIFUQN-UHFFFAOYSA-N -1 3 335.385 2.610 10 5 EFBEHM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592068047 478762060 /nfs/dbraw/zinc/76/20/60/478762060.db2.gz ZYQFEMJOJNXXAA-SSDOTTSWSA-N -1 3 342.751 2.818 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592067867 478762715 /nfs/dbraw/zinc/76/27/15/478762715.db2.gz XOMDUCWYSVWOKE-LURJTMIESA-N -1 3 328.362 2.534 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccsc2)c([N+](=O)[O-])s1 ZINC000601313677 478781690 /nfs/dbraw/zinc/78/16/90/478781690.db2.gz VGFNHTIXPQMICL-MRVPVSSYSA-N -1 3 346.455 2.936 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C[C@]2(C)CCCS2)c([N+](=O)[O-])s1 ZINC000601370711 478806929 /nfs/dbraw/zinc/80/69/29/478806929.db2.gz VZMCUATVQBYVQB-NSHDSACASA-N -1 3 336.460 2.529 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c([N+](=O)[O-])s1 ZINC000601390820 478816969 /nfs/dbraw/zinc/81/69/69/478816969.db2.gz JDHODDXXJJJXDO-SECBINFHSA-N -1 3 336.460 2.529 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]Cc2cscc2C)c([N+](=O)[O-])s1 ZINC000601405521 478821707 /nfs/dbraw/zinc/82/17/07/478821707.db2.gz WHKUDAKASRTJNQ-UHFFFAOYSA-N -1 3 332.428 2.813 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1C ZINC000598623334 478931158 /nfs/dbraw/zinc/93/11/58/478931158.db2.gz WOISRQYIMOQRFW-JTQLQIEISA-N -1 3 334.344 2.535 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000598622779 478931685 /nfs/dbraw/zinc/93/16/85/478931685.db2.gz RQHKZTMTBSTXFT-SNVBAGLBSA-N -1 3 334.344 2.535 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c1[N+](=O)[O-] ZINC000598622778 478931920 /nfs/dbraw/zinc/93/19/20/478931920.db2.gz RQHKZTMTBSTXFT-JTQLQIEISA-N -1 3 334.344 2.535 10 5 EFBEHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCO1 ZINC000598683082 478968661 /nfs/dbraw/zinc/96/86/61/478968661.db2.gz VSZZFGKCPAAGPH-ABAIWWIYSA-N -1 3 344.371 2.551 10 5 EFBEHM Cc1cc(NC[C@H](C(=O)[O-])C2CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000595977502 479088050 /nfs/dbraw/zinc/08/80/50/479088050.db2.gz LGSVFMNNYXHXNU-AWEZNQCLSA-N -1 3 329.356 2.786 10 5 EFBEHM COc1cc(CN[C@@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1[O-] ZINC000598988127 479116740 /nfs/dbraw/zinc/11/67/40/479116740.db2.gz WTHOCDZVNOXJNV-ZDUSSCGKSA-N -1 3 344.367 2.711 10 5 EFBEHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000596140334 479160796 /nfs/dbraw/zinc/16/07/96/479160796.db2.gz GQJHKRMKNMERJM-QMTHXVAHSA-N -1 3 333.319 2.801 10 5 EFBEHM C[C@H](c1cccc(F)c1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596178317 479182703 /nfs/dbraw/zinc/18/27/03/479182703.db2.gz IIZGIRYTPCZNEU-GFCCVEGCSA-N -1 3 346.362 2.718 10 5 EFBEHM O=C(N=c1cc(-c2cccc(Cl)c2)[n-][nH]1)c1ccc([N+](=O)[O-])cn1 ZINC000610776490 479185213 /nfs/dbraw/zinc/18/52/13/479185213.db2.gz JJAZFNFNORSGRC-UHFFFAOYSA-N -1 3 343.730 2.708 10 5 EFBEHM O=c1[n-]ccc(N2CCC[C@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000596199048 479194290 /nfs/dbraw/zinc/19/42/90/479194290.db2.gz AUSZOEOEGNAKLF-QGZVFWFLSA-N -1 3 327.340 2.721 10 5 EFBEHM O=c1[n-]ccc(N2CCC[C@@]3(C2)OCc2ccccc23)c1[N+](=O)[O-] ZINC000596199047 479194643 /nfs/dbraw/zinc/19/46/43/479194643.db2.gz AUSZOEOEGNAKLF-KRWDZBQOSA-N -1 3 327.340 2.721 10 5 EFBEHM COc1ccc([C@@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1F ZINC000599193974 479204410 /nfs/dbraw/zinc/20/44/10/479204410.db2.gz HSRHAUGGMSCCNQ-LLVKDONJSA-N -1 3 333.319 2.837 10 5 EFBEHM CCOC(=O)C1CCC(Sc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596252684 479225105 /nfs/dbraw/zinc/22/51/05/479225105.db2.gz IVXMUPKCPVVUDX-UHFFFAOYSA-N -1 3 326.374 2.909 10 5 EFBEHM Cc1ccc(C)c2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])nc21 ZINC000611334971 479350840 /nfs/dbraw/zinc/35/08/40/479350840.db2.gz YAQZSECDRYKPHQ-UHFFFAOYSA-N -1 3 331.357 2.807 10 5 EFBEHM O=C([O-])[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000596656436 479375389 /nfs/dbraw/zinc/37/53/89/479375389.db2.gz CDVRAINKFKUZPZ-LBPRGKRZSA-N -1 3 344.314 2.787 10 5 EFBEHM Cc1ccc(CCC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593525965 479377348 /nfs/dbraw/zinc/37/73/48/479377348.db2.gz PTUFKMOVFIAHOK-UHFFFAOYSA-N -1 3 349.412 2.518 10 5 EFBEHM CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541443 479382681 /nfs/dbraw/zinc/38/26/81/479382681.db2.gz PGZRRAGOZPUJKA-UHFFFAOYSA-N -1 3 349.412 2.680 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000593542653 479383503 /nfs/dbraw/zinc/38/35/03/479383503.db2.gz JXYRLOSWFUCXBX-GFCCVEGCSA-N -1 3 349.412 2.634 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)nc1 ZINC000593558451 479387390 /nfs/dbraw/zinc/38/73/90/479387390.db2.gz YFBXPBPBKRWHQF-OAHLLOKOSA-N -1 3 347.396 2.810 10 5 EFBEHM CCCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000593563938 479389657 /nfs/dbraw/zinc/38/96/57/479389657.db2.gz UYHGJQJUGXSUPO-ZDUSSCGKSA-N -1 3 327.406 2.627 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)nc1 ZINC000593585985 479394441 /nfs/dbraw/zinc/39/44/41/479394441.db2.gz QTHKUODHYDDIDH-UHFFFAOYSA-N -1 3 347.396 2.736 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000588144834 479398653 /nfs/dbraw/zinc/39/86/53/479398653.db2.gz WASFRUIDTKOENP-LBPRGKRZSA-N -1 3 334.344 2.678 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCNC[C@H]1c1cccc(F)c1 ZINC000593727443 479435882 /nfs/dbraw/zinc/43/58/82/479435882.db2.gz JQCIUHWYTFQQTA-KRWDZBQOSA-N -1 3 331.347 2.586 10 5 EFBEHM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2cc(F)ccc21 ZINC000593792594 479463120 /nfs/dbraw/zinc/46/31/20/479463120.db2.gz UHGGLCPRFALWPZ-UHFFFAOYSA-N -1 3 331.303 2.773 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000614771465 479506754 /nfs/dbraw/zinc/50/67/54/479506754.db2.gz KUHRHLIFKVNZPO-CQSZACIVSA-N -1 3 342.399 2.823 10 5 EFBEHM Cc1c([N-]C(=O)c2cocn2)cc(Br)cc1[N+](=O)[O-] ZINC000619534780 479820933 /nfs/dbraw/zinc/82/09/33/479820933.db2.gz KUXBTRDSXUGAIS-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM C[C@H](C(=O)[O-])N(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000263201649 526182244 /nfs/dbraw/zinc/18/22/44/526182244.db2.gz XKUPFCROJJHBJB-MRVPVSSYSA-N -1 3 343.177 2.795 10 5 EFBEHM CC(C)Oc1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000412261357 534950987 /nfs/dbraw/zinc/95/09/87/534950987.db2.gz WCTZRHCQZWKNGC-UHFFFAOYSA-N -1 3 347.375 2.981 10 5 EFBEHM CC(C)c1ccc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001144502662 1279745573 /nfs/dbraw/zinc/74/55/73/1279745573.db2.gz NDDBRIJCWAYUPC-GFCCVEGCSA-N -1 3 344.371 2.777 10 5 EFBEHM C[C@]1(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000845974971 1279952303 /nfs/dbraw/zinc/95/23/03/1279952303.db2.gz NRLZDRGGWVIZOA-VHSXEESVSA-N -1 3 342.801 2.639 10 5 EFBEHM CCOC(=O)c1ncc(NC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000793959479 1279958663 /nfs/dbraw/zinc/95/86/63/1279958663.db2.gz KIQHVZRIWIFCQK-CSKARUKUSA-N -1 3 344.327 2.537 10 5 EFBEHM CCOC(=O)c1nc(NC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000793959479 1279958666 /nfs/dbraw/zinc/95/86/66/1279958666.db2.gz KIQHVZRIWIFCQK-CSKARUKUSA-N -1 3 344.327 2.537 10 5 EFBEHM CC(C)Nc1cc(F)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001147343826 1281148217 /nfs/dbraw/zinc/14/82/17/1281148217.db2.gz ZHQYIGBGFXNKEY-UHFFFAOYSA-N -1 3 334.307 2.907 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813547530 1285990387 /nfs/dbraw/zinc/99/03/87/1285990387.db2.gz SOUJTEPMOUJODQ-UHFFFAOYSA-N -1 3 342.138 2.932 10 5 EFBEHM CSc1ccc([O-])c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC001136669343 1289205879 /nfs/dbraw/zinc/20/58/79/1289205879.db2.gz ZSMYPETVBVNGOY-UHFFFAOYSA-N -1 3 348.380 2.831 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]1C ZINC000903948268 1313471908 /nfs/dbraw/zinc/47/19/08/1313471908.db2.gz CPKHSDAHSDXHFI-MEQWQQMJSA-N -1 3 336.388 2.923 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(C)(F)F ZINC000867786780 1303955725 /nfs/dbraw/zinc/95/57/25/1303955725.db2.gz NAZAYUYDVDUTOX-UHFFFAOYSA-N -1 3 328.362 2.616 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C1 ZINC000901965425 1311252490 /nfs/dbraw/zinc/25/24/90/1311252490.db2.gz BHERYAQSSAYGQP-RYUDHWBXSA-N -1 3 346.305 2.907 10 5 EFBEHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001162885281 1312197402 /nfs/dbraw/zinc/19/74/02/1312197402.db2.gz KLEWFKXDXJFSEK-UHFFFAOYSA-N -1 3 332.316 2.526 10 5 EFBEHM CC(C)(C)OC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001162885281 1312197405 /nfs/dbraw/zinc/19/74/05/1312197405.db2.gz KLEWFKXDXJFSEK-UHFFFAOYSA-N -1 3 332.316 2.526 10 5 EFBEHM Cc1ccc(N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001164131174 1312453964 /nfs/dbraw/zinc/45/39/64/1312453964.db2.gz JQLVGUYZPIRZRG-CYBMUJFWSA-N -1 3 343.387 2.788 10 5 EFBEHM C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001307218845 1323021859 /nfs/dbraw/zinc/02/18/59/1323021859.db2.gz CYAARURDIORQCQ-LURJTMIESA-N -1 3 341.253 2.553 10 5 EFBEHM C[C@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1nc(C(F)(F)F)n[n-]1 ZINC001307219561 1323052887 /nfs/dbraw/zinc/05/28/87/1323052887.db2.gz PKRLCWXCQKJABG-YFKPBYRVSA-N -1 3 349.244 2.536 10 5 EFBEHM CC(=O)CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309625080 1324878255 /nfs/dbraw/zinc/87/82/55/1324878255.db2.gz BQHMIOBLRKWCGZ-UHFFFAOYSA-N -1 3 346.380 2.552 10 5 EFBEHM O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ncccc1F ZINC001351606921 1333255448 /nfs/dbraw/zinc/25/54/48/1333255448.db2.gz WXLAZLCTJVNBRZ-UHFFFAOYSA-N -1 3 333.275 2.543 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001456336903 1394670278 /nfs/dbraw/zinc/67/02/78/1394670278.db2.gz SHWTVZPXAIZVNN-UHFFFAOYSA-N -1 3 346.343 2.752 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001456336903 1394670283 /nfs/dbraw/zinc/67/02/83/1394670283.db2.gz SHWTVZPXAIZVNN-UHFFFAOYSA-N -1 3 346.343 2.752 10 5 EFBEHM O=c1cc(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)nc(C2CC2)[n-]1 ZINC001459019890 1395681367 /nfs/dbraw/zinc/68/13/67/1395681367.db2.gz WYWNWQRZRJUIHK-UHFFFAOYSA-N -1 3 337.339 2.880 10 5 EFBEHM CN(C)C(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC001461890812 1396410989 /nfs/dbraw/zinc/41/09/89/1396410989.db2.gz UVBSYHZKJPUMGQ-UHFFFAOYSA-N -1 3 337.332 2.750 10 5 EFBEHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccccn2)no1 ZINC001469377308 1397027531 /nfs/dbraw/zinc/02/75/31/1397027531.db2.gz KNOSZUUNTNCQLT-UHFFFAOYSA-N -1 3 339.311 2.939 10 5 EFBEHM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001556081667 1415052151 /nfs/dbraw/zinc/05/21/51/1415052151.db2.gz HACAUZNZSLNLKT-UHFFFAOYSA-N -1 3 342.286 2.878 10 5 EFBEHM CC(C)Nc1cccc(F)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557255456 1415115848 /nfs/dbraw/zinc/11/58/48/1415115848.db2.gz VLZTYLMTTJLBKN-UHFFFAOYSA-N -1 3 334.307 2.907 10 5 EFBEHM CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884339 719677916 /nfs/dbraw/zinc/67/79/16/719677916.db2.gz FORFMUHMFNNASQ-DTWKUNHWSA-N -1 3 336.460 2.527 10 5 EFBEHM O=C([N-]c1ncc(-c2cnccn2)s1)c1ccc([N+](=O)[O-])s1 ZINC001584225284 1092129332 /nfs/dbraw/zinc/12/93/32/1092129332.db2.gz FPOCJTWKMPFAHE-UHFFFAOYSA-N -1 3 333.354 2.822 10 5 EFBEHM Cc1cc(Cl)c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC001584911186 1092323417 /nfs/dbraw/zinc/32/34/17/1092323417.db2.gz OXTLBSPRWHPABA-UHFFFAOYSA-N -1 3 349.656 2.946 10 5 EFBEHM Cc1cc(Cl)c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001584911186 1092323431 /nfs/dbraw/zinc/32/34/31/1092323431.db2.gz OXTLBSPRWHPABA-UHFFFAOYSA-N -1 3 349.656 2.946 10 5 EFBEHM Cc1nc2ccc(Cl)cn2c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001585934251 1092623707 /nfs/dbraw/zinc/62/37/07/1092623707.db2.gz SNHYQICWDSNFEX-UHFFFAOYSA-N -1 3 347.718 2.557 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(OCCC(=O)[N-]OCc2cccc(C)n2)c1 ZINC001586074405 1092673063 /nfs/dbraw/zinc/67/30/63/1092673063.db2.gz SVAXFWQHSIJJNQ-UHFFFAOYSA-N -1 3 345.355 2.624 10 5 EFBEHM O=C(Nc1cccc([N+](=O)[O-])c1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001587128497 1092784805 /nfs/dbraw/zinc/78/48/05/1092784805.db2.gz MONCJMLZRNZJFO-UHFFFAOYSA-N -1 3 345.261 2.967 10 5 EFBEHM COc1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(C(F)(F)F)n1 ZINC001595463501 1094471259 /nfs/dbraw/zinc/47/12/59/1094471259.db2.gz NCKVSLPURRXOTN-UHFFFAOYSA-N -1 3 331.206 2.863 10 5 EFBEHM C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC001595525178 1094475354 /nfs/dbraw/zinc/47/53/54/1094475354.db2.gz SGNOKLLKLZXPOC-SNVBAGLBSA-N -1 3 338.323 2.735 10 5 EFBEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1cc(-c2ccccc2)no1 ZINC001597918633 1094640326 /nfs/dbraw/zinc/64/03/26/1094640326.db2.gz BEVPQKCCHABZDL-UHFFFAOYSA-N -1 3 340.295 2.906 10 5 EFBEHM CC(=O)c1ccc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC001612844459 1099080778 /nfs/dbraw/zinc/08/07/78/1099080778.db2.gz LAZLTDORBWPPOX-UHFFFAOYSA-N -1 3 340.339 2.691 10 5 EFBEHM CCOc1cc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)ccc1[N+](=O)[O-] ZINC001612849834 1099081608 /nfs/dbraw/zinc/08/16/08/1099081608.db2.gz ODNXGIVNAXLSMI-UHFFFAOYSA-N -1 3 342.355 2.887 10 5 EFBEHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1ccccc1[N+](=O)[O-] ZINC001626359817 1099865573 /nfs/dbraw/zinc/86/55/73/1099865573.db2.gz ZEHVVHSUSUBMMI-UHFFFAOYSA-N -1 3 336.250 2.912 10 5 EFBEHM CC(C)N1CCC[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001632478594 1100477249 /nfs/dbraw/zinc/47/72/49/1100477249.db2.gz ZYSFQISBQGKCLY-LLVKDONJSA-N -1 3 341.795 2.556 10 5 EFBEHM CCc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1[N+](=O)[O-] ZINC001636004579 1100692893 /nfs/dbraw/zinc/69/28/93/1100692893.db2.gz HQCHMJUFWSXDNQ-UHFFFAOYSA-N -1 3 346.343 2.698 10 5 EFBEHM CCc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1[N+](=O)[O-] ZINC001636004579 1100692897 /nfs/dbraw/zinc/69/28/97/1100692897.db2.gz HQCHMJUFWSXDNQ-UHFFFAOYSA-N -1 3 346.343 2.698 10 5 EFBEHM CC(=O)c1cccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c1[O-] ZINC001638114133 1100833927 /nfs/dbraw/zinc/83/39/27/1100833927.db2.gz XRQSPTNFKLSUOM-UHFFFAOYSA-N -1 3 332.287 2.823 10 5 EFBEHM O=c1cc([C@H]2CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)[n-][nH]1 ZINC001640108827 1101014424 /nfs/dbraw/zinc/01/44/24/1101014424.db2.gz BKIYSBBKSZNFGF-NSHDSACASA-N -1 3 325.328 2.566 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC001641748135 1101161182 /nfs/dbraw/zinc/16/11/82/1101161182.db2.gz PAUYWIIYDNRUKI-UHFFFAOYSA-N -1 3 342.355 2.596 10 5 EFBEHM O=c1[n-]ccc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c1[N+](=O)[O-] ZINC001642525470 1101219993 /nfs/dbraw/zinc/21/99/93/1101219993.db2.gz RTIDEQBDMIIQOD-LLVKDONJSA-N -1 3 327.699 2.633 10 5 EFBEHM COc1cccc(-c2cc(CNc3cc[n-]c(=O)c3[N+](=O)[O-])on2)c1 ZINC001651455038 1101332952 /nfs/dbraw/zinc/33/29/52/1101332952.db2.gz QTVYUGKCPOENEJ-UHFFFAOYSA-N -1 3 342.311 2.971 10 5 EFBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001651988868 1101414709 /nfs/dbraw/zinc/41/47/09/1101414709.db2.gz FZOPOABWEPWXRS-ZJUUUORDSA-N -1 3 348.334 2.910 10 5 EFBEHM CCC(=O)N1CCc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc21 ZINC001652273407 1101467389 /nfs/dbraw/zinc/46/73/89/1101467389.db2.gz RHLLZKUSDLEKBP-UHFFFAOYSA-N -1 3 328.328 2.738 10 5 EFBEHM C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001655892861 1101906590 /nfs/dbraw/zinc/90/65/90/1101906590.db2.gz NJNHCFSQZGJQLM-SCSAIBSYSA-N -1 3 347.282 2.614 10 5 EFBEHM CCNc1ccc([N-]c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cn1 ZINC001655957910 1101918137 /nfs/dbraw/zinc/91/81/37/1101918137.db2.gz DFPNKCOXAFRPRO-UHFFFAOYSA-N -1 3 342.402 2.630 10 5 EFBEHM COc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc(Cl)c1OC ZINC001655961621 1101918477 /nfs/dbraw/zinc/91/84/77/1101918477.db2.gz NRGJMSANNUIZIJ-UHFFFAOYSA-N -1 3 339.735 2.978 10 5 EFBEHM NN=c1nc[n-]c(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-] ZINC000040650594 213363633 /nfs/dbraw/zinc/36/36/33/213363633.db2.gz NTYBNIJWJXTVJD-UHFFFAOYSA-N -1 3 336.355 2.872 10 5 EFBEHM COCCNc1ncnc([N-]c2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040626296 213360757 /nfs/dbraw/zinc/36/07/57/213360757.db2.gz OTZOLALFGQZJDY-UHFFFAOYSA-N -1 3 340.343 2.735 10 5 EFBEHM CCN(CCO)c1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-] ZINC000040614094 213357518 /nfs/dbraw/zinc/35/75/18/213357518.db2.gz QYRYULYOYBBRGO-UHFFFAOYSA-N -1 3 337.767 2.600 10 5 EFBEHM CN(Cc1ccccc1)c1[n-]cnc(=NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040573021 213352296 /nfs/dbraw/zinc/35/22/96/213352296.db2.gz DAJFLUYBXBUQTC-UHFFFAOYSA-N -1 3 330.392 2.736 10 5 EFBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(C)ccc2[N+](=O)[O-])s1 ZINC000444465585 250302719 /nfs/dbraw/zinc/30/27/19/250302719.db2.gz HQUBESBHOAFWRM-UHFFFAOYSA-N -1 3 344.356 2.706 10 5 EFBEHM Cc1cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])nc2c(C)c1 ZINC000344611464 142048850 /nfs/dbraw/zinc/04/88/50/142048850.db2.gz XGAHSZMYRJLMKG-UHFFFAOYSA-N -1 3 331.357 2.807 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(CC(F)(F)F)cs2)n1 ZINC000341286413 145026605 /nfs/dbraw/zinc/02/66/05/145026605.db2.gz SDBSYHUFMXBDNM-UHFFFAOYSA-N -1 3 349.294 2.625 10 5 EFBEHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000342488311 145136968 /nfs/dbraw/zinc/13/69/68/145136968.db2.gz HQARQILBRMDHPU-NSHDSACASA-N -1 3 337.335 2.927 10 5 EFBEHM Cc1sccc1CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000348815622 146007255 /nfs/dbraw/zinc/00/72/55/146007255.db2.gz ZCMQZKSZMSVCDO-UHFFFAOYSA-N -1 3 342.380 2.958 10 5 EFBEHM CN(C)CCN(Cc1ccccc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000281037017 273394083 /nfs/dbraw/zinc/39/40/83/273394083.db2.gz VWYUQTIECGWBQC-UHFFFAOYSA-N -1 3 343.383 2.504 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000172609315 310762239 /nfs/dbraw/zinc/76/22/39/310762239.db2.gz URIOBFFHCSQOLJ-LLVKDONJSA-N -1 3 341.414 2.789 10 5 EFBEHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000303799868 311210440 /nfs/dbraw/zinc/21/04/40/311210440.db2.gz LLOCCUZZCMZVRG-ZDUSSCGKSA-N -1 3 334.397 2.985 10 5 EFBEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000310861644 311229962 /nfs/dbraw/zinc/22/99/62/311229962.db2.gz CSXSHPOCHWSJGY-ZDUSSCGKSA-N -1 3 343.383 2.551 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C(C)C)C(C)C ZINC000322534670 311239393 /nfs/dbraw/zinc/23/93/93/311239393.db2.gz RAWQVWGCXBFBIB-UHFFFAOYSA-N -1 3 344.433 2.810 10 5 EFBEHM Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000527493734 316385011 /nfs/dbraw/zinc/38/50/11/316385011.db2.gz XKGNODUAAQAEJY-UHFFFAOYSA-N -1 3 345.233 2.790 10 5 EFBEHM CCOC(=O)c1c(C)csc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532144194 317361729 /nfs/dbraw/zinc/36/17/29/317361729.db2.gz GLTXRDRVPRLMDH-UHFFFAOYSA-N -1 3 335.341 2.789 10 5 EFBEHM CC1(C)Cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2C(=O)C1 ZINC000532388051 317393850 /nfs/dbraw/zinc/39/38/50/317393850.db2.gz SZUMNBXTTUFDDG-UHFFFAOYSA-N -1 3 346.368 2.854 10 5 EFBEHM CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C(=O)[O-])CCCCC1 ZINC000569141120 319352447 /nfs/dbraw/zinc/35/24/47/319352447.db2.gz SLNIOGWSEVWKIC-UHFFFAOYSA-N -1 3 332.360 2.690 10 5 EFBEHM CC1CCC(N2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)CC1 ZINC000580837049 324248407 /nfs/dbraw/zinc/24/84/07/324248407.db2.gz OHIASMAHVDKMMZ-UHFFFAOYSA-N -1 3 347.415 2.994 10 5 EFBEHM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111367859 473209592 /nfs/dbraw/zinc/20/95/92/473209592.db2.gz FZJUGSPJVSPYHS-XPTSAGLGSA-N -1 3 338.410 2.868 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1C[C@H]1c1ccccc1 ZINC000111358502 473210084 /nfs/dbraw/zinc/21/00/84/473210084.db2.gz UQEYUZDAPIEDDY-KGLIPLIRSA-N -1 3 332.381 2.677 10 5 EFBEHM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111368196 473210549 /nfs/dbraw/zinc/21/05/49/473210549.db2.gz KQWUKKIJWJCSJC-ZBEGNZNMSA-N -1 3 332.381 2.807 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000592108149 478780249 /nfs/dbraw/zinc/78/02/49/478780249.db2.gz MBQZSEPHEFYZIC-LPEHRKFASA-N -1 3 330.793 2.715 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000067951012 472114050 /nfs/dbraw/zinc/11/40/50/472114050.db2.gz UNGAXOUIYLLWBR-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000116377816 472396874 /nfs/dbraw/zinc/39/68/74/472396874.db2.gz GYUKHVKGVDJADV-UHFFFAOYSA-N -1 3 347.443 2.635 10 5 EFBEHM COc1cc(CN[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000097035156 472418245 /nfs/dbraw/zinc/41/82/45/472418245.db2.gz KDXAVLPGVJZXPN-AWEZNQCLSA-N -1 3 343.383 2.678 10 5 EFBEHM COc1cc(CN[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000097035155 472418890 /nfs/dbraw/zinc/41/88/90/472418890.db2.gz KDXAVLPGVJZXPN-CQSZACIVSA-N -1 3 343.383 2.678 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)o1 ZINC000032406346 472430412 /nfs/dbraw/zinc/43/04/12/472430412.db2.gz RGEWSVXSRKTHEI-JTQLQIEISA-N -1 3 340.357 2.544 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000032895788 472476860 /nfs/dbraw/zinc/47/68/60/472476860.db2.gz BOIBTYCSVOMCIF-AWEZNQCLSA-N -1 3 348.380 2.569 10 5 EFBEHM Cc1ccc(-c2nc([N-]C(=O)c3cc([N+](=O)[O-])c(C)s3)n[nH]2)o1 ZINC000089656120 472480087 /nfs/dbraw/zinc/48/00/87/472480087.db2.gz KZEJDMKPFPFANE-UHFFFAOYSA-N -1 3 333.329 2.904 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)cc1[N+](=O)[O-] ZINC000613469336 480009209 /nfs/dbraw/zinc/00/92/09/480009209.db2.gz AOTXGTHWYDIAGA-UHFFFAOYSA-N -1 3 336.778 2.690 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000123314731 473126834 /nfs/dbraw/zinc/12/68/34/473126834.db2.gz PLVDJDDWTLLFLT-RYUDHWBXSA-N -1 3 338.410 2.799 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c([N+](=O)[O-])c1 ZINC000171837168 473467720 /nfs/dbraw/zinc/46/77/20/473467720.db2.gz GHGFFVOYTIIAAL-VMPITWQZSA-N -1 3 348.380 2.595 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000171837103 473467896 /nfs/dbraw/zinc/46/78/96/473467896.db2.gz KXLDVUZYIODNHX-VMPITWQZSA-N -1 3 348.380 2.595 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000151581258 473474952 /nfs/dbraw/zinc/47/49/52/473474952.db2.gz KVMVQEDAPIXPFR-UHFFFAOYSA-N -1 3 330.406 2.708 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC(C)C)cc2F)n1 ZINC000191584087 473557428 /nfs/dbraw/zinc/55/74/28/473557428.db2.gz JNUQJFYTLAYJSM-UHFFFAOYSA-N -1 3 336.323 2.990 10 5 EFBEHM Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C)[nH]1 ZINC000608789350 480094180 /nfs/dbraw/zinc/09/41/80/480094180.db2.gz RTBPBLORXUZINO-UHFFFAOYSA-N -1 3 325.328 2.604 10 5 EFBEHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000339034204 474861120 /nfs/dbraw/zinc/86/11/20/474861120.db2.gz QEYMLEVLWPXVDH-SSDOTTSWSA-N -1 3 344.286 2.640 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000345646754 475333948 /nfs/dbraw/zinc/33/39/48/475333948.db2.gz WXNSZTJXGYNMJP-LLVKDONJSA-N -1 3 340.323 2.768 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000352516314 475371792 /nfs/dbraw/zinc/37/17/92/475371792.db2.gz LCZKRTVEBRTMRX-UHFFFAOYSA-N -1 3 345.358 2.712 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000352517286 475372160 /nfs/dbraw/zinc/37/21/60/475372160.db2.gz OSIOJJYHOLHORP-UHFFFAOYSA-N -1 3 341.245 2.644 10 5 EFBEHM CN(C)CCc1ccccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355006836 475592733 /nfs/dbraw/zinc/59/27/33/475592733.db2.gz DJUHZMFYWMRKDS-UHFFFAOYSA-N -1 3 329.356 2.657 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(C)(F)F)cc1C ZINC000297193134 475649367 /nfs/dbraw/zinc/64/93/67/475649367.db2.gz UJFKMLNFHKMVHY-UHFFFAOYSA-N -1 3 336.360 2.925 10 5 EFBEHM O=C(Nc1ccccc1[O-])C1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000340055560 475722620 /nfs/dbraw/zinc/72/26/20/475722620.db2.gz SQTLDULVHUVIFM-UHFFFAOYSA-N -1 3 342.355 2.551 10 5 EFBEHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cc(F)ccc1[O-] ZINC000362961151 476505281 /nfs/dbraw/zinc/50/52/81/476505281.db2.gz UYAUWNYRXQQVJG-UHFFFAOYSA-N -1 3 326.230 2.899 10 5 EFBEHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000431602533 477060707 /nfs/dbraw/zinc/06/07/07/477060707.db2.gz HIDOTTZNSQFIMH-HAQNSBGRSA-N -1 3 342.417 2.851 10 5 EFBEHM COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1[O-] ZINC000436803460 477594379 /nfs/dbraw/zinc/59/43/79/477594379.db2.gz KPCCLTYEOAVYFV-UHFFFAOYSA-N -1 3 330.296 2.648 10 5 EFBEHM CCc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c([O-])c1 ZINC000436866999 477619021 /nfs/dbraw/zinc/61/90/21/477619021.db2.gz BPWSYSLOXSXQLB-UHFFFAOYSA-N -1 3 326.312 2.899 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000451033632 477798450 /nfs/dbraw/zinc/79/84/50/477798450.db2.gz UZLLDEMNHJAJOD-UHFFFAOYSA-N -1 3 326.296 2.522 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cnc(-c3ccccc3)s2)n1 ZINC000534348974 478149540 /nfs/dbraw/zinc/14/95/40/478149540.db2.gz BZAVUNXEDHOFMY-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM COCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)co1 ZINC000590872387 478378096 /nfs/dbraw/zinc/37/80/96/478378096.db2.gz MESIRLKFIZENAS-UHFFFAOYSA-N -1 3 334.332 2.802 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCCCO1 ZINC000594487168 478407399 /nfs/dbraw/zinc/40/73/99/478407399.db2.gz LECLAMMZMQAOEV-ZYHUDNBSSA-N -1 3 348.446 2.591 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)c1C ZINC000594797366 478544854 /nfs/dbraw/zinc/54/48/54/478544854.db2.gz UYLXWKKRVRSWOG-GFCCVEGCSA-N -1 3 349.412 2.689 10 5 EFBEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000594812985 478548546 /nfs/dbraw/zinc/54/85/46/478548546.db2.gz KJCFUYMAHDMSQO-JTQLQIEISA-N -1 3 330.406 2.706 10 5 EFBEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594814829 478549905 /nfs/dbraw/zinc/54/99/05/478549905.db2.gz ZSIMIADRIUJTNC-VIFPVBQESA-N -1 3 348.396 2.846 10 5 EFBEHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000594814828 478550036 /nfs/dbraw/zinc/55/00/36/478550036.db2.gz ZSIMIADRIUJTNC-SECBINFHSA-N -1 3 348.396 2.846 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CC2(F)F)c1C ZINC000594851253 478559959 /nfs/dbraw/zinc/55/99/59/478559959.db2.gz IHWVEUAVTDNYBF-GFCCVEGCSA-N -1 3 334.344 2.535 10 5 EFBEHM CC[C@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594860364 478564341 /nfs/dbraw/zinc/56/43/41/478564341.db2.gz CFFKDPGVDSKPJB-AWEZNQCLSA-N -1 3 346.380 2.600 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594870655 478569162 /nfs/dbraw/zinc/56/91/62/478569162.db2.gz NFONGPJJPJHLQO-UHFFFAOYSA-N -1 3 346.355 2.841 10 5 EFBEHM Cn1cc(C[C@@H]2CCC[C@H]2NCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000594979367 478615126 /nfs/dbraw/zinc/61/51/26/478615126.db2.gz JXYALAIYCPNSDA-XJKSGUPXSA-N -1 3 330.388 2.535 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)c1[N+](=O)[O-] ZINC000592066524 478762131 /nfs/dbraw/zinc/76/21/31/478762131.db2.gz BBGULNKWBKPHRY-QMMMGPOBSA-N -1 3 336.360 2.781 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c([N+](=O)[O-])s1 ZINC000601390821 478816622 /nfs/dbraw/zinc/81/66/22/478816622.db2.gz JDHODDXXJJJXDO-VIFPVBQESA-N -1 3 336.460 2.529 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601392065 478816814 /nfs/dbraw/zinc/81/68/14/478816814.db2.gz DQVYIFKZLUYMOT-NSHDSACASA-N -1 3 348.446 2.592 10 5 EFBEHM Cc1cc(N2CCN(C3CC3)C[C@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976707 479113427 /nfs/dbraw/zinc/11/34/27/479113427.db2.gz JZHODKOWJTZBNY-NSHDSACASA-N -1 3 333.388 2.522 10 5 EFBEHM Cc1cc(N2CCN(C3CC3)C[C@@H](C)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976706 479113617 /nfs/dbraw/zinc/11/36/17/479113617.db2.gz JZHODKOWJTZBNY-LLVKDONJSA-N -1 3 333.388 2.522 10 5 EFBEHM CCc1cc([N-]C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000610964540 479245372 /nfs/dbraw/zinc/24/53/72/479245372.db2.gz UISBZDCNMMPATR-UHFFFAOYSA-N -1 3 329.234 2.838 10 5 EFBEHM CC(C)n1cnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000593231714 479252691 /nfs/dbraw/zinc/25/26/91/479252691.db2.gz JQAVWIZVYOGRKC-UHFFFAOYSA-N -1 3 341.274 2.621 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000599446842 479300383 /nfs/dbraw/zinc/30/03/83/479300383.db2.gz ZCKDPSIABOZPIH-GFCCVEGCSA-N -1 3 340.401 2.628 10 5 EFBEHM CC(C)(C)OC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC000596583345 479347898 /nfs/dbraw/zinc/34/78/98/479347898.db2.gz KZPOIZXGNLUXNQ-NSHDSACASA-N -1 3 337.376 2.865 10 5 EFBEHM Cc1cc(C)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144328 479398009 /nfs/dbraw/zinc/39/80/09/479398009.db2.gz FAXOCAZIFBQMER-GFCCVEGCSA-N -1 3 334.344 2.678 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000588144833 479398608 /nfs/dbraw/zinc/39/86/08/479398608.db2.gz WASFRUIDTKOENP-GFCCVEGCSA-N -1 3 334.344 2.678 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC000588144669 479398628 /nfs/dbraw/zinc/39/86/28/479398628.db2.gz RBLRQABVCKBQSD-NSHDSACASA-N -1 3 334.344 2.678 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cccnc2Oc2ccccc2)n1 ZINC000611538168 479408917 /nfs/dbraw/zinc/40/89/17/479408917.db2.gz QNXSVWYBDBNMHU-UHFFFAOYSA-N -1 3 339.311 2.768 10 5 EFBEHM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631570 479416355 /nfs/dbraw/zinc/41/63/55/479416355.db2.gz ONMMXWCLXCIXKJ-AAEUAGOBSA-N -1 3 342.417 2.851 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)cc1C ZINC000604275315 479494102 /nfs/dbraw/zinc/49/41/02/479494102.db2.gz MTYBTCMSUXJDOI-UHFFFAOYSA-N -1 3 344.776 2.937 10 5 EFBEHM CCOC(=O)c1cc(C(=O)[N-]c2c(C)onc2CC)cc([N+](=O)[O-])c1 ZINC000121042003 521428323 /nfs/dbraw/zinc/42/83/23/521428323.db2.gz JMVGPJKGXVBCAV-UHFFFAOYSA-N -1 3 347.327 2.883 10 5 EFBEHM Cc1cnc(OCc2noc(-c3ccccc3[O-])n2)c([N+](=O)[O-])c1 ZINC000158004503 526098592 /nfs/dbraw/zinc/09/85/92/526098592.db2.gz JECQTSIYHRGFHD-UHFFFAOYSA-N -1 3 328.284 2.633 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000119689731 527419957 /nfs/dbraw/zinc/41/99/57/527419957.db2.gz ICOYLYZYFRXGCC-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[n-]n1 ZINC000119689731 527419964 /nfs/dbraw/zinc/41/99/64/527419964.db2.gz ICOYLYZYFRXGCC-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM COc1cc2c(cc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F)OCO2 ZINC000758847564 575878632 /nfs/dbraw/zinc/87/86/32/575878632.db2.gz HECBHNMWHPVRGO-UHFFFAOYSA-N -1 3 334.259 2.724 10 5 EFBEHM COc1cc(CNCc2nccc3c2CCCC3)c([N+](=O)[O-])cc1[O-] ZINC000922467150 1266094560 /nfs/dbraw/zinc/09/45/60/1266094560.db2.gz QQXVLXXYKPUTEO-UHFFFAOYSA-N -1 3 343.383 2.873 10 5 EFBEHM COc1cc(CN[C@H]2c3ccccc3OC[C@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000922524261 1266199059 /nfs/dbraw/zinc/19/90/59/1266199059.db2.gz CQALJNFRXPVCBW-PXAZEXFGSA-N -1 3 348.330 2.870 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCS[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000921711876 1261253846 /nfs/dbraw/zinc/25/38/46/1261253846.db2.gz OIGXCNZLYDKXHK-ZJUUUORDSA-N -1 3 348.421 2.605 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCS[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000921716578 1261265494 /nfs/dbraw/zinc/26/54/94/1261265494.db2.gz XVLBNDWKLJOBBL-APPZFPTMSA-N -1 3 336.460 2.527 10 5 EFBEHM CCc1ccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c([O-])c1 ZINC001136959744 1278349744 /nfs/dbraw/zinc/34/97/44/1278349744.db2.gz CDHIILQFHTXJPT-UHFFFAOYSA-N -1 3 344.323 2.902 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000825030007 1278389079 /nfs/dbraw/zinc/38/90/79/1278389079.db2.gz BJXUWPMWRVQKKR-CJNGLKHVSA-N -1 3 348.399 2.808 10 5 EFBEHM COc1c(F)cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(OC)c1F ZINC001129140399 1273970285 /nfs/dbraw/zinc/97/02/85/1273970285.db2.gz DHOIWRGEBQLQRP-UHFFFAOYSA-N -1 3 328.227 2.736 10 5 EFBEHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000790004241 1277163268 /nfs/dbraw/zinc/16/32/68/1277163268.db2.gz CWLXAGQUMLFPGG-UHFFFAOYSA-N -1 3 339.348 2.601 10 5 EFBEHM CCc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791221772 1277989447 /nfs/dbraw/zinc/98/94/47/1277989447.db2.gz ZNKWVXVHOSHTNN-UHFFFAOYSA-N -1 3 336.323 2.911 10 5 EFBEHM COCc1ccccc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001129533363 1280236127 /nfs/dbraw/zinc/23/61/27/1280236127.db2.gz PIOMWLMYSXEBBH-UHFFFAOYSA-N -1 3 327.296 2.837 10 5 EFBEHM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(F)F ZINC000795242461 1300395612 /nfs/dbraw/zinc/39/56/12/1300395612.db2.gz VAQFXOFUQONZFG-UHFFFAOYSA-N -1 3 342.751 2.879 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001164131663 1312453793 /nfs/dbraw/zinc/45/37/93/1312453793.db2.gz VXUXUPJFMCDIJM-NSHDSACASA-N -1 3 347.350 2.619 10 5 EFBEHM O=C(Nc1ccc([O-])cc1F)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001295478529 1322708385 /nfs/dbraw/zinc/70/83/85/1322708385.db2.gz FZJAEWCCEROORF-UHFFFAOYSA-N -1 3 342.286 2.878 10 5 EFBEHM C[C@@H](Nc1cc(F)c([N+](=O)[O-])cc1CO)c1nc(C(F)(F)F)n[n-]1 ZINC001307219555 1323052519 /nfs/dbraw/zinc/05/25/19/1323052519.db2.gz PKRLCWXCQKJABG-RXMQYKEDSA-N -1 3 349.244 2.536 10 5 EFBEHM CSc1ccc([O-])c(C(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC001297272691 1323145011 /nfs/dbraw/zinc/14/50/11/1323145011.db2.gz HNESIHKCMQRCGS-UHFFFAOYSA-N -1 3 332.381 2.995 10 5 EFBEHM O=c1[n-]nc(C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)o1 ZINC001307118629 1324743016 /nfs/dbraw/zinc/74/30/16/1324743016.db2.gz QUZPGOHKWSXOCZ-UHFFFAOYSA-N -1 3 341.327 2.616 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1C ZINC001327088919 1330411812 /nfs/dbraw/zinc/41/18/12/1330411812.db2.gz GJWIVUOPQKPRLR-JGPRNRPPSA-N -1 3 346.355 2.534 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC(C)(C)F)c1 ZINC000849456610 1335621671 /nfs/dbraw/zinc/62/16/71/1335621671.db2.gz AXMQZGLFRUCPEA-UHFFFAOYSA-N -1 3 338.788 2.973 10 5 EFBEHM O=C([N-]c1ccncc1F)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001458480930 1395478964 /nfs/dbraw/zinc/47/89/64/1395478964.db2.gz TULWMUCVKORZMS-UHFFFAOYSA-N -1 3 329.209 2.822 10 5 EFBEHM O=C([N-]c1cc(-c2nc[nH]n2)ccc1F)c1cc(F)ccc1[N+](=O)[O-] ZINC001467592591 1396873423 /nfs/dbraw/zinc/87/34/23/1396873423.db2.gz PCJUEBMYEAIEKF-UHFFFAOYSA-N -1 3 345.265 2.910 10 5 EFBEHM CCOc1ccc(Cl)c(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001468243358 1396937192 /nfs/dbraw/zinc/93/71/92/1396937192.db2.gz JIVKMRMLDVNLKJ-UHFFFAOYSA-N -1 3 337.719 3.000 10 5 EFBEHM CN(C)c1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC001558464601 1415182022 /nfs/dbraw/zinc/18/20/22/1415182022.db2.gz JPPPBFVIBLRHJA-UHFFFAOYSA-N -1 3 336.735 2.667 10 5 EFBEHM O=c1[n-]ccc(NCCOc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC001559138349 1415226673 /nfs/dbraw/zinc/22/66/73/1415226673.db2.gz ILBWAHQNEFVAJX-UHFFFAOYSA-N -1 3 344.249 2.600 10 5 EFBEHM O=c1cc([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227692 1415231426 /nfs/dbraw/zinc/23/14/26/1415231426.db2.gz ZYAJYZWUTOTKLX-JTQLQIEISA-N -1 3 325.328 2.566 10 5 EFBEHM Cc1cc(=O)[n-]c(CNc2ncnc3c(Cl)cc([N+](=O)[O-])cc23)n1 ZINC001559227524 1415231868 /nfs/dbraw/zinc/23/18/68/1415231868.db2.gz TZUFEAXMAAYNIV-UHFFFAOYSA-N -1 3 346.734 2.608 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccsc3[N+](=O)[O-])C2)n1 ZINC001559278904 1415235958 /nfs/dbraw/zinc/23/59/58/1415235958.db2.gz WYUXWOCTBCKYHS-SNVBAGLBSA-N -1 3 335.389 2.541 10 5 EFBEHM Cc1cc(-n2cccn2)ccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001559295919 1415237849 /nfs/dbraw/zinc/23/78/49/1415237849.db2.gz TUZZBPZJIBNBQT-UHFFFAOYSA-N -1 3 325.328 2.802 10 5 EFBEHM CSc1ccc([O-])c(C(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC001567174750 1415969788 /nfs/dbraw/zinc/96/97/88/1415969788.db2.gz MMXIWLTWDIOJFJ-UHFFFAOYSA-N -1 3 332.381 2.995 10 5 EFBEHM O=C([N-]Cc1cc(C2CC2)no1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000894270205 721832569 /nfs/dbraw/zinc/83/25/69/721832569.db2.gz UHQHWDMJFZKGKZ-UHFFFAOYSA-N -1 3 337.282 2.868 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000800943338 726242456 /nfs/dbraw/zinc/24/24/56/726242456.db2.gz YJSNFPXCRCGQJE-UHFFFAOYSA-N -1 3 332.325 2.523 10 5 EFBEHM C[C@@](CO)(Cc1ccc(F)cc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000865715261 1126114845 /nfs/dbraw/zinc/11/48/45/1126114845.db2.gz MSZLTGLJAKTWAM-KRWDZBQOSA-N -1 3 334.347 2.523 10 5 EFBEHM C[C@](CO)(Cc1ccc(F)cc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000865715262 1126114895 /nfs/dbraw/zinc/11/48/95/1126114895.db2.gz MSZLTGLJAKTWAM-QGZVFWFLSA-N -1 3 334.347 2.523 10 5 EFBEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001647561263 1089546657 /nfs/dbraw/zinc/54/66/57/1089546657.db2.gz PWEYDKKGFVJPDG-AULYBMBSSA-N -1 3 342.355 2.547 10 5 EFBEHM C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001651187276 1093536478 /nfs/dbraw/zinc/53/64/78/1093536478.db2.gz RMBFOGFMJQSEOT-GHMZBOCLSA-N -1 3 330.344 2.771 10 5 EFBEHM O=[N+]([O-])c1ccc2[n-]c(Sc3nnnn3-c3ccccc3)nc2c1 ZINC001651303215 1093550324 /nfs/dbraw/zinc/55/03/24/1093550324.db2.gz ICADZDROJGBASU-UHFFFAOYSA-N -1 3 339.340 2.598 10 5 EFBEHM COc1cc([N+](=O)[O-])cnc1[N-]C(=O)c1c(F)ccc(F)c1F ZINC001596210235 1094519353 /nfs/dbraw/zinc/51/93/53/1094519353.db2.gz ITILAMMEPXVVQL-UHFFFAOYSA-N -1 3 327.218 2.668 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc3c[nH]nc32)n1 ZINC001606843311 1097462750 /nfs/dbraw/zinc/46/27/50/1097462750.db2.gz MCYVWJLHNAWJBQ-UHFFFAOYSA-N -1 3 334.723 2.593 10 5 EFBEHM CN(C)CCN(CC1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001625690121 1099840310 /nfs/dbraw/zinc/84/03/10/1099840310.db2.gz GHMPIYRSELJAEU-UHFFFAOYSA-N -1 3 349.431 2.885 10 5 EFBEHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OC/C=C\Cl ZINC001625745123 1099847028 /nfs/dbraw/zinc/84/70/28/1099847028.db2.gz FYGOWCZPQMPFBJ-RJRFIUFISA-N -1 3 349.568 2.700 10 5 EFBEHM CC(=O)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc1[O-] ZINC001632976708 1100511836 /nfs/dbraw/zinc/51/18/36/1100511836.db2.gz GXVBDBGSLDEIOX-UHFFFAOYSA-N -1 3 328.324 2.741 10 5 EFBEHM CCc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1[O-] ZINC001636465888 1100721200 /nfs/dbraw/zinc/72/12/00/1100721200.db2.gz DERGYINITDNWHZ-UHFFFAOYSA-N -1 3 330.296 2.844 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C\c1cncc([O-])c1 ZINC001638269408 1100845877 /nfs/dbraw/zinc/84/58/77/1100845877.db2.gz WLTMMJQXWNYAGB-UTCJRWHESA-N -1 3 329.312 2.746 10 5 EFBEHM Cn1cc([N+](=O)[O-])c([N-]c2cnn(Cc3ccc(Cl)cc3)c2)n1 ZINC001639548793 1100959960 /nfs/dbraw/zinc/95/99/60/1100959960.db2.gz SYRFVQBMEGOMMY-UHFFFAOYSA-N -1 3 332.751 2.970 10 5 EFBEHM CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001640526078 1101055373 /nfs/dbraw/zinc/05/53/73/1101055373.db2.gz YSRCNZBWNULQTR-HAQNSBGRSA-N -1 3 346.391 2.754 10 5 EFBEHM Cc1noc(COc2ccc(Oc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001642269602 1101203115 /nfs/dbraw/zinc/20/31/15/1101203115.db2.gz CFMXFTWEXAQYOD-UHFFFAOYSA-N -1 3 344.283 2.758 10 5 EFBEHM C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001651988867 1101414567 /nfs/dbraw/zinc/41/45/67/1101414567.db2.gz FZOPOABWEPWXRS-VHSXEESVSA-N -1 3 348.334 2.910 10 5 EFBEHM CNc1nccc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC001654336289 1101705831 /nfs/dbraw/zinc/70/58/31/1101705831.db2.gz WWUWNQRRTUTRQD-UHFFFAOYSA-N -1 3 339.311 2.939 10 5 EFBEHM COc1ccc2[nH]cc(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])c2c1 ZINC001655122653 1101789208 /nfs/dbraw/zinc/78/92/08/1101789208.db2.gz KVVWWPGMTKDUOJ-UHFFFAOYSA-N -1 3 328.328 2.840 10 5 EFBEHM Cc1[n-][nH]c(=O)c1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001655149364 1101790633 /nfs/dbraw/zinc/79/06/33/1101790633.db2.gz GLZNKIQMDPRCMS-ZETCQYMHSA-N -1 3 331.159 2.826 10 5 EFBEHM Cc1[n-][nH]c(=O)c1CCNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001655149363 1101790658 /nfs/dbraw/zinc/79/06/58/1101790658.db2.gz GLZNKIQMDPRCMS-SSDOTTSWSA-N -1 3 331.159 2.826 10 5 EFBEHM C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001655615163 1101860158 /nfs/dbraw/zinc/86/01/58/1101860158.db2.gz YFFXJEASCAOLDV-QWRGUYRKSA-N -1 3 330.344 2.771 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC001655848071 1101900259 /nfs/dbraw/zinc/90/02/59/1101900259.db2.gz NURITNWNZFSVJV-SNVBAGLBSA-N -1 3 349.778 2.743 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000032405667 202224175 /nfs/dbraw/zinc/22/41/75/202224175.db2.gz UFDDVCSHCWXNOT-VIFPVBQESA-N -1 3 342.398 2.704 10 5 EFBEHM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000356260287 296104348 /nfs/dbraw/zinc/10/43/48/296104348.db2.gz VNXXXPKOFLPCSE-PXAZEXFGSA-N -1 3 343.383 2.722 10 5 EFBEHM CCOC(=O)c1cnc2c(Br)cc([N+](=O)[O-])cc2c1[O-] ZINC000072237336 203184310 /nfs/dbraw/zinc/18/43/10/203184310.db2.gz XIRGFLNNARSSAQ-UHFFFAOYSA-N -1 3 341.117 2.788 10 5 EFBEHM C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416366082 244658179 /nfs/dbraw/zinc/65/81/79/244658179.db2.gz BTAMOPNWOCOPAQ-HTQZYQBOSA-N -1 3 338.307 2.548 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000422126081 246263761 /nfs/dbraw/zinc/26/37/61/246263761.db2.gz WEAMARNTPCYSGL-RAIGVLPGSA-N -1 3 326.356 2.782 10 5 EFBEHM CC(C)C(=O)Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000444827115 250353244 /nfs/dbraw/zinc/35/32/44/250353244.db2.gz NZBKCVTXUROQSP-UHFFFAOYSA-N -1 3 344.327 2.542 10 5 EFBEHM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(F)cc1F ZINC000013015793 207274498 /nfs/dbraw/zinc/27/44/98/207274498.db2.gz KVGAFDUSSFGFDR-UHFFFAOYSA-N -1 3 332.259 2.813 10 5 EFBEHM O=C(c1cc([O-])ccc1Cl)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000345399469 145532070 /nfs/dbraw/zinc/53/20/70/145532070.db2.gz VPFUPUGUAVFADP-UHFFFAOYSA-N -1 3 333.731 2.547 10 5 EFBEHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccc([O-])c(F)c1 ZINC000362938607 148910193 /nfs/dbraw/zinc/91/01/93/148910193.db2.gz ORVFZTHFOPMVKU-UHFFFAOYSA-N -1 3 340.257 2.577 10 5 EFBEHM Cc1cnc(-c2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2)o1 ZINC000373106127 151114433 /nfs/dbraw/zinc/11/44/33/151114433.db2.gz FYSFAUOIZPUDJB-UHFFFAOYSA-N -1 3 340.295 2.911 10 5 EFBEHM COc1ccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000020249525 544429867 /nfs/dbraw/zinc/42/98/67/544429867.db2.gz BFGDVYJHWHYMGN-UHFFFAOYSA-N -1 3 331.244 2.791 10 5 EFBEHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000271625255 266024525 /nfs/dbraw/zinc/02/45/25/266024525.db2.gz ASWUJYUBLFDKIY-SNVBAGLBSA-N -1 3 344.371 2.517 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000277692265 267236468 /nfs/dbraw/zinc/23/64/68/267236468.db2.gz ZVLSXCACKSWGPT-UHFFFAOYSA-N -1 3 345.359 2.952 10 5 EFBEHM CCCN(CCN1CCCCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000286295872 274171940 /nfs/dbraw/zinc/17/19/40/274171940.db2.gz SDUKKQBYJIBART-UHFFFAOYSA-N -1 3 335.404 2.639 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000345623951 288056035 /nfs/dbraw/zinc/05/60/35/288056035.db2.gz FAHKHYMLBNXPPM-JTQLQIEISA-N -1 3 326.296 2.522 10 5 EFBEHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000303799866 311210326 /nfs/dbraw/zinc/21/03/26/311210326.db2.gz LLOCCUZZCMZVRG-CYBMUJFWSA-N -1 3 334.397 2.985 10 5 EFBEHM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303824242 311210423 /nfs/dbraw/zinc/21/04/23/311210423.db2.gz KNRGKBOVJIDTSH-NWDGAFQWSA-N -1 3 342.417 2.851 10 5 EFBEHM C[C@@H](F)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486176 312191863 /nfs/dbraw/zinc/19/18/63/312191863.db2.gz DLWSSUHENVXTSO-SSDOTTSWSA-N -1 3 344.286 2.640 10 5 EFBEHM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc2c1CCC2 ZINC000531634775 317294766 /nfs/dbraw/zinc/29/47/66/317294766.db2.gz PLDCMTVSSWKAEW-UHFFFAOYSA-N -1 3 347.352 2.579 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc(C(=O)OC)co1 ZINC000547371702 318001662 /nfs/dbraw/zinc/00/16/62/318001662.db2.gz UEXUSESBRWNMCE-UHFFFAOYSA-N -1 3 334.284 2.625 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000548862330 318151566 /nfs/dbraw/zinc/15/15/66/318151566.db2.gz AQFLCWMYVUHANY-UHFFFAOYSA-N -1 3 340.323 2.770 10 5 EFBEHM CCC(CC)Nc1ccncc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000566451530 319078103 /nfs/dbraw/zinc/07/81/03/319078103.db2.gz DBABVJADZAAURP-UHFFFAOYSA-N -1 3 344.371 2.970 10 5 EFBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577691036 320133537 /nfs/dbraw/zinc/13/35/37/320133537.db2.gz ZLPGUIKRHYXABR-SECBINFHSA-N -1 3 346.343 2.545 10 5 EFBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000577691036 320133539 /nfs/dbraw/zinc/13/35/39/320133539.db2.gz ZLPGUIKRHYXABR-SECBINFHSA-N -1 3 346.343 2.545 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cscn2)cc1C ZINC000583704552 324856884 /nfs/dbraw/zinc/85/68/84/324856884.db2.gz JZYBGVHDARYILV-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1cc([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000000215070 471337013 /nfs/dbraw/zinc/33/70/13/471337013.db2.gz KDGNHRGZTVXCNE-UHFFFAOYSA-N -1 3 338.751 2.878 10 5 EFBEHM COc1cc([N-]C(=O)c2noc(C)c2[N+](=O)[O-])c(OC)cc1Cl ZINC000004937324 471480789 /nfs/dbraw/zinc/48/07/89/471480789.db2.gz CVOJBCLIWZWWNK-UHFFFAOYSA-N -1 3 341.707 2.814 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000067877279 472102747 /nfs/dbraw/zinc/10/27/47/472102747.db2.gz GSYCULGEKRIIHJ-UONOGXRCSA-N -1 3 332.381 2.738 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000067951204 472114113 /nfs/dbraw/zinc/11/41/13/472114113.db2.gz MJWOXILCJZTWHB-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000067951011 472114718 /nfs/dbraw/zinc/11/47/18/472114718.db2.gz UNGAXOUIYLLWBR-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)c1 ZINC000068002369 472121360 /nfs/dbraw/zinc/12/13/60/472121360.db2.gz ZOMINUQKYCZRIF-UHFFFAOYSA-N -1 3 347.352 2.831 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000057011533 472373113 /nfs/dbraw/zinc/37/31/13/472373113.db2.gz QEYJFWGUGNTIME-VXGBXAGGSA-N -1 3 342.417 2.708 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000057011966 472373174 /nfs/dbraw/zinc/37/31/74/472373174.db2.gz OZRKBYHJSGXKQK-UHFFFAOYSA-N -1 3 342.417 2.708 10 5 EFBEHM CCOC(=O)c1csc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000045170496 472379355 /nfs/dbraw/zinc/37/93/55/472379355.db2.gz PVVUQCOWGUQSDS-UHFFFAOYSA-N -1 3 341.370 2.850 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000077393774 472519348 /nfs/dbraw/zinc/51/93/48/472519348.db2.gz BWTGNAJGOSZWEG-UHFFFAOYSA-N -1 3 332.381 2.819 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n[n-]1 ZINC000119486997 472560635 /nfs/dbraw/zinc/56/06/35/472560635.db2.gz AEXQHWPYJAYMPX-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)[n-]n1 ZINC000119486997 472560637 /nfs/dbraw/zinc/56/06/37/472560637.db2.gz AEXQHWPYJAYMPX-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000119735409 472579062 /nfs/dbraw/zinc/57/90/62/472579062.db2.gz AIKOTLBVYOJDSR-ZDUSSCGKSA-N -1 3 343.383 2.551 10 5 EFBEHM COC(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)nc1C ZINC000078232926 472678770 /nfs/dbraw/zinc/67/87/70/472678770.db2.gz MJIPGCMACXGREQ-UHFFFAOYSA-N -1 3 341.370 2.769 10 5 EFBEHM Cc1ccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000047296844 472686907 /nfs/dbraw/zinc/68/69/07/472686907.db2.gz OAWQHXPBPBXYCQ-UHFFFAOYSA-N -1 3 340.339 2.987 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000159947411 473074246 /nfs/dbraw/zinc/07/42/46/473074246.db2.gz GZBZCXLSDRWYHN-LBPRGKRZSA-N -1 3 341.414 2.622 10 5 EFBEHM CS[C@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180195916 473824995 /nfs/dbraw/zinc/82/49/95/473824995.db2.gz AFFYSZKIJCVFRN-MRVPVSSYSA-N -1 3 338.838 2.586 10 5 EFBEHM COc1cc(CNc2cc(C)n([C@H](C)C3CC3)n2)c([N+](=O)[O-])cc1[O-] ZINC000344355380 474681664 /nfs/dbraw/zinc/68/16/64/474681664.db2.gz LAADIDJYUSACTC-LLVKDONJSA-N -1 3 346.387 2.819 10 5 EFBEHM CC(C)(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)c([O-])c1 ZINC000337673685 475225853 /nfs/dbraw/zinc/22/58/53/475225853.db2.gz YUGLIIRHBKXXDP-UHFFFAOYSA-N -1 3 330.344 2.827 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C[C@H](C)C[C@@H](C)C1 ZINC000352472775 475328788 /nfs/dbraw/zinc/32/87/88/475328788.db2.gz KAFXNAFOBXXEJG-GHMZBOCLSA-N -1 3 342.417 2.706 10 5 EFBEHM Cc1cc2sc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])nc2cc1F ZINC000358048548 475361808 /nfs/dbraw/zinc/36/18/08/475361808.db2.gz OLLDTJRTEQLQBM-UHFFFAOYSA-N -1 3 335.320 2.638 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)C(F)(F)F ZINC000345724666 475396560 /nfs/dbraw/zinc/39/65/60/475396560.db2.gz REWDXNZEFFCLEP-JTQLQIEISA-N -1 3 326.296 2.522 10 5 EFBEHM CC(F)(F)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000297269677 475683584 /nfs/dbraw/zinc/68/35/84/475683584.db2.gz ZHTIEQYCASRUPH-UHFFFAOYSA-N -1 3 342.751 2.962 10 5 EFBEHM O=[N+]([O-])c1ccc(OC(F)F)c(CNCc2ncccc2[O-])c1 ZINC000355338834 475841436 /nfs/dbraw/zinc/84/14/36/475841436.db2.gz ULVNNRYWYKGYIX-UHFFFAOYSA-N -1 3 325.271 2.587 10 5 EFBEHM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000346990480 476013674 /nfs/dbraw/zinc/01/36/74/476013674.db2.gz NHEUZNFOJQGVAV-SECBINFHSA-N -1 3 342.398 2.704 10 5 EFBEHM CSc1ccc(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000344052617 476151548 /nfs/dbraw/zinc/15/15/48/476151548.db2.gz SUTACSRUFSKTLG-UHFFFAOYSA-N -1 3 335.389 2.916 10 5 EFBEHM CCO[C@H]1C[C@@](NCc2ccc([N+](=O)[O-])cc2C)(C(=O)[O-])C1(C)C ZINC000340672115 476195373 /nfs/dbraw/zinc/19/53/73/476195373.db2.gz BQQIGPDMPDYAIK-WMLDXEAASA-N -1 3 336.388 2.651 10 5 EFBEHM CC(C)c1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000354203156 476499781 /nfs/dbraw/zinc/49/97/81/476499781.db2.gz HBGKJLXYPHBPRY-UHFFFAOYSA-N -1 3 330.392 2.790 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CCC3(C)C)n1 ZINC000421630863 476688402 /nfs/dbraw/zinc/68/84/02/476688402.db2.gz KQHMKNNFMPIEHY-UHFFFAOYSA-N -1 3 335.389 2.744 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000451999371 476768318 /nfs/dbraw/zinc/76/83/18/476768318.db2.gz XFLJVYZPFQCFOE-CYBMUJFWSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(C)(C)C ZINC000431567390 477052172 /nfs/dbraw/zinc/05/21/72/477052172.db2.gz XZNFZPWKOOHRNT-UHFFFAOYSA-N -1 3 344.433 2.954 10 5 EFBEHM CC[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC000431865678 477111586 /nfs/dbraw/zinc/11/15/86/477111586.db2.gz ROIBJBKQWNRVGD-CYBMUJFWSA-N -1 3 343.318 2.886 10 5 EFBEHM CC[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000431865678 477111593 /nfs/dbraw/zinc/11/15/93/477111593.db2.gz ROIBJBKQWNRVGD-CYBMUJFWSA-N -1 3 343.318 2.886 10 5 EFBEHM CC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc([N+](=O)[O-])c1 ZINC000431865678 477111601 /nfs/dbraw/zinc/11/16/01/477111601.db2.gz ROIBJBKQWNRVGD-CYBMUJFWSA-N -1 3 343.318 2.886 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CC(C)(C)C ZINC000416508377 477194807 /nfs/dbraw/zinc/19/48/07/477194807.db2.gz RGKAKPNYQMLROS-JTQLQIEISA-N -1 3 330.406 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CC(C)(C)C ZINC000416508378 477194908 /nfs/dbraw/zinc/19/49/08/477194908.db2.gz RGKAKPNYQMLROS-SNVBAGLBSA-N -1 3 330.406 2.706 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCCCO1 ZINC000594487167 478407026 /nfs/dbraw/zinc/40/70/26/478407026.db2.gz LECLAMMZMQAOEV-PWSUYJOCSA-N -1 3 348.446 2.591 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000594793176 478543117 /nfs/dbraw/zinc/54/31/17/478543117.db2.gz AFABLXMMCBMWJS-CYBMUJFWSA-N -1 3 349.412 2.689 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)(C)C ZINC000594795117 478543452 /nfs/dbraw/zinc/54/34/52/478543452.db2.gz MRDOOJKJAWOTAT-SNVBAGLBSA-N -1 3 337.401 2.856 10 5 EFBEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000594812357 478548592 /nfs/dbraw/zinc/54/85/92/478548592.db2.gz BTPUUXZPPFKMKP-JTQLQIEISA-N -1 3 330.406 2.706 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)c2cscn2)c1[N+](=O)[O-] ZINC000594819131 478551442 /nfs/dbraw/zinc/55/14/42/478551442.db2.gz TUZQAXPONRJPNN-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1C ZINC000594857915 478563330 /nfs/dbraw/zinc/56/33/30/478563330.db2.gz PTDFOWDFKZNIBK-CYBMUJFWSA-N -1 3 348.371 2.925 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594857697 478563502 /nfs/dbraw/zinc/56/35/02/478563502.db2.gz OEZKSOGWWAWSQL-SNVBAGLBSA-N -1 3 340.373 2.678 10 5 EFBEHM Cn1cc(C[C@H]2CCC[C@@H]2NCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000594979363 478614839 /nfs/dbraw/zinc/61/48/39/478614839.db2.gz JXYALAIYCPNSDA-CJNGLKHVSA-N -1 3 330.388 2.535 10 5 EFBEHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1[N-]c1cnn(C)c1C(F)F ZINC000601134342 478678620 /nfs/dbraw/zinc/67/86/20/478678620.db2.gz ADADLTASQRUWSW-UHFFFAOYSA-N -1 3 340.212 2.762 10 5 EFBEHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCC3(CCC(O)CC3)CC2)c1 ZINC000595279704 478711044 /nfs/dbraw/zinc/71/10/44/478711044.db2.gz XYVITWDZWXRJKN-UHFFFAOYSA-N -1 3 348.399 2.810 10 5 EFBEHM O=C([O-])c1ccc([N+](=O)[O-])c(CN2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595279615 478711611 /nfs/dbraw/zinc/71/16/11/478711611.db2.gz SFYIUKNGQVBGLS-HDICACEKSA-N -1 3 346.383 2.686 10 5 EFBEHM CN1CCC(n2cc([N-]c3nc4sccn4c3[N+](=O)[O-])cn2)CC1 ZINC000601224759 478733793 /nfs/dbraw/zinc/73/37/93/478733793.db2.gz AMPCVVRMXMHYKF-UHFFFAOYSA-N -1 3 347.404 2.511 10 5 EFBEHM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000592068048 478762308 /nfs/dbraw/zinc/76/23/08/478762308.db2.gz ZYQFEMJOJNXXAA-ZETCQYMHSA-N -1 3 342.751 2.818 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CC2CCC(F)CC2)c([N+](=O)[O-])s1 ZINC000601453262 478839487 /nfs/dbraw/zinc/83/94/87/478839487.db2.gz RFPILKJOKDAJAY-UHFFFAOYSA-N -1 3 336.410 2.771 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCCC1CCOCC1 ZINC000592382582 478876550 /nfs/dbraw/zinc/87/65/50/478876550.db2.gz QEBPBQMLCHWMQC-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c(Cl)c1 ZINC000598622573 478932114 /nfs/dbraw/zinc/93/21/14/478932114.db2.gz PXOQFPWOCLCMAT-SSDOTTSWSA-N -1 3 340.735 2.572 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598681281 478967215 /nfs/dbraw/zinc/96/72/15/478967215.db2.gz KJLPQRZFBXKNPJ-HONMWMINSA-N -1 3 326.356 2.782 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000598734830 478996817 /nfs/dbraw/zinc/99/68/17/478996817.db2.gz PEYDGWDQNKIHGK-UHFFFAOYSA-N -1 3 340.323 2.831 10 5 EFBEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000592950436 479106152 /nfs/dbraw/zinc/10/61/52/479106152.db2.gz VTWICCAVOCZNHT-UONOGXRCSA-N -1 3 328.372 2.914 10 5 EFBEHM COc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)cc([N+](=O)[O-])c1C ZINC000592949716 479106276 /nfs/dbraw/zinc/10/62/76/479106276.db2.gz LGPVDALUINZPGO-UHFFFAOYSA-N -1 3 332.360 2.741 10 5 EFBEHM C[C@@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000515301296 479143586 /nfs/dbraw/zinc/14/35/86/479143586.db2.gz FGVJWRCQYNKIPP-MWLCHTKSSA-N -1 3 341.795 2.509 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1C ZINC000610800080 479192325 /nfs/dbraw/zinc/19/23/25/479192325.db2.gz FRPRHNRMZWQXLL-UHFFFAOYSA-N -1 3 344.776 2.937 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000599446844 479300508 /nfs/dbraw/zinc/30/05/08/479300508.db2.gz ZCKDPSIABOZPIH-LBPRGKRZSA-N -1 3 340.401 2.628 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000599445179 479300985 /nfs/dbraw/zinc/30/09/85/479300985.db2.gz LQTZKMSIGZYVPN-GFCCVEGCSA-N -1 3 340.401 2.628 10 5 EFBEHM CSc1cc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000611238471 479319551 /nfs/dbraw/zinc/31/95/51/479319551.db2.gz NFBASPIHIDRXPY-UHFFFAOYSA-N -1 3 329.341 2.840 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)c(F)c1 ZINC000599521976 479320666 /nfs/dbraw/zinc/32/06/66/479320666.db2.gz XEBPBGQELILTOY-JTQLQIEISA-N -1 3 328.365 2.593 10 5 EFBEHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532590 479379013 /nfs/dbraw/zinc/37/90/13/479379013.db2.gz XWRYXLNGXFSAOC-OAHLLOKOSA-N -1 3 349.412 2.708 10 5 EFBEHM Cc1cc(C)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000588144329 479398293 /nfs/dbraw/zinc/39/82/93/479398293.db2.gz FAXOCAZIFBQMER-LBPRGKRZSA-N -1 3 334.344 2.678 10 5 EFBEHM O=C([N-]c1cccc([N+](=O)[O-])c1)c1nnn(C2CC2)c1C(F)(F)F ZINC000610395278 480295583 /nfs/dbraw/zinc/29/55/83/480295583.db2.gz JRTRVOFIFAVFLA-UHFFFAOYSA-N -1 3 341.249 2.792 10 5 EFBEHM O=C(Nc1cccc2cnncc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000617870379 480398531 /nfs/dbraw/zinc/39/85/31/480398531.db2.gz OOVFKCLBCPVAPI-UHFFFAOYSA-N -1 3 334.295 2.667 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(C)noc1C ZINC000119372185 522905122 /nfs/dbraw/zinc/90/51/22/522905122.db2.gz LUKYHYYJSGDMHT-SECBINFHSA-N -1 3 345.402 2.691 10 5 EFBEHM C[C@@H](C(=O)[O-])N(Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000263201650 524295234 /nfs/dbraw/zinc/29/52/34/524295234.db2.gz XKUPFCROJJHBJB-QMMMGPOBSA-N -1 3 343.177 2.795 10 5 EFBEHM CSc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000066001662 526004522 /nfs/dbraw/zinc/00/45/22/526004522.db2.gz NSKNGILOFGCGLT-UHFFFAOYSA-N -1 3 344.439 2.857 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000119594323 527418987 /nfs/dbraw/zinc/41/89/87/527418987.db2.gz AYSPGWYYCJGSSF-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[n-]n1 ZINC000119594323 527419000 /nfs/dbraw/zinc/41/90/00/527419000.db2.gz AYSPGWYYCJGSSF-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM CC(C)Oc1c(F)cc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000343495591 534939851 /nfs/dbraw/zinc/93/98/51/534939851.db2.gz GSUIHAIPLMNRGO-UHFFFAOYSA-N -1 3 340.286 2.646 10 5 EFBEHM O=C(Nc1ccnn1C1CCCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770146649 577404284 /nfs/dbraw/zinc/40/42/84/577404284.db2.gz QZXHMKXXQMMGQS-UHFFFAOYSA-N -1 3 331.332 2.649 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCS[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000921716580 1261265508 /nfs/dbraw/zinc/26/55/08/1261265508.db2.gz XVLBNDWKLJOBBL-CBAPKCEASA-N -1 3 336.460 2.527 10 5 EFBEHM C[C@@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000922093660 1264352288 /nfs/dbraw/zinc/35/22/88/1264352288.db2.gz CKMOIPBACUNSMJ-MRXNPFEDSA-N -1 3 348.380 2.571 10 5 EFBEHM COc1cc(CN[C@H]2CCCc3cccnc32)c([N+](=O)[O-])cc1[O-] ZINC000922881342 1267076722 /nfs/dbraw/zinc/07/67/22/1267076722.db2.gz NOGLNDJGSSFXQG-ZDUSSCGKSA-N -1 3 329.356 2.871 10 5 EFBEHM CN(C)C1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC001137826859 1267222829 /nfs/dbraw/zinc/22/28/29/1267222829.db2.gz SBQYIQRNTUIIAF-UHFFFAOYSA-N -1 3 327.768 2.767 10 5 EFBEHM O=c1[n-]ccc(NCCOc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC001186500742 1290963147 /nfs/dbraw/zinc/96/31/47/1290963147.db2.gz WNWXPFGUSGJCET-UHFFFAOYSA-N -1 3 327.699 2.979 10 5 EFBEHM O=c1[n-]ccc(N2CC(O)(c3cccc4ccccc43)C2)c1[N+](=O)[O-] ZINC001186873106 1291030920 /nfs/dbraw/zinc/03/09/20/1291030920.db2.gz SXWBMGPCUVKEDW-UHFFFAOYSA-N -1 3 337.335 2.556 10 5 EFBEHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OC1CCCC1 ZINC000867222653 1294447391 /nfs/dbraw/zinc/44/73/91/1294447391.db2.gz KWHJLOJXLFIHNJ-UHFFFAOYSA-N -1 3 343.177 2.890 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]1C ZINC000903948269 1313472080 /nfs/dbraw/zinc/47/20/80/1313472080.db2.gz CPKHSDAHSDXHFI-XSUJLISDSA-N -1 3 336.388 2.923 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCSC(C)(C)C)c([N+](=O)[O-])s1 ZINC000866718895 1303765537 /nfs/dbraw/zinc/76/55/37/1303765537.db2.gz QBJDNAFHFQUGMU-UHFFFAOYSA-N -1 3 338.476 2.775 10 5 EFBEHM O=C(Nc1ccccc1OCC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001137433616 1315995986 /nfs/dbraw/zinc/99/59/86/1315995986.db2.gz LMLHZNFZTZMEBM-UHFFFAOYSA-N -1 3 339.254 2.592 10 5 EFBEHM CN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001324911896 1329659037 /nfs/dbraw/zinc/65/90/37/1329659037.db2.gz AJEUFFXESOYMQB-AEFFLSMTSA-N -1 3 345.374 2.975 10 5 EFBEHM O=C([N-]C1CC2(CC2(F)F)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC001328054896 1330546599 /nfs/dbraw/zinc/54/65/99/1330546599.db2.gz AELLLKXFBZBROJ-UHFFFAOYSA-N -1 3 348.252 2.870 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1[N+](=O)[O-] ZINC001333161543 1331086319 /nfs/dbraw/zinc/08/63/19/1331086319.db2.gz BQJUOTJPPFQWRK-JGPRNRPPSA-N -1 3 346.355 2.534 10 5 EFBEHM O=C([N-][C@H]1CCC(F)(F)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584557 1334806972 /nfs/dbraw/zinc/80/69/72/1334806972.db2.gz BQCQEOZEOYKUOJ-QMMMGPOBSA-N -1 3 336.241 2.870 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2n[n-]nc21 ZINC001450717522 1392713995 /nfs/dbraw/zinc/71/39/95/1392713995.db2.gz ULBYMQMPCSFCAF-UHFFFAOYSA-N -1 3 327.300 2.517 10 5 EFBEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccccc1[N+](=O)[O-] ZINC001456932029 1394871169 /nfs/dbraw/zinc/87/11/69/1394871169.db2.gz FECGLQFQMLZDAR-HAQNSBGRSA-N -1 3 342.355 2.547 10 5 EFBEHM Cn1ccnc1-c1csc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])n1 ZINC001457913631 1395384812 /nfs/dbraw/zinc/38/48/12/1395384812.db2.gz TUDFPQQDJMWUDS-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM C[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC001459181915 1395747186 /nfs/dbraw/zinc/74/71/86/1395747186.db2.gz DOTZHJYPXPWXIE-MRVPVSSYSA-N -1 3 331.357 2.830 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001472093839 1397246542 /nfs/dbraw/zinc/24/65/42/1397246542.db2.gz YXPJIXZUUZFPKV-UHFFFAOYSA-N -1 3 346.343 2.752 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001472093839 1397246545 /nfs/dbraw/zinc/24/65/45/1397246545.db2.gz YXPJIXZUUZFPKV-UHFFFAOYSA-N -1 3 346.343 2.752 10 5 EFBEHM O=C(Nc1ccc2ccc(Cl)nc2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001559020787 1415218592 /nfs/dbraw/zinc/21/85/92/1415218592.db2.gz RQARBYFFPXKUKG-UHFFFAOYSA-N -1 3 345.702 2.544 10 5 EFBEHM CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC001565584356 1415405176 /nfs/dbraw/zinc/40/51/76/1415405176.db2.gz STOQUUKAMKSTFK-UHFFFAOYSA-N -1 3 335.404 2.637 10 5 EFBEHM COC(=O)c1cc(NC(=O)c2c(C)cccc2[O-])cc([N+](=O)[O-])c1 ZINC001565986506 1415471012 /nfs/dbraw/zinc/47/10/12/1415471012.db2.gz ZNCPYQJTJRKKAF-UHFFFAOYSA-N -1 3 330.296 2.648 10 5 EFBEHM CC(C)OCCO[N-]C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000908330875 727159708 /nfs/dbraw/zinc/15/97/08/727159708.db2.gz XJPRPVBCVJHVFY-UHFFFAOYSA-N -1 3 330.768 2.654 10 5 EFBEHM Cc1[nH]nc(C(=O)[N-]c2cscc2Br)c1[N+](=O)[O-] ZINC001569724610 1085560868 /nfs/dbraw/zinc/56/08/68/1085560868.db2.gz AQDDHQYEPUYGMD-UHFFFAOYSA-N -1 3 331.151 2.703 10 5 EFBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C2 ZINC001586219724 1092711556 /nfs/dbraw/zinc/71/15/56/1092711556.db2.gz YWKIUBHXZNBGLS-UHFFFAOYSA-N -1 3 342.355 2.678 10 5 EFBEHM Cc1[n-][nH]c(=O)c1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001611993662 1099039974 /nfs/dbraw/zinc/03/99/74/1099039974.db2.gz IAIKRSKVPHQVQB-VIFPVBQESA-N -1 3 330.266 2.538 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(F)cn3n2)cc1Cl ZINC001126505957 1099869215 /nfs/dbraw/zinc/86/92/15/1099869215.db2.gz ACDHHNCYMPECCD-UHFFFAOYSA-N -1 3 349.709 2.991 10 5 EFBEHM CCC(CC)Nc1ccncc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001628673650 1100122418 /nfs/dbraw/zinc/12/24/18/1100122418.db2.gz NLWPCDTWBSNIJK-UHFFFAOYSA-N -1 3 344.371 2.970 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2cnoc2C(C)C)cc([N+](=O)[O-])c1 ZINC001634348396 1100602430 /nfs/dbraw/zinc/60/24/30/1100602430.db2.gz YKNRLNLQNGKSOS-UHFFFAOYSA-N -1 3 333.300 2.745 10 5 EFBEHM COc1cccc([O-])c1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001636247548 1100709140 /nfs/dbraw/zinc/70/91/40/1100709140.db2.gz VMVIBOCULPTTCR-UHFFFAOYSA-N -1 3 336.731 2.892 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001637294132 1100770624 /nfs/dbraw/zinc/77/06/24/1100770624.db2.gz HSEPAAAVVFSHMR-UHFFFAOYSA-N -1 3 348.265 2.907 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001637293880 1100770663 /nfs/dbraw/zinc/77/06/63/1100770663.db2.gz ARVHKGVXCLGNFE-UONOGXRCSA-N -1 3 338.323 2.919 10 5 EFBEHM COc1cccc(SC)c1[N-]C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001639358459 1100942335 /nfs/dbraw/zinc/94/23/35/1100942335.db2.gz PSNIJQXMOPZAIQ-UHFFFAOYSA-N -1 3 334.357 2.555 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001640403035 1101043927 /nfs/dbraw/zinc/04/39/27/1101043927.db2.gz BOZHLAZDPXWFJU-LLVKDONJSA-N -1 3 349.778 2.743 10 5 EFBEHM O=c1[n-]ccc(NCc2ccc(-n3ccnc3)c(F)c2)c1[N+](=O)[O-] ZINC001642134354 1101192062 /nfs/dbraw/zinc/19/20/62/1101192062.db2.gz JLVJVVLKCXULMR-UHFFFAOYSA-N -1 3 329.291 2.632 10 5 EFBEHM CC(=O)c1ccc(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[O-] ZINC001651698863 1101369343 /nfs/dbraw/zinc/36/93/43/1101369343.db2.gz CDBLJYXCRPJHIP-SNVBAGLBSA-N -1 3 328.324 2.994 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c1 ZINC001652225513 1101454750 /nfs/dbraw/zinc/45/47/50/1101454750.db2.gz MCMDOKNNSAFBEM-CYBMUJFWSA-N -1 3 343.387 2.788 10 5 EFBEHM Cc1cc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ncc1[N+](=O)[O-] ZINC001652320324 1101477722 /nfs/dbraw/zinc/47/77/22/1101477722.db2.gz JRNLJLCMYGZDTG-HAQNSBGRSA-N -1 3 329.360 2.932 10 5 EFBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001655892586 1101906910 /nfs/dbraw/zinc/90/69/10/1101906910.db2.gz HTQWLVODANYPPI-RXMQYKEDSA-N -1 3 346.225 2.813 10 5 EFBEHM C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001655892587 1101907179 /nfs/dbraw/zinc/90/71/79/1101907179.db2.gz HTQWLVODANYPPI-YFKPBYRVSA-N -1 3 346.225 2.813 10 5 EFBEHM Cc1conc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Br ZINC001271865545 1102945887 /nfs/dbraw/zinc/94/58/87/1102945887.db2.gz VHNATUMLHLZVKF-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM CN(C)N=c1nc[n-]c(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040628911 213361122 /nfs/dbraw/zinc/36/11/22/213361122.db2.gz LGLYJUNQYBDPPJ-UHFFFAOYSA-N -1 3 326.719 2.809 10 5 EFBEHM COc1cccc(Nc2[n-]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040586909 213355340 /nfs/dbraw/zinc/35/53/40/213355340.db2.gz CNKBHVPFEZUKPC-UHFFFAOYSA-N -1 3 332.364 2.852 10 5 EFBEHM Nc1c(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc(F)cc1[N+](=O)[O-] ZINC000191290558 239019217 /nfs/dbraw/zinc/01/92/17/239019217.db2.gz UGKNSIFJPSVOCP-UHFFFAOYSA-N -1 3 348.338 2.665 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000451999374 251752083 /nfs/dbraw/zinc/75/20/83/251752083.db2.gz XFLJVYZPFQCFOE-ZDUSSCGKSA-N -1 3 342.417 2.851 10 5 EFBEHM CCOC(=O)C(C)(C)n1cc([N-]c2ncc(C)cc2[N+](=O)[O-])cn1 ZINC000268791365 252242433 /nfs/dbraw/zinc/24/24/33/252242433.db2.gz AAKHMFANJQCYRD-UHFFFAOYSA-N -1 3 333.348 2.537 10 5 EFBEHM COC(=O)c1ccccc1[N-]C(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000004937492 210329539 /nfs/dbraw/zinc/32/95/39/210329539.db2.gz IKHSSTWZMKHZKK-UHFFFAOYSA-N -1 3 333.300 2.745 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCCC1(C)C ZINC000467133982 256008960 /nfs/dbraw/zinc/00/89/60/256008960.db2.gz PWJISTQAWFICKE-AWEZNQCLSA-N -1 3 342.417 2.851 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(Oc3ccccc3)c2)n1 ZINC000344606664 142048016 /nfs/dbraw/zinc/04/80/16/142048016.db2.gz PYSWDAYTOFIMMF-UHFFFAOYSA-N -1 3 339.311 2.768 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cn1 ZINC000344765357 142074797 /nfs/dbraw/zinc/07/47/97/142074797.db2.gz AAMOPPQYUPOWMC-ZETCQYMHSA-N -1 3 347.805 2.744 10 5 EFBEHM C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000346251634 142176612 /nfs/dbraw/zinc/17/66/12/142176612.db2.gz KMSVJXLSKMMJKH-GFCCVEGCSA-N -1 3 335.404 2.541 10 5 EFBEHM CCCCN1CCCC[C@@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351964131 146250421 /nfs/dbraw/zinc/25/04/21/146250421.db2.gz JUVBITMUDVEKDO-CYBMUJFWSA-N -1 3 335.404 2.685 10 5 EFBEHM O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000352981901 146365714 /nfs/dbraw/zinc/36/57/14/146365714.db2.gz BYXFCVKTOAUXKT-ZDUSSCGKSA-N -1 3 342.311 2.590 10 5 EFBEHM CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000352991513 146368674 /nfs/dbraw/zinc/36/86/74/146368674.db2.gz OPECBDRWNRMCHL-AWEZNQCLSA-N -1 3 344.371 2.508 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3cccnc3)s2)n1 ZINC000359396919 148075412 /nfs/dbraw/zinc/07/54/12/148075412.db2.gz XDOAQCNMNLVCFT-UHFFFAOYSA-N -1 3 344.356 2.582 10 5 EFBEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269487685 273081615 /nfs/dbraw/zinc/08/16/15/273081615.db2.gz RADKXKFAFXOFMU-JGVFFNPUSA-N -1 3 338.307 2.548 10 5 EFBEHM Cc1ccc([C@@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000280776007 273365480 /nfs/dbraw/zinc/36/54/80/273365480.db2.gz MYLSFERNNPBDCW-OAHLLOKOSA-N -1 3 343.383 2.642 10 5 EFBEHM O=C(NCc1ccc([O-])c(F)c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000132746244 293236757 /nfs/dbraw/zinc/23/67/57/293236757.db2.gz FFJSKCWEAMAMFA-UHFFFAOYSA-N -1 3 329.287 2.851 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000342511944 294078083 /nfs/dbraw/zinc/07/80/83/294078083.db2.gz JXYHLCGAGFEUOU-VQXHTEKXSA-N -1 3 330.431 2.822 10 5 EFBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[N-]c1nc2n(n1)CCCC2 ZINC000457116672 301287509 /nfs/dbraw/zinc/28/75/09/301287509.db2.gz DEDJHBAURYLPIN-UHFFFAOYSA-N -1 3 335.751 2.737 10 5 EFBEHM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303824247 311210515 /nfs/dbraw/zinc/21/05/15/311210515.db2.gz KNRGKBOVJIDTSH-VXGBXAGGSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1nn(C)cc1[N-]c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485400685 313327387 /nfs/dbraw/zinc/32/73/87/313327387.db2.gz BZCBLRJOICOZJG-UHFFFAOYSA-N -1 3 343.318 2.704 10 5 EFBEHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)n1cccc1 ZINC000524596176 316162259 /nfs/dbraw/zinc/16/22/59/316162259.db2.gz NMARNIDRHMCWSX-LBPRGKRZSA-N -1 3 339.355 2.798 10 5 EFBEHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111368193 473211033 /nfs/dbraw/zinc/21/10/33/473211033.db2.gz KQWUKKIJWJCSJC-BZNIZROVSA-N -1 3 332.381 2.807 10 5 EFBEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000446642679 476900890 /nfs/dbraw/zinc/90/08/90/476900890.db2.gz BVHJXXQLTQBDDW-UHFFFAOYSA-N -1 3 337.295 2.944 10 5 EFBEHM CSCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000128833190 472502577 /nfs/dbraw/zinc/50/25/77/472502577.db2.gz YRVLRVJNGDGRMQ-UHFFFAOYSA-N -1 3 338.838 2.670 10 5 EFBEHM Cn1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc2cc(Cl)ccc21 ZINC000064091298 472833655 /nfs/dbraw/zinc/83/36/55/472833655.db2.gz RVACISAKZRYEBH-UHFFFAOYSA-N -1 3 346.730 2.515 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000159947503 473074898 /nfs/dbraw/zinc/07/48/98/473074898.db2.gz GZBZCXLSDRWYHN-GFCCVEGCSA-N -1 3 341.414 2.622 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccn3)cs2)n1 ZINC000191459154 473541713 /nfs/dbraw/zinc/54/17/13/473541713.db2.gz QJPKGDWAEGYKKE-UHFFFAOYSA-N -1 3 344.356 2.582 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2csc(-c3ccncc3)n2)n1 ZINC000191709726 473570741 /nfs/dbraw/zinc/57/07/41/473570741.db2.gz SHJFPUVCRJMJRI-UHFFFAOYSA-N -1 3 344.356 2.582 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nccs1 ZINC000172609311 473656708 /nfs/dbraw/zinc/65/67/08/473656708.db2.gz URIOBFFHCSQOLJ-NSHDSACASA-N -1 3 341.414 2.789 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000184403095 474509863 /nfs/dbraw/zinc/50/98/63/474509863.db2.gz CKDGTMJFFKZARU-JTQLQIEISA-N -1 3 341.414 2.540 10 5 EFBEHM Cc1nn(C)c(C)c1[N-]c1ncc([N+](=O)[O-])cc1Br ZINC000267256624 474629666 /nfs/dbraw/zinc/62/96/66/474629666.db2.gz PJNNGUSHAUFBEV-UHFFFAOYSA-N -1 3 326.154 2.846 10 5 EFBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000253372761 474730351 /nfs/dbraw/zinc/73/03/51/474730351.db2.gz GNUUWMROGGZWCI-UHFFFAOYSA-N -1 3 326.399 2.870 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000339059449 474891084 /nfs/dbraw/zinc/89/10/84/474891084.db2.gz KOZKQFUHSAIURL-LBPRGKRZSA-N -1 3 343.387 2.676 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000339059449 474891089 /nfs/dbraw/zinc/89/10/89/474891089.db2.gz KOZKQFUHSAIURL-LBPRGKRZSA-N -1 3 343.387 2.676 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000339059449 474891092 /nfs/dbraw/zinc/89/10/92/474891092.db2.gz KOZKQFUHSAIURL-LBPRGKRZSA-N -1 3 343.387 2.676 10 5 EFBEHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F ZINC000345644562 475330634 /nfs/dbraw/zinc/33/06/34/475330634.db2.gz PUWYQJHIJFIURE-LLVKDONJSA-N -1 3 340.323 2.768 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000352510872 475365718 /nfs/dbraw/zinc/36/57/18/475365718.db2.gz VLIHJMKDGCOJAF-UHFFFAOYSA-N -1 3 329.337 2.840 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)n1 ZINC000331740756 475400312 /nfs/dbraw/zinc/40/03/12/475400312.db2.gz AIUOQXGAMFWMNW-QMMMGPOBSA-N -1 3 335.389 2.645 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1C ZINC000354776438 475400531 /nfs/dbraw/zinc/40/05/31/475400531.db2.gz YHABUCRDOLNFMJ-RYUDHWBXSA-N -1 3 342.417 2.708 10 5 EFBEHM O=[N+]([O-])c1ccc2nc(Sc3nnc4n3CCCCC4)[n-]c2c1 ZINC000296647339 475410179 /nfs/dbraw/zinc/41/01/79/475410179.db2.gz XBQYXWBCAPDRKZ-UHFFFAOYSA-N -1 3 330.373 2.940 10 5 EFBEHM O=[N+]([O-])c1ccc2[n-]c(Sc3nnc4n3CCCCC4)nc2c1 ZINC000296647339 475410187 /nfs/dbraw/zinc/41/01/87/475410187.db2.gz XBQYXWBCAPDRKZ-UHFFFAOYSA-N -1 3 330.373 2.940 10 5 EFBEHM O=C([N-]c1cc(F)cc(F)c1F)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000348135675 475418596 /nfs/dbraw/zinc/41/85/96/475418596.db2.gz KWIPLVMPVIPZCJ-UHFFFAOYSA-N -1 3 340.213 2.993 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc2cc(C)ccn21 ZINC000348345277 475606582 /nfs/dbraw/zinc/60/65/82/475606582.db2.gz QWKVOHVAFSDCHB-UHFFFAOYSA-N -1 3 341.327 2.597 10 5 EFBEHM COc1cccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000358511697 475738338 /nfs/dbraw/zinc/73/83/38/475738338.db2.gz ULXLDAYDKKFGGW-VIFPVBQESA-N -1 3 342.398 2.704 10 5 EFBEHM C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000355460827 475958279 /nfs/dbraw/zinc/95/82/79/475958279.db2.gz XALIXOGZNRLNBP-LLVKDONJSA-N -1 3 337.339 2.871 10 5 EFBEHM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)nnn1C(C)C ZINC000298186840 476011759 /nfs/dbraw/zinc/01/17/59/476011759.db2.gz VYXZZDSKZMWCHO-UHFFFAOYSA-N -1 3 325.275 2.606 10 5 EFBEHM O=[N+]([O-])c1cc(F)c(CS(=O)(=O)c2cccc([O-])c2)c(F)c1 ZINC000350183775 476084755 /nfs/dbraw/zinc/08/47/55/476084755.db2.gz JDDKVDOAMAUDCN-UHFFFAOYSA-N -1 3 329.280 2.553 10 5 EFBEHM CC(C)(C)n1cnc([N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)n1 ZINC000344045884 476150015 /nfs/dbraw/zinc/15/00/15/476150015.db2.gz JSKNIRWQOGMRLL-UHFFFAOYSA-N -1 3 340.343 2.742 10 5 EFBEHM CCO[C@@H]1C[C@@](NCc2ccc([N+](=O)[O-])cc2C)(C(=O)[O-])C1(C)C ZINC000340672114 476195552 /nfs/dbraw/zinc/19/55/52/476195552.db2.gz BQQIGPDMPDYAIK-RHSMWYFYSA-N -1 3 336.388 2.651 10 5 EFBEHM Cc1c(Cl)cc(S(=O)(=O)[N-]CCC(F)(F)F)cc1[N+](=O)[O-] ZINC000360844467 476423530 /nfs/dbraw/zinc/42/35/30/476423530.db2.gz FFKMJJHTHMEXNK-UHFFFAOYSA-N -1 3 346.714 2.787 10 5 EFBEHM COc1cc(CNc2ncc(C(F)(F)F)s2)c([N+](=O)[O-])cc1[O-] ZINC000357708839 476550311 /nfs/dbraw/zinc/55/03/11/476550311.db2.gz LJXXMFOKNMKAED-UHFFFAOYSA-N -1 3 349.290 2.818 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352328436 476639798 /nfs/dbraw/zinc/63/97/98/476639798.db2.gz HYHRCKURVRTRAC-UHFFFAOYSA-N -1 3 338.307 2.524 10 5 EFBEHM Cc1nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)cc(C2CC2)n1 ZINC000410585031 477024390 /nfs/dbraw/zinc/02/43/90/477024390.db2.gz CAFVGHNUYXDXSG-UHFFFAOYSA-N -1 3 338.327 2.699 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000434779368 477341119 /nfs/dbraw/zinc/34/11/19/477341119.db2.gz UVLGLRLXLIVUTQ-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N=c1cc2ccccn2[n-]1 ZINC000561156833 478158316 /nfs/dbraw/zinc/15/83/16/478158316.db2.gz FJVJDRJNWSQZPX-UHFFFAOYSA-N -1 3 330.731 2.879 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C1CCC1 ZINC000451808748 478210932 /nfs/dbraw/zinc/21/09/32/478210932.db2.gz GRIJDJFCAYMHOS-UHFFFAOYSA-N -1 3 342.417 2.708 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(C)cc1[N+](=O)[O-] ZINC000591328578 478525277 /nfs/dbraw/zinc/52/52/77/478525277.db2.gz VAFFDFOKTWWLKU-LBPRGKRZSA-N -1 3 334.344 2.678 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCCC12CC2 ZINC000600817473 478532113 /nfs/dbraw/zinc/53/21/13/478532113.db2.gz SBKMSVWGEOHLHO-CYBMUJFWSA-N -1 3 326.356 2.926 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCC12CC2 ZINC000600817476 478532591 /nfs/dbraw/zinc/53/25/91/478532591.db2.gz SBKMSVWGEOHLHO-ZDUSSCGKSA-N -1 3 326.356 2.926 10 5 EFBEHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756840 478532796 /nfs/dbraw/zinc/53/27/96/478532796.db2.gz BTFNRBZWIUHKFC-LLVKDONJSA-N -1 3 337.401 2.713 10 5 EFBEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000594812367 478548799 /nfs/dbraw/zinc/54/87/99/478548799.db2.gz CNCCBAUWAKHBNA-JTQLQIEISA-N -1 3 330.406 2.706 10 5 EFBEHM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594853499 478561402 /nfs/dbraw/zinc/56/14/02/478561402.db2.gz YTPWTIANKPWSDT-JTQLQIEISA-N -1 3 340.735 2.572 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@@]1(C)CC1(F)F ZINC000594859057 478564594 /nfs/dbraw/zinc/56/45/94/478564594.db2.gz XWQXXWCDOKNGPC-LBPRGKRZSA-N -1 3 334.344 2.617 10 5 EFBEHM CC[C@@H](C)n1nc([N-]c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1C ZINC000601138726 478681534 /nfs/dbraw/zinc/68/15/34/478681534.db2.gz XDNSSEWZDAAMIR-SSDOTTSWSA-N -1 3 346.313 2.989 10 5 EFBEHM COc1cc(CNCc2cccc3c2CCOC3)c([N+](=O)[O-])cc1[O-] ZINC000601155716 478694718 /nfs/dbraw/zinc/69/47/18/478694718.db2.gz LXLSWXMHRHIHSO-UHFFFAOYSA-N -1 3 344.367 2.672 10 5 EFBEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000595364244 478748921 /nfs/dbraw/zinc/74/89/21/478748921.db2.gz MJHDDZDNPAODRF-OAHLLOKOSA-N -1 3 349.412 2.856 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)CC(F)F)c1C ZINC000592066501 478762644 /nfs/dbraw/zinc/76/26/44/478762644.db2.gz AKNPVJVDFHYRRU-MRVPVSSYSA-N -1 3 336.360 2.781 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c([N+](=O)[O-])s1 ZINC000601305547 478776102 /nfs/dbraw/zinc/77/61/02/478776102.db2.gz ZQLHZZHDULAFHT-MRVPVSSYSA-N -1 3 346.455 2.936 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)c(Cl)c1 ZINC000598622575 478932141 /nfs/dbraw/zinc/93/21/41/478932141.db2.gz PXOQFPWOCLCMAT-ZETCQYMHSA-N -1 3 340.735 2.572 10 5 EFBEHM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CC1CC1)c1cccc(F)c1 ZINC000601703380 478962011 /nfs/dbraw/zinc/96/20/11/478962011.db2.gz UVSFPTVGGNEKCQ-UHFFFAOYSA-N -1 3 331.303 2.891 10 5 EFBEHM CO[C@@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1CCCC1 ZINC000598680606 478966502 /nfs/dbraw/zinc/96/65/02/478966502.db2.gz GVHXUULYCKTNSA-MRXNPFEDSA-N -1 3 344.371 2.551 10 5 EFBEHM O=c1[n-]ccc(N[C@H]2CCN(c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000596164551 479174223 /nfs/dbraw/zinc/17/42/23/479174223.db2.gz NYVIQWCNCGIRAQ-VIFPVBQESA-N -1 3 336.298 2.664 10 5 EFBEHM Cc1cc([C@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)ccc1F ZINC000596176192 479181261 /nfs/dbraw/zinc/18/12/61/479181261.db2.gz ALPQUSJFDBLVIV-CQSZACIVSA-N -1 3 333.319 2.721 10 5 EFBEHM O=c1[n-]ccc(N2CCC[C@@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000596225954 479209338 /nfs/dbraw/zinc/20/93/38/479209338.db2.gz HMQYMMRQNDFCRT-GFCCVEGCSA-N -1 3 343.387 2.612 10 5 EFBEHM Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000610886860 479223752 /nfs/dbraw/zinc/22/37/52/479223752.db2.gz FWQZFECQFKZBOR-UHFFFAOYSA-N -1 3 325.371 2.686 10 5 EFBEHM CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599395655 479283516 /nfs/dbraw/zinc/28/35/16/479283516.db2.gz HASCDABBEFCUFA-CQSZACIVSA-N -1 3 349.412 2.680 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000593542654 479383298 /nfs/dbraw/zinc/38/32/98/479383298.db2.gz JXYRLOSWFUCXBX-LBPRGKRZSA-N -1 3 349.412 2.634 10 5 EFBEHM Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593554811 479386195 /nfs/dbraw/zinc/38/61/95/479386195.db2.gz GOFKIMZEFMJEOO-CYBMUJFWSA-N -1 3 349.412 2.516 10 5 EFBEHM CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000593563937 479389309 /nfs/dbraw/zinc/38/93/09/479389309.db2.gz UYHGJQJUGXSUPO-CYBMUJFWSA-N -1 3 327.406 2.627 10 5 EFBEHM CCc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000066000532 523944033 /nfs/dbraw/zinc/94/40/33/523944033.db2.gz PUYYVYFEUFPYSB-UHFFFAOYSA-N -1 3 332.428 2.759 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000179994594 525474285 /nfs/dbraw/zinc/47/42/85/525474285.db2.gz JWGCOXCLHUMEBY-AWEZNQCLSA-N -1 3 340.401 2.605 10 5 EFBEHM Cc1oc2ncnc([N-]C(=O)c3cc([N+](=O)[O-])cnc3C)c2c1C ZINC000118202181 526794796 /nfs/dbraw/zinc/79/47/96/526794796.db2.gz DKEFDBCYHQLQCM-UHFFFAOYSA-N -1 3 327.300 2.704 10 5 EFBEHM COc1cc(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc([N+](=O)[O-])c1C ZINC000359893719 536540958 /nfs/dbraw/zinc/54/09/58/536540958.db2.gz BYBFHFKYLNWWGH-UHFFFAOYSA-N -1 3 333.348 2.511 10 5 EFBEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000755640340 575612221 /nfs/dbraw/zinc/61/22/21/575612221.db2.gz QQORDJOXAIPSDW-UHFFFAOYSA-N -1 3 331.719 2.852 10 5 EFBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cs1 ZINC000768861834 577311135 /nfs/dbraw/zinc/31/11/35/577311135.db2.gz LSRCBCOAHIFEFQ-ZETCQYMHSA-N -1 3 326.346 2.513 10 5 EFBEHM C[C@]1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000922093659 1264352254 /nfs/dbraw/zinc/35/22/54/1264352254.db2.gz CKMOIPBACUNSMJ-INIZCTEOSA-N -1 3 348.380 2.571 10 5 EFBEHM CC(C)c1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1[N+](=O)[O-] ZINC001144502663 1279745846 /nfs/dbraw/zinc/74/58/46/1279745846.db2.gz NDDBRIJCWAYUPC-LBPRGKRZSA-N -1 3 344.371 2.777 10 5 EFBEHM CCOC(=O)c1ncc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000793961413 1279958367 /nfs/dbraw/zinc/95/83/67/1279958367.db2.gz ZQFGRFNMCKHPDZ-NTMALXAHSA-N -1 3 344.327 2.537 10 5 EFBEHM CCOC(=O)c1nc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000793961413 1279958371 /nfs/dbraw/zinc/95/83/71/1279958371.db2.gz ZQFGRFNMCKHPDZ-NTMALXAHSA-N -1 3 344.327 2.537 10 5 EFBEHM CCOC(=O)c1ncc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000793961412 1279958804 /nfs/dbraw/zinc/95/88/04/1279958804.db2.gz ZQFGRFNMCKHPDZ-CSKARUKUSA-N -1 3 344.327 2.537 10 5 EFBEHM CCOC(=O)c1nc(NC(=O)C=C(C)c2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000793961412 1279958810 /nfs/dbraw/zinc/95/88/10/1279958810.db2.gz ZQFGRFNMCKHPDZ-CSKARUKUSA-N -1 3 344.327 2.537 10 5 EFBEHM COc1cncnc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC001129409983 1280179394 /nfs/dbraw/zinc/17/93/94/1280179394.db2.gz APRSXHOOCQFKJK-UHFFFAOYSA-N -1 3 342.233 2.665 10 5 EFBEHM CC(C)(F)c1cc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)no1 ZINC001135373139 1287980330 /nfs/dbraw/zinc/98/03/30/1287980330.db2.gz IHWOJDHMXRVACW-UHFFFAOYSA-N -1 3 333.279 2.916 10 5 EFBEHM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001184767062 1290514432 /nfs/dbraw/zinc/51/44/32/1290514432.db2.gz LIKYKHVLSKIMPY-UHFFFAOYSA-N -1 3 338.707 2.893 10 5 EFBEHM O=[N+]([O-])c1cnc2c(Cl)cccc2c1SCCc1nnn[n-]1 ZINC001186771963 1291018359 /nfs/dbraw/zinc/01/83/59/1291018359.db2.gz AVCHNQLGSMOXMF-UHFFFAOYSA-N -1 3 336.764 2.644 10 5 EFBEHM O=[N+]([O-])c1cnc2c(Cl)cccc2c1SCCc1nn[n-]n1 ZINC001186771963 1291018368 /nfs/dbraw/zinc/01/83/68/1291018368.db2.gz AVCHNQLGSMOXMF-UHFFFAOYSA-N -1 3 336.764 2.644 10 5 EFBEHM Cc1ccc(N2CCCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000853214120 1300045134 /nfs/dbraw/zinc/04/51/34/1300045134.db2.gz FKGYTUOQVOPZIB-UHFFFAOYSA-N -1 3 328.372 2.721 10 5 EFBEHM Cc1ccccc1[C@H](O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853618008 1300195025 /nfs/dbraw/zinc/19/50/25/1300195025.db2.gz BFAFXSXGXYVHGH-QGZVFWFLSA-N -1 3 343.383 2.954 10 5 EFBEHM C[C@]1(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000853844255 1300305419 /nfs/dbraw/zinc/30/54/19/1300305419.db2.gz VMSPTTHAMMVWNL-LLVKDONJSA-N -1 3 336.241 2.728 10 5 EFBEHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCCCC(F)(F)F ZINC000871216352 1305901632 /nfs/dbraw/zinc/90/16/32/1305901632.db2.gz QSEHNZHRJDPOIF-UHFFFAOYSA-N -1 3 348.277 2.948 10 5 EFBEHM CN(Cc1nccn1Cc1ccccc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162644444 1312141575 /nfs/dbraw/zinc/14/15/75/1312141575.db2.gz MMVUIXMXIZBQOU-UHFFFAOYSA-N -1 3 339.355 2.577 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC001164131662 1312453701 /nfs/dbraw/zinc/45/37/01/1312453701.db2.gz VXUXUPJFMCDIJM-LLVKDONJSA-N -1 3 347.350 2.619 10 5 EFBEHM CC(C)c1nsc([N-]C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)n1 ZINC001288565574 1321710696 /nfs/dbraw/zinc/71/06/96/1321710696.db2.gz KFYCVCVJCFBXIZ-UHFFFAOYSA-N -1 3 336.329 2.551 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001298824883 1323617189 /nfs/dbraw/zinc/61/71/89/1323617189.db2.gz RTDBCEFVOFBABM-UHFFFAOYSA-N -1 3 344.327 2.619 10 5 EFBEHM O=c1[n-]ccc(NCCOc2ncc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC001306998157 1324737449 /nfs/dbraw/zinc/73/74/49/1324737449.db2.gz KFXHAAWMTOERBG-UHFFFAOYSA-N -1 3 345.142 2.888 10 5 EFBEHM COc1ccc([N-]C(=O)c2scc3c2OCCO3)c([N+](=O)[O-])c1 ZINC001350451160 1333084086 /nfs/dbraw/zinc/08/40/86/1333084086.db2.gz QCSCJYMOHNBRIF-UHFFFAOYSA-N -1 3 336.325 2.688 10 5 EFBEHM CC(C)(C)OC(=O)c1cccnc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001437666685 1387914316 /nfs/dbraw/zinc/91/43/16/1387914316.db2.gz WLGBPWNZDQMIHF-UHFFFAOYSA-N -1 3 333.300 2.790 10 5 EFBEHM CC(C)(C(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1[N+](=O)[O-] ZINC001462921895 1396461872 /nfs/dbraw/zinc/46/18/72/1396461872.db2.gz JBBNQNWEUOBXGP-UHFFFAOYSA-N -1 3 341.327 2.889 10 5 EFBEHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC[C@@H]2CCCCN12 ZINC001546162716 1396857059 /nfs/dbraw/zinc/85/70/59/1396857059.db2.gz UTYWJVRRVSOPCC-CMPLNLGQSA-N -1 3 339.779 2.909 10 5 EFBEHM Cc1cccc(CO[N-]C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC001557718740 1415140125 /nfs/dbraw/zinc/14/01/25/1415140125.db2.gz IPVGERKYOHODNS-UHFFFAOYSA-N -1 3 340.339 2.570 10 5 EFBEHM O=c1[n-]ccc(N2Cc3ccc(Br)cc3C2)c1[N+](=O)[O-] ZINC001559160064 1415227546 /nfs/dbraw/zinc/22/75/46/1415227546.db2.gz CVTWXRGONBCARQ-UHFFFAOYSA-N -1 3 336.145 2.978 10 5 EFBEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357838 1415542209 /nfs/dbraw/zinc/54/22/09/1415542209.db2.gz NQIZLQQMUXEAJL-KGLIPLIRSA-N -1 3 330.315 2.859 10 5 EFBEHM COC(=O)c1cc(Oc2nc3ccccc3c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000732666898 727182305 /nfs/dbraw/zinc/18/23/05/727182305.db2.gz GMIBGILUSSOJJX-UHFFFAOYSA-N -1 3 341.279 2.823 10 5 EFBEHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OCc1ccccn1 ZINC001570188304 1086037293 /nfs/dbraw/zinc/03/72/93/1086037293.db2.gz NHQZIPVRDHVCKO-UHFFFAOYSA-N -1 3 335.747 2.824 10 5 EFBEHM CCc1cccc(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1[O-] ZINC001586795737 1092759798 /nfs/dbraw/zinc/75/97/98/1092759798.db2.gz SCSLVGSCUNIABQ-UHFFFAOYSA-N -1 3 344.323 2.902 10 5 EFBEHM O=c1[n-]ccc(NC[C@@H](O)c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001650784448 1093494186 /nfs/dbraw/zinc/49/41/86/1093494186.db2.gz LGEWHDSGJIOYSB-SNVBAGLBSA-N -1 3 327.699 2.633 10 5 EFBEHM O=c1[n-]ccc(NCc2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC001650858523 1093500926 /nfs/dbraw/zinc/50/09/26/1093500926.db2.gz ANZCZGVVVFUMIU-UHFFFAOYSA-N -1 3 329.341 2.826 10 5 EFBEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001626198431 1097746388 /nfs/dbraw/zinc/74/63/88/1097746388.db2.gz OLPHMUQWMZVNNK-UHFFFAOYSA-N -1 3 344.718 2.681 10 5 EFBEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1Cl ZINC001626198431 1097746394 /nfs/dbraw/zinc/74/63/94/1097746394.db2.gz OLPHMUQWMZVNNK-UHFFFAOYSA-N -1 3 344.718 2.681 10 5 EFBEHM Cc1[n-][nH]c(=O)c1CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001611993661 1099039686 /nfs/dbraw/zinc/03/96/86/1099039686.db2.gz IAIKRSKVPHQVQB-SECBINFHSA-N -1 3 330.266 2.538 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccco2)n1 ZINC001617149434 1099216433 /nfs/dbraw/zinc/21/64/33/1099216433.db2.gz WECXAZCUBUZUJQ-UHFFFAOYSA-N -1 3 343.299 2.624 10 5 EFBEHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nncn1-c1ccccc1 ZINC001630881428 1100348242 /nfs/dbraw/zinc/34/82/42/1100348242.db2.gz IJRYGHGQEPOHRG-UHFFFAOYSA-N -1 3 341.302 2.875 10 5 EFBEHM CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC001631531880 1100408449 /nfs/dbraw/zinc/40/84/49/1100408449.db2.gz CTRIVDPRSKLPEP-UHFFFAOYSA-N -1 3 329.356 2.509 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631825481 1100430823 /nfs/dbraw/zinc/43/08/23/1100430823.db2.gz HRFPNMXXMJLQHX-LBPRGKRZSA-N -1 3 344.371 2.578 10 5 EFBEHM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001632366585 1100469283 /nfs/dbraw/zinc/46/92/83/1100469283.db2.gz UOJFMRDTRKCZGL-UHFFFAOYSA-N -1 3 339.311 2.788 10 5 EFBEHM COc1nscc1[N-]C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC001633608175 1100554055 /nfs/dbraw/zinc/55/40/55/1100554055.db2.gz CDBIMWMKHUBGDG-UHFFFAOYSA-N -1 3 340.336 2.517 10 5 EFBEHM C[C@@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccc([N+](=O)[O-])c1 ZINC001637294553 1100769985 /nfs/dbraw/zinc/76/99/85/1100769985.db2.gz PWKOJZNFPMLMIL-SECBINFHSA-N -1 3 326.312 2.919 10 5 EFBEHM O=C([N-]c1nc2ccc3scnc3c2s1)c1n[nH]cc1[N+](=O)[O-] ZINC001639931014 1100996824 /nfs/dbraw/zinc/99/68/24/1100996824.db2.gz FLPWISHYXREFPT-UHFFFAOYSA-N -1 3 346.353 2.790 10 5 EFBEHM C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001640461724 1101049233 /nfs/dbraw/zinc/04/92/33/1101049233.db2.gz JYTAORUDQSNGPY-SCSAIBSYSA-N -1 3 336.661 2.953 10 5 EFBEHM CN(Cc1ccc(OC(F)F)cc1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001642012177 1101181684 /nfs/dbraw/zinc/18/16/84/1101181684.db2.gz AFWWZUDFIBPHPY-UHFFFAOYSA-N -1 3 325.271 2.933 10 5 EFBEHM Cc1cccc(CO[N-]C(=O)Cc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC001642540434 1101222202 /nfs/dbraw/zinc/22/22/02/1101222202.db2.gz SEDNETQEIWNOGI-UHFFFAOYSA-N -1 3 335.747 2.742 10 5 EFBEHM O=c1[n-]ccc(NCc2ccncc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC001642622519 1101227552 /nfs/dbraw/zinc/22/75/52/1101227552.db2.gz BBMZXTHYWKAMNP-UHFFFAOYSA-N -1 3 344.249 2.644 10 5 EFBEHM O=C1OCCN1c1cc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])ccc1F ZINC001642657017 1101231858 /nfs/dbraw/zinc/23/18/58/1101231858.db2.gz XQVRSFHGYHHSSX-UHFFFAOYSA-N -1 3 334.263 2.535 10 5 EFBEHM O=c1[n-]ccc(N[C@@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327177 1101290522 /nfs/dbraw/zinc/29/05/22/1101290522.db2.gz IMEZWOQRXUWBQD-CXAGYDPISA-N -1 3 343.339 2.790 10 5 EFBEHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001652733555 1101537258 /nfs/dbraw/zinc/53/72/58/1101537258.db2.gz PHMJYMGYBDOMNW-SNVBAGLBSA-N -1 3 346.343 2.625 10 5 EFBEHM CC(C)OC(=O)c1cc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001652733555 1101537272 /nfs/dbraw/zinc/53/72/72/1101537272.db2.gz PHMJYMGYBDOMNW-SNVBAGLBSA-N -1 3 346.343 2.625 10 5 EFBEHM COc1nccc2cc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)ccc21 ZINC001654583707 1101737568 /nfs/dbraw/zinc/73/75/68/1101737568.db2.gz HJPJFQUCNGQLJJ-UHFFFAOYSA-N -1 3 340.295 2.505 10 5 EFBEHM O=C(Nc1c[n-][nH]c1=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001654603549 1101739357 /nfs/dbraw/zinc/73/93/57/1101739357.db2.gz SNIUAKCNNZONHJ-UHFFFAOYSA-N -1 3 335.078 2.722 10 5 EFBEHM O=c1[n-]ccc(NC[C@@H](O)c2cc(F)cc(Cl)c2)c1[N+](=O)[O-] ZINC001655440831 1101829094 /nfs/dbraw/zinc/82/90/94/1101829094.db2.gz SQVLVYQVFNIXLW-LLVKDONJSA-N -1 3 327.699 2.633 10 5 EFBEHM Cc1cc(=O)[n-]c(CNc2cccc(Br)c2[N+](=O)[O-])n1 ZINC001655633661 1101862551 /nfs/dbraw/zinc/86/25/51/1101862551.db2.gz UXYOWICVQGZJQP-UHFFFAOYSA-N -1 3 339.149 2.773 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CC[C@@H](Nc3cc(C)c([N+](=O)[O-])cc3F)C2)n1 ZINC001655847545 1101900708 /nfs/dbraw/zinc/90/07/08/1101900708.db2.gz GBYIMIMPGPDVNX-LLVKDONJSA-N -1 3 347.350 2.537 10 5 EFBEHM COc1ccc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC001266541593 1102640067 /nfs/dbraw/zinc/64/00/67/1102640067.db2.gz NMCJRUKQRIAODC-UHFFFAOYSA-N -1 3 335.247 2.903 10 5 EFBEHM O=C([N-]c1nccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000004661936 210240650 /nfs/dbraw/zinc/24/06/50/210240650.db2.gz ZPZKRKGSPHXIPT-UHFFFAOYSA-N -1 3 328.693 2.865 10 5 EFBEHM CC(C)(C)NN=c1nc[n-]c(NCCc2cccs2)c1[N+](=O)[O-] ZINC000040659946 213365422 /nfs/dbraw/zinc/36/54/22/213365422.db2.gz UEAHAJQIXLIZHU-UHFFFAOYSA-N -1 3 336.421 2.816 10 5 EFBEHM COC(=O)c1ccc([N-]c2ncnc(OC(C)C)c2[N+](=O)[O-])cc1 ZINC000040649821 213363789 /nfs/dbraw/zinc/36/37/89/213363789.db2.gz XMRFAVZTOOHMHC-UHFFFAOYSA-N -1 3 332.316 2.702 10 5 EFBEHM CCC[C@H](NCc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000037516556 213153294 /nfs/dbraw/zinc/15/32/94/213153294.db2.gz CVORVWRJAJKARV-NSHDSACASA-N -1 3 331.166 2.700 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCCC(C)(C)C1 ZINC000442766064 250113454 /nfs/dbraw/zinc/11/34/54/250113454.db2.gz JHTIVRWZKMQUPA-NSHDSACASA-N -1 3 342.417 2.851 10 5 EFBEHM CSCCC[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183670129 533572127 /nfs/dbraw/zinc/57/21/27/533572127.db2.gz NEOHSTMXYFEJRF-UHFFFAOYSA-N -1 3 338.838 2.588 10 5 EFBEHM Cc1ccc(CN(C)C)cc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000346392684 142198436 /nfs/dbraw/zinc/19/84/36/142198436.db2.gz UJNMJKIXNCZWIU-UHFFFAOYSA-N -1 3 329.356 2.923 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(C)CCCCC1 ZINC000349933188 142380258 /nfs/dbraw/zinc/38/02/58/142380258.db2.gz PVIFOHWFKCAKCH-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM CCC(=O)c1ccc(Cl)c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000349056305 146044085 /nfs/dbraw/zinc/04/40/85/146044085.db2.gz UHVHTFMJODGQQJ-UHFFFAOYSA-N -1 3 336.735 2.827 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000352133308 146298384 /nfs/dbraw/zinc/29/83/84/146298384.db2.gz FYSDPRUSLISRQU-QJPTWQEYSA-N -1 3 342.417 2.706 10 5 EFBEHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000352889814 146341335 /nfs/dbraw/zinc/34/13/35/146341335.db2.gz IOYAPBLDXQRPRN-LLVKDONJSA-N -1 3 338.385 2.796 10 5 EFBEHM CSc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000352986260 146367677 /nfs/dbraw/zinc/36/76/77/146367677.db2.gz JAIGNNCCQSCEFC-LBPRGKRZSA-N -1 3 348.384 2.566 10 5 EFBEHM CC[C@H](C)N[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000359556264 148121134 /nfs/dbraw/zinc/12/11/34/148121134.db2.gz LVCNWRHBYMNWFZ-SMDDNHRTSA-N -1 3 347.371 2.753 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCCF)c(C(F)(F)F)c1 ZINC000360262686 148314383 /nfs/dbraw/zinc/31/43/83/148314383.db2.gz UDDLZFCXGKVJJL-UHFFFAOYSA-N -1 3 344.286 2.642 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000360444670 148363151 /nfs/dbraw/zinc/36/31/51/148363151.db2.gz HJDHABNYPTYHOW-UHFFFAOYSA-N -1 3 342.417 2.851 10 5 EFBEHM Cc1c(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cccc1[N+](=O)[O-] ZINC000360523928 148383120 /nfs/dbraw/zinc/38/31/20/148383120.db2.gz DCIAIGLGCHLYBY-UHFFFAOYSA-N -1 3 337.335 2.675 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000408132958 152154321 /nfs/dbraw/zinc/15/43/21/152154321.db2.gz NACICHZBOUHQHG-ZDUSSCGKSA-N -1 3 342.417 2.528 10 5 EFBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccsc1 ZINC000046801810 272979208 /nfs/dbraw/zinc/97/92/08/272979208.db2.gz YYOQJRSPHUFGLF-UHFFFAOYSA-N -1 3 346.817 2.831 10 5 EFBEHM Cn1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C2CCCCC2)n1 ZINC000295706351 295363887 /nfs/dbraw/zinc/36/38/87/295363887.db2.gz BGMGSYRHNFIJGB-UHFFFAOYSA-N -1 3 345.359 2.729 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1nccs1 ZINC000159919352 310692873 /nfs/dbraw/zinc/69/28/73/310692873.db2.gz DSXXUSMJQCEVHQ-JTQLQIEISA-N -1 3 341.414 2.789 10 5 EFBEHM Nc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000298579603 311005280 /nfs/dbraw/zinc/00/52/80/311005280.db2.gz LGAGQTQQZZFWIZ-UHFFFAOYSA-N -1 3 330.348 2.526 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-]CC2CCCCC2)cc1[N+](=O)[O-] ZINC000491123746 313708031 /nfs/dbraw/zinc/70/80/31/313708031.db2.gz OLUKXFWUNIZSLW-UHFFFAOYSA-N -1 3 346.380 2.601 10 5 EFBEHM CC(C)(C)C1CC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000549904057 318184504 /nfs/dbraw/zinc/18/45/04/318184504.db2.gz RONAEUBINIQKFP-UHFFFAOYSA-N -1 3 330.381 2.837 10 5 EFBEHM CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183670651 533705056 /nfs/dbraw/zinc/70/50/56/533705056.db2.gz BHFOWYNTWRBTBZ-MRVPVSSYSA-N -1 3 338.838 2.586 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000182675435 323295321 /nfs/dbraw/zinc/29/53/21/323295321.db2.gz PVYOFYWJMDLIDR-UHFFFAOYSA-N -1 3 345.359 2.952 10 5 EFBEHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000111362998 473210019 /nfs/dbraw/zinc/21/00/19/473210019.db2.gz DZGMFEQNGZELRE-SSDOTTSWSA-N -1 3 347.443 2.715 10 5 EFBEHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111368191 473211003 /nfs/dbraw/zinc/21/10/03/473211003.db2.gz KQWUKKIJWJCSJC-MEDUHNTESA-N -1 3 332.381 2.807 10 5 EFBEHM COc1ccc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2c1 ZINC000140238422 473243517 /nfs/dbraw/zinc/24/35/17/473243517.db2.gz BVFUYKWYEQCCNN-UHFFFAOYSA-N -1 3 330.325 2.860 10 5 EFBEHM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601359350 478802286 /nfs/dbraw/zinc/80/22/86/478802286.db2.gz HMQNQQIIWAACNI-MRVPVSSYSA-N -1 3 338.476 2.775 10 5 EFBEHM O=[N+]([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000007405387 471612068 /nfs/dbraw/zinc/61/20/68/471612068.db2.gz KFNGXINMUQDHDV-UHFFFAOYSA-N -1 3 332.259 2.813 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000016088073 471926030 /nfs/dbraw/zinc/92/60/30/471926030.db2.gz BKVXBUPKETULGU-VIFPVBQESA-N -1 3 342.323 2.913 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c(F)c1 ZINC000067877178 472102867 /nfs/dbraw/zinc/10/28/67/472102867.db2.gz BDDUMXBPMYPONJ-OCCSQVGLSA-N -1 3 336.344 2.568 10 5 EFBEHM COc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c1[O-] ZINC000088252158 472352310 /nfs/dbraw/zinc/35/23/10/472352310.db2.gz MLUYZRQVVHGSRQ-UHFFFAOYSA-N -1 3 328.324 2.508 10 5 EFBEHM C[C@H](O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000097046330 472423212 /nfs/dbraw/zinc/42/32/12/472423212.db2.gz JSICLRSRQRIEPP-VIFPVBQESA-N -1 3 326.312 2.777 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000123314094 473125953 /nfs/dbraw/zinc/12/59/53/473125953.db2.gz PLVDJDDWTLLFLT-VXGBXAGGSA-N -1 3 338.410 2.799 10 5 EFBEHM COc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000123684709 473173849 /nfs/dbraw/zinc/17/38/49/473173849.db2.gz WQMGSKHLNZVEDX-UHFFFAOYSA-N -1 3 340.332 2.852 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000171837035 473467707 /nfs/dbraw/zinc/46/77/07/473467707.db2.gz ODGOARNCCWHMEY-VMPITWQZSA-N -1 3 348.380 2.595 10 5 EFBEHM CC[C@H](NC(=O)c1cccc2nn[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC000182795087 474257826 /nfs/dbraw/zinc/25/78/26/474257826.db2.gz HIMOVXKPQWXZNT-ZDUSSCGKSA-N -1 3 325.328 2.747 10 5 EFBEHM CC[C@H](NC(=O)c1cccc2[n-]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000182795087 474257830 /nfs/dbraw/zinc/25/78/30/474257830.db2.gz HIMOVXKPQWXZNT-ZDUSSCGKSA-N -1 3 325.328 2.747 10 5 EFBEHM CC[C@H](NC(=O)c1cccc2n[n-]nc21)c1cccc([N+](=O)[O-])c1 ZINC000182795087 474257835 /nfs/dbraw/zinc/25/78/35/474257835.db2.gz HIMOVXKPQWXZNT-ZDUSSCGKSA-N -1 3 325.328 2.747 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184521911 474537633 /nfs/dbraw/zinc/53/76/33/474537633.db2.gz UMDFRFKEWFMUEX-LLVKDONJSA-N -1 3 341.414 2.622 10 5 EFBEHM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000291625058 474634255 /nfs/dbraw/zinc/63/42/55/474634255.db2.gz HFTLQSAPBVTYGP-MLGOLLRUSA-N -1 3 343.383 2.722 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1(C(F)(F)F)CC1 ZINC000609202788 480126367 /nfs/dbraw/zinc/12/63/67/480126367.db2.gz ZTBSSBFRKFHBGF-UHFFFAOYSA-N -1 3 340.261 2.688 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1CC(C(C)(C)C)C1 ZINC000339021174 474844175 /nfs/dbraw/zinc/84/41/75/474844175.db2.gz KZTZJFJIXTZDMV-UHFFFAOYSA-N -1 3 342.417 2.706 10 5 EFBEHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000609319527 480144796 /nfs/dbraw/zinc/14/47/96/480144796.db2.gz GLJLEXZPQZHHRU-LBPRGKRZSA-N -1 3 338.410 2.931 10 5 EFBEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC2 ZINC000609319526 480145087 /nfs/dbraw/zinc/14/50/87/480145087.db2.gz GLJLEXZPQZHHRU-GFCCVEGCSA-N -1 3 338.410 2.931 10 5 EFBEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354623265 475298543 /nfs/dbraw/zinc/29/85/43/475298543.db2.gz LTWHYCIRKVCQPM-OAHLLOKOSA-N -1 3 348.380 2.624 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000345638562 475326853 /nfs/dbraw/zinc/32/68/53/475326853.db2.gz YOPAPVUEJPVQDM-LLVKDONJSA-N -1 3 340.323 2.768 10 5 EFBEHM O=C(NCc1ncccc1[O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000352506677 475361656 /nfs/dbraw/zinc/36/16/56/475361656.db2.gz IBFPOPLBZJKHJY-UHFFFAOYSA-N -1 3 341.245 2.644 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1C ZINC000354776437 475401009 /nfs/dbraw/zinc/40/10/09/475401009.db2.gz YHABUCRDOLNFMJ-NWDGAFQWSA-N -1 3 342.417 2.708 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc(COC)cs1 ZINC000348249878 475522929 /nfs/dbraw/zinc/52/29/29/475522929.db2.gz RZWXLQGCICRDRU-UHFFFAOYSA-N -1 3 337.357 2.849 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(F)(F)F)ccc2F)n1 ZINC000355496444 475985795 /nfs/dbraw/zinc/98/57/95/475985795.db2.gz RSXUHMZNLHUAAS-UHFFFAOYSA-N -1 3 332.213 2.739 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1cccc2[nH]ccc21 ZINC000337002277 476257531 /nfs/dbraw/zinc/25/75/31/476257531.db2.gz UVGPSQPCKMDWIT-UHFFFAOYSA-N -1 3 345.380 2.597 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000354490388 476684780 /nfs/dbraw/zinc/68/47/80/476684780.db2.gz QJOMPHKRGMJMKC-DMDPSCGWSA-N -1 3 342.417 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000354490392 476684906 /nfs/dbraw/zinc/68/49/06/476684906.db2.gz QJOMPHKRGMJMKC-NQBHXWOUSA-N -1 3 342.417 2.706 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C)C(F)(F)F ZINC000414451799 476881314 /nfs/dbraw/zinc/88/13/14/476881314.db2.gz JEXBHFJJLLUGAI-NSHDSACASA-N -1 3 340.323 2.831 10 5 EFBEHM CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000452342587 476924550 /nfs/dbraw/zinc/92/45/50/476924550.db2.gz IFZJZDKMPXSDRC-ZDUSSCGKSA-N -1 3 335.404 2.541 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000431591888 477057802 /nfs/dbraw/zinc/05/78/02/477057802.db2.gz IVVBISYQPCPVBN-UHFFFAOYSA-N -1 3 348.396 2.846 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000431595112 477058807 /nfs/dbraw/zinc/05/88/07/477058807.db2.gz HYULDSQZQDZCMB-UHFFFAOYSA-N -1 3 330.406 2.706 10 5 EFBEHM CCC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000416554148 477212613 /nfs/dbraw/zinc/21/26/13/477212613.db2.gz FPVVDAFNESOMPC-CYBMUJFWSA-N -1 3 342.417 2.851 10 5 EFBEHM Cc1nc([N-]C(=O)c2cc([N+](=O)[O-])c(C)s2)n(-c2ccccc2)n1 ZINC000440125576 478076253 /nfs/dbraw/zinc/07/62/53/478076253.db2.gz NRERRBPHQATMKN-UHFFFAOYSA-N -1 3 343.368 2.528 10 5 EFBEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594479291 478403889 /nfs/dbraw/zinc/40/38/89/478403889.db2.gz QJMTWQRSVIBZHZ-LBPRGKRZSA-N -1 3 344.433 2.633 10 5 EFBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000594765881 478535561 /nfs/dbraw/zinc/53/55/61/478535561.db2.gz RJFIXAMNQSMCCO-UHFFFAOYSA-N -1 3 347.396 2.922 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)cc1C ZINC000594795348 478542841 /nfs/dbraw/zinc/54/28/41/478542841.db2.gz KWQKLPIPJAUOQG-ZDUSSCGKSA-N -1 3 349.412 2.689 10 5 EFBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000597870549 478553523 /nfs/dbraw/zinc/55/35/23/478553523.db2.gz PBXNGAJLBYVPKR-UHFFFAOYSA-N -1 3 335.389 2.991 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)cc1C ZINC000594856855 478563487 /nfs/dbraw/zinc/56/34/87/478563487.db2.gz JJWPZRKYJYOXLP-ZDUSSCGKSA-N -1 3 348.371 2.925 10 5 EFBEHM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CCN(CC)C1 ZINC000598038635 478627389 /nfs/dbraw/zinc/62/73/89/478627389.db2.gz FOGRLDIICZTBAN-NSHDSACASA-N -1 3 341.795 2.510 10 5 EFBEHM O=[N+]([O-])c1cc2c(nc1[N-]c1cnn(C[C@H]3CCCO3)c1)CCCC2 ZINC000591901821 478685236 /nfs/dbraw/zinc/68/52/36/478685236.db2.gz ZSRIQMLHCIQNQN-CQSZACIVSA-N -1 3 343.387 2.988 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)cc1C ZINC000595350282 478742506 /nfs/dbraw/zinc/74/25/06/478742506.db2.gz GUZQQDCDLMOWHK-GFCCVEGCSA-N -1 3 348.371 2.781 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000595351734 478742523 /nfs/dbraw/zinc/74/25/23/478742523.db2.gz LMDNZHWGRWQJLE-QMMMGPOBSA-N -1 3 340.373 2.534 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC(F)CC1 ZINC000595359507 478747590 /nfs/dbraw/zinc/74/75/90/478747590.db2.gz OWCPFHIURKELBP-WHXUTIOJSA-N -1 3 348.371 2.929 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)CC(F)F)c1[N+](=O)[O-] ZINC000592066523 478762385 /nfs/dbraw/zinc/76/23/85/478762385.db2.gz BBGULNKWBKPHRY-MRVPVSSYSA-N -1 3 336.360 2.781 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)c1C ZINC000592066502 478762447 /nfs/dbraw/zinc/76/24/47/478762447.db2.gz AKNPVJVDFHYRRU-QMMMGPOBSA-N -1 3 336.360 2.781 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000595417659 478767102 /nfs/dbraw/zinc/76/71/02/478767102.db2.gz JYLYMXZESWPLOD-UHFFFAOYSA-N -1 3 340.323 2.852 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592087082 478767648 /nfs/dbraw/zinc/76/76/48/478767648.db2.gz MGAPVKLQIOGRFY-TXEJJXNPSA-N -1 3 342.417 2.528 10 5 EFBEHM Cc1cc([N-]S(=O)(=O)CCCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000592381871 478875137 /nfs/dbraw/zinc/87/51/37/478875137.db2.gz IJPXGCIXPFYKGM-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)cc1C ZINC000598623566 478931630 /nfs/dbraw/zinc/93/16/30/478931630.db2.gz YBYVYDYYFUQBPP-SNVBAGLBSA-N -1 3 334.344 2.535 10 5 EFBEHM CC(C)(C)c1ccc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])c([O-])c1 ZINC000565207335 478951712 /nfs/dbraw/zinc/95/17/12/478951712.db2.gz ZNWRTZTYXBRCCQ-UHFFFAOYSA-N -1 3 330.344 2.658 10 5 EFBEHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCCO1 ZINC000598683086 478969053 /nfs/dbraw/zinc/96/90/53/478969053.db2.gz VSZZFGKCPAAGPH-NHYWBVRUSA-N -1 3 344.371 2.551 10 5 EFBEHM C[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000515301294 479142946 /nfs/dbraw/zinc/14/29/46/479142946.db2.gz FGVJWRCQYNKIPP-GXSJLCMTSA-N -1 3 341.795 2.509 10 5 EFBEHM C[C@H]1C[C@@H](N(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C ZINC000515301297 479143248 /nfs/dbraw/zinc/14/32/48/479143248.db2.gz FGVJWRCQYNKIPP-ONGXEEELSA-N -1 3 341.795 2.509 10 5 EFBEHM COc1cccc(N2CCC[C@H](Nc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596131541 479156007 /nfs/dbraw/zinc/15/60/07/479156007.db2.gz ORPVOIRXKTYCPL-LBPRGKRZSA-N -1 3 344.371 2.785 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000599445180 479300845 /nfs/dbraw/zinc/30/08/45/479300845.db2.gz LQTZKMSIGZYVPN-LBPRGKRZSA-N -1 3 340.401 2.628 10 5 EFBEHM COc1cccc([C@@]2(C)CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596481862 479312038 /nfs/dbraw/zinc/31/20/38/479312038.db2.gz IBVCFIVALICMOM-KRWDZBQOSA-N -1 3 329.356 2.872 10 5 EFBEHM Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593544036 479382958 /nfs/dbraw/zinc/38/29/58/479382958.db2.gz UDTUJDSWLALMMF-UHFFFAOYSA-N -1 3 349.412 2.598 10 5 EFBEHM Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593554812 479386454 /nfs/dbraw/zinc/38/64/54/479386454.db2.gz GOFKIMZEFMJEOO-ZDUSSCGKSA-N -1 3 349.412 2.516 10 5 EFBEHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@@H]2CCCC2(F)F)s1 ZINC000588040149 479386772 /nfs/dbraw/zinc/38/67/72/479386772.db2.gz OWEYEKPMZUGMFZ-SSDOTTSWSA-N -1 3 326.346 2.660 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000604021191 479464185 /nfs/dbraw/zinc/46/41/85/479464185.db2.gz PDORVYUDXYSNNA-UHFFFAOYSA-N -1 3 330.749 2.628 10 5 EFBEHM CC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000590440018 479647013 /nfs/dbraw/zinc/64/70/13/479647013.db2.gz BEFYCZHHYVHOHW-ZDUSSCGKSA-N -1 3 342.355 2.849 10 5 EFBEHM CCc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000077398629 521841607 /nfs/dbraw/zinc/84/16/07/521841607.db2.gz GMVOGONMTPRJSU-UHFFFAOYSA-N -1 3 326.399 2.697 10 5 EFBEHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1F ZINC000064244794 524588375 /nfs/dbraw/zinc/58/83/75/524588375.db2.gz FSTBVJNKKUJRBY-UHFFFAOYSA-N -1 3 330.362 2.582 10 5 EFBEHM COc1ccc(CC(=O)[N-]OCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000754715424 575476067 /nfs/dbraw/zinc/47/60/67/575476067.db2.gz AVLAQLWZPQVAIA-UHFFFAOYSA-N -1 3 334.303 2.533 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000773324719 581419006 /nfs/dbraw/zinc/41/90/06/581419006.db2.gz LPYVWZKXSNCMIT-UHFFFAOYSA-N -1 3 330.749 2.628 10 5 EFBEHM CN(C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(F)c1 ZINC001299306644 1265464537 /nfs/dbraw/zinc/46/45/37/1265464537.db2.gz QAJWSIYIULRIBP-UHFFFAOYSA-N -1 3 333.319 2.753 10 5 EFBEHM Cc1cccc(CO[N-]C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC001168634762 1260860175 /nfs/dbraw/zinc/86/01/75/1260860175.db2.gz UBYXNEYEGWUGEX-UHFFFAOYSA-N -1 3 335.747 2.742 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCS[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000921711874 1261253634 /nfs/dbraw/zinc/25/36/34/1261253634.db2.gz OIGXCNZLYDKXHK-UWVGGRQHSA-N -1 3 348.421 2.605 10 5 EFBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC001128217196 1263779985 /nfs/dbraw/zinc/77/99/85/1263779985.db2.gz UBZIBHGZPKAPLK-UHFFFAOYSA-N -1 3 347.718 2.889 10 5 EFBEHM CCc1ccc(-c2cc(C(=O)[N-]c3c([N+](=O)[O-])cnn3C)no2)cc1 ZINC001128322037 1264316331 /nfs/dbraw/zinc/31/63/31/1264316331.db2.gz URPFCBCJFIUVBF-UHFFFAOYSA-N -1 3 341.327 2.798 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1cc(-c2ccccc2Cl)on1 ZINC001128984124 1272482513 /nfs/dbraw/zinc/48/25/13/1272482513.db2.gz BKQHVQCQBQRGPA-UHFFFAOYSA-N -1 3 347.718 2.889 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc([C@H]2CCCO2)s1 ZINC001174755001 1287170759 /nfs/dbraw/zinc/17/07/59/1287170759.db2.gz RNMVGJWCXBLZDJ-SNVBAGLBSA-N -1 3 334.357 2.859 10 5 EFBEHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868522320 1304337867 /nfs/dbraw/zinc/33/78/67/1304337867.db2.gz FPRUONZBVWOXQL-SECBINFHSA-N -1 3 345.193 2.994 10 5 EFBEHM C[C@@](NC[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901933356 1311210460 /nfs/dbraw/zinc/21/04/60/1311210460.db2.gz ABJWUNSRWJNONI-CABZTGNLSA-N -1 3 333.171 2.678 10 5 EFBEHM O=C(Nc1cc(-n2cccc2)ccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001292562553 1322089290 /nfs/dbraw/zinc/08/92/90/1322089290.db2.gz OJVCCEWCAGSGCO-UHFFFAOYSA-N -1 3 342.286 2.878 10 5 EFBEHM O=C([N-]C1CC2(CC2(F)F)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC001333738633 1331205252 /nfs/dbraw/zinc/20/52/52/1331205252.db2.gz BLKXFZHOTGNXDF-UHFFFAOYSA-N -1 3 348.252 2.870 10 5 EFBEHM O=C([N-][C@H]1C[C@@H]2[C@H](C1)C2(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC001333741362 1331206275 /nfs/dbraw/zinc/20/62/75/1331206275.db2.gz PQQJDUUATJNQKD-FJPPDTINSA-N -1 3 348.252 2.726 10 5 EFBEHM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cncc(N2CCCC2)n1 ZINC001353336310 1334091883 /nfs/dbraw/zinc/09/18/83/1334091883.db2.gz CIDIGDNGJMSHDE-UHFFFAOYSA-N -1 3 349.297 2.516 10 5 EFBEHM COC(=O)/C=C\c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC001355005472 1334646753 /nfs/dbraw/zinc/64/67/53/1334646753.db2.gz WXFHZDQXGSAGMG-DAXSKMNVSA-N -1 3 334.259 2.765 10 5 EFBEHM Cc1cc(Cl)c(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1[N+](=O)[O-] ZINC001438693380 1388743227 /nfs/dbraw/zinc/74/32/27/1388743227.db2.gz ZAGNUXLZUZLWLG-UHFFFAOYSA-N -1 3 348.746 2.645 10 5 EFBEHM O=C(CCc1c(Cl)cccc1[N+](=O)[O-])[N-]OCc1cccnc1 ZINC001545920509 1389005591 /nfs/dbraw/zinc/00/55/91/1389005591.db2.gz LYMFQKPQAYAHKN-UHFFFAOYSA-N -1 3 335.747 2.824 10 5 EFBEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001439511851 1389301552 /nfs/dbraw/zinc/30/15/52/1389301552.db2.gz OEQXUIPPQXFLKR-NWDGAFQWSA-N -1 3 339.311 2.715 10 5 EFBEHM Cc1nc(NCc2ccc([O-])c(Br)c2)ncc1[N+](=O)[O-] ZINC001458266854 1395434338 /nfs/dbraw/zinc/43/43/38/1395434338.db2.gz ZNUJNUGDOCNRTC-UHFFFAOYSA-N -1 3 339.149 2.773 10 5 EFBEHM CCOc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001458596878 1395516424 /nfs/dbraw/zinc/51/64/24/1395516424.db2.gz CEKABYQSZNSEMB-UHFFFAOYSA-N -1 3 330.344 2.979 10 5 EFBEHM O=c1[n-]ccc(NCCc2nc(-c3ccccc3)c[nH]2)c1[N+](=O)[O-] ZINC001458601706 1395518779 /nfs/dbraw/zinc/51/87/79/1395518779.db2.gz KGEDAQXKXCKGEH-UHFFFAOYSA-N -1 3 325.328 2.740 10 5 EFBEHM CSc1cc(Cl)ccc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC001557448171 1415126525 /nfs/dbraw/zinc/12/65/25/1415126525.db2.gz IFUHADJINRUQQR-UHFFFAOYSA-N -1 3 326.765 2.956 10 5 EFBEHM O=C(NCc1ccc([O-])c(F)c1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357837 1415542497 /nfs/dbraw/zinc/54/24/97/1415542497.db2.gz NQIZLQQMUXEAJL-KBPBESRZSA-N -1 3 330.315 2.859 10 5 EFBEHM O=C([N-]c1nocc1C1CC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001583706990 1092060463 /nfs/dbraw/zinc/06/04/63/1092060463.db2.gz FMHLVYJAEWMXKI-UHFFFAOYSA-N -1 3 345.311 2.874 10 5 EFBEHM Cc1c(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cccc1[N+](=O)[O-] ZINC001586283932 1092718607 /nfs/dbraw/zinc/71/86/07/1092718607.db2.gz UUWOPHQWYSNXNE-UHFFFAOYSA-N -1 3 342.355 2.596 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(SC)ccc1[O-] ZINC001597364536 1094583691 /nfs/dbraw/zinc/58/36/91/1094583691.db2.gz LVMCIJXLPHAOIO-UHFFFAOYSA-N -1 3 348.380 2.961 10 5 EFBEHM O=[N+]([O-])c1c(NCCc2c(F)cc([O-])cc2F)nc2ccccn21 ZINC001612966693 1099086112 /nfs/dbraw/zinc/08/61/12/1099086112.db2.gz IFBSSTQTHPNSPB-UHFFFAOYSA-N -1 3 334.282 2.881 10 5 EFBEHM Cc1noc(Cc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)n1 ZINC001613004607 1099087064 /nfs/dbraw/zinc/08/70/64/1099087064.db2.gz JKRGMSQXGMECNE-UHFFFAOYSA-N -1 3 327.300 2.721 10 5 EFBEHM C[S@](=O)(=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001616893469 1099200891 /nfs/dbraw/zinc/20/08/91/1099200891.db2.gz MGSRKCFJJXZZAJ-XMMPIXPASA-N -1 3 344.352 2.768 10 5 EFBEHM Cc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc([N+](=O)[O-])c1 ZINC001617445590 1099239250 /nfs/dbraw/zinc/23/92/50/1099239250.db2.gz KXHHGHSJYGZLAC-UHFFFAOYSA-N -1 3 330.344 2.587 10 5 EFBEHM CCOc1nnc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[n-]1 ZINC001632531775 1100480344 /nfs/dbraw/zinc/48/03/44/1100480344.db2.gz QIBCHWOEVMYVNR-UHFFFAOYSA-N -1 3 333.329 2.579 10 5 EFBEHM CCOc1nc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n[n-]1 ZINC001632531775 1100480347 /nfs/dbraw/zinc/48/03/47/1100480347.db2.gz QIBCHWOEVMYVNR-UHFFFAOYSA-N -1 3 333.329 2.579 10 5 EFBEHM CCOc1n[n-]c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001632531775 1100480350 /nfs/dbraw/zinc/48/03/50/1100480350.db2.gz QIBCHWOEVMYVNR-UHFFFAOYSA-N -1 3 333.329 2.579 10 5 EFBEHM O=c1[n-]ccc(NCCNc2nc3ccccc3s2)c1[N+](=O)[O-] ZINC001639253350 1100930601 /nfs/dbraw/zinc/93/06/01/1100930601.db2.gz SDOHTUSIGJAINN-UHFFFAOYSA-N -1 3 331.357 2.829 10 5 EFBEHM O=[N+]([O-])c1cc(CO)c(NCCc2c(F)cc([O-])cc2F)cc1F ZINC001640449364 1101048537 /nfs/dbraw/zinc/04/85/37/1101048537.db2.gz IUDDOUWSLOPMTP-UHFFFAOYSA-N -1 3 342.273 2.865 10 5 EFBEHM Cc1cnc(OCc2nnc(-c3ccccc3[O-])o2)c([N+](=O)[O-])c1 ZINC001640955548 1101090969 /nfs/dbraw/zinc/09/09/69/1101090969.db2.gz SBJDHTCIICKEIN-UHFFFAOYSA-N -1 3 328.284 2.633 10 5 EFBEHM Cc1cccc(CO[N-]C(=O)CCCNc2ccc([N+](=O)[O-])cc2)n1 ZINC001641575049 1101147235 /nfs/dbraw/zinc/14/72/35/1101147235.db2.gz JGADDUXJZZDIOU-UHFFFAOYSA-N -1 3 344.371 2.738 10 5 EFBEHM CNc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])cc1[N+](=O)[O-] ZINC001641845041 1101169562 /nfs/dbraw/zinc/16/95/62/1101169562.db2.gz QSVANVITZRCUIE-UHFFFAOYSA-N -1 3 329.312 2.797 10 5 EFBEHM O=C(NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)c1ccc(O)cc1[O-] ZINC001642001200 1101181801 /nfs/dbraw/zinc/18/18/01/1101181801.db2.gz GCYBIVYMYNCIBU-UHFFFAOYSA-N -1 3 340.694 2.729 10 5 EFBEHM O=c1[n-]ccc(NCc2ccnc(OCC(F)(F)F)c2)c1[N+](=O)[O-] ZINC001642072614 1101187723 /nfs/dbraw/zinc/18/77/23/1101187723.db2.gz KOBUQMPDVPLZBZ-UHFFFAOYSA-N -1 3 344.249 2.644 10 5 EFBEHM CN(Cc1cc(-c2ccccc2)n[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001651504391 1101339455 /nfs/dbraw/zinc/33/94/55/1101339455.db2.gz KLVKARRAONEJMV-UHFFFAOYSA-N -1 3 325.328 2.722 10 5 EFBEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[n-]n1 ZINC001652733554 1101537924 /nfs/dbraw/zinc/53/79/24/1101537924.db2.gz PHMJYMGYBDOMNW-JTQLQIEISA-N -1 3 346.343 2.625 10 5 EFBEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)n[n-]1 ZINC001652733554 1101537935 /nfs/dbraw/zinc/53/79/35/1101537935.db2.gz PHMJYMGYBDOMNW-JTQLQIEISA-N -1 3 346.343 2.625 10 5 EFBEHM O=c1[n-]ccc(NC[C@H](O)c2cc(F)cc(Cl)c2)c1[N+](=O)[O-] ZINC001655440832 1101827753 /nfs/dbraw/zinc/82/77/53/1101827753.db2.gz SQVLVYQVFNIXLW-NSHDSACASA-N -1 3 327.699 2.633 10 5 EFBEHM CC(=O)CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001661972627 1103528930 /nfs/dbraw/zinc/52/89/30/1103528930.db2.gz BGPGOBIWEHZBPI-UHFFFAOYSA-N -1 3 348.808 2.676 10 5 EFBEHM COc1cc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c([N+](=O)[O-])cc1[O-] ZINC000914796297 1111380029 /nfs/dbraw/zinc/38/00/29/1111380029.db2.gz XXESQDYOPFKPQA-AWEZNQCLSA-N -1 3 349.730 2.817 10 5 EFBEHM CC[C@H](NCC(=O)[N-]OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181565140 529588961 /nfs/dbraw/zinc/58/89/61/529588961.db2.gz SSOAEBXGUHVAPE-KRWDZBQOSA-N -1 3 343.383 2.884 10 5 EFBEHM O=C([N-]c1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100037333 219088957 /nfs/dbraw/zinc/08/89/57/219088957.db2.gz QGVJNNLZUBBYJI-UHFFFAOYSA-N -1 3 332.228 2.664 10 5 EFBEHM Cc1c([N+](=O)[O-])cc(C(=O)[N-]c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101669342 219153639 /nfs/dbraw/zinc/15/36/39/219153639.db2.gz WAWCNVVWVQEWSG-UHFFFAOYSA-N -1 3 346.255 2.972 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000035134835 213009574 /nfs/dbraw/zinc/00/95/74/213009574.db2.gz GLJVJUFQYCFZBF-QMMMGPOBSA-N -1 3 330.749 2.881 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cncc(Cl)c2Cl)n1 ZINC000191702280 240004049 /nfs/dbraw/zinc/00/40/49/240004049.db2.gz OMCKBRWXKJRFAY-UHFFFAOYSA-N -1 3 330.131 2.765 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)=O)ccc2Cl)n1 ZINC000191672165 240000087 /nfs/dbraw/zinc/00/00/87/240000087.db2.gz GBVBEMUNPXGGJT-UHFFFAOYSA-N -1 3 336.735 2.920 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2NC2CC2)n1 ZINC000191834343 240009177 /nfs/dbraw/zinc/00/91/77/240009177.db2.gz TYSXAGMTXSDQHE-UHFFFAOYSA-N -1 3 333.323 2.777 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1F ZINC000021631915 212235230 /nfs/dbraw/zinc/23/52/30/212235230.db2.gz VJHMPEUXJGFGHM-UHFFFAOYSA-N -1 3 344.295 2.682 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)c(C)cc1[N+](=O)[O-] ZINC000414459512 244172629 /nfs/dbraw/zinc/17/26/29/244172629.db2.gz ZWCBQBJIFHWHLI-UHFFFAOYSA-N -1 3 340.323 2.831 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000078492268 217061906 /nfs/dbraw/zinc/06/19/06/217061906.db2.gz ZVEDVMCKTPVSEN-JTQLQIEISA-N -1 3 340.357 2.544 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000422126083 246264238 /nfs/dbraw/zinc/26/42/38/246264238.db2.gz WEAMARNTPCYSGL-UHTWSYAYSA-N -1 3 326.356 2.782 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)CC(C)C ZINC000433761221 248086529 /nfs/dbraw/zinc/08/65/29/248086529.db2.gz YWPPZLFGLDTHMU-UHFFFAOYSA-N -1 3 344.433 2.954 10 5 EFBEHM CCCn1c(=O)[n-]nc1SCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000434809431 248190368 /nfs/dbraw/zinc/19/03/68/248190368.db2.gz OOMPPOZMNJOILU-UHFFFAOYSA-N -1 3 335.345 2.735 10 5 EFBEHM O=C([O-])[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCc2c1cccc2F ZINC000340675654 304214419 /nfs/dbraw/zinc/21/44/19/304214419.db2.gz HDRYEZPGWWPPPX-KRWDZBQOSA-N -1 3 330.315 2.750 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(Cl)cc3s2)n1 ZINC000344589053 142045288 /nfs/dbraw/zinc/04/52/88/142045288.db2.gz JAXCMYDNSHREJB-UHFFFAOYSA-N -1 3 337.748 2.844 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)cs2)n1 ZINC000344599907 142046521 /nfs/dbraw/zinc/04/65/21/142046521.db2.gz AOLFVKHHYFHUBD-UHFFFAOYSA-N -1 3 335.370 2.766 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)n1 ZINC000344611456 142048746 /nfs/dbraw/zinc/04/87/46/142048746.db2.gz XERSDYFPKTUHDN-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCC2(F)CCC2)c1[N+](=O)[O-] ZINC000344931514 142099278 /nfs/dbraw/zinc/09/92/78/142099278.db2.gz LNPVTJQAMVIPLO-UHFFFAOYSA-N -1 3 330.381 2.772 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000342504335 145139729 /nfs/dbraw/zinc/13/97/29/145139729.db2.gz DHNWBZWIRXUGBK-MRVPVSSYSA-N -1 3 340.373 2.821 10 5 EFBEHM CSc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000352986259 146367446 /nfs/dbraw/zinc/36/74/46/146367446.db2.gz JAIGNNCCQSCEFC-GFCCVEGCSA-N -1 3 348.384 2.566 10 5 EFBEHM CC(C)c1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000352990825 146368540 /nfs/dbraw/zinc/36/85/40/146368540.db2.gz OMKCTGRJRWPIOZ-HNNXBMFYSA-N -1 3 344.371 2.967 10 5 EFBEHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000352991515 146369093 /nfs/dbraw/zinc/36/90/93/146369093.db2.gz OPECBDRWNRMCHL-CQSZACIVSA-N -1 3 344.371 2.508 10 5 EFBEHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000283071022 273664289 /nfs/dbraw/zinc/66/42/89/273664289.db2.gz KMWOVXHNVAFWHP-UHFFFAOYSA-N -1 3 348.338 2.665 10 5 EFBEHM COc1cc(C(=O)[N-]c2cc(C)nc3ccc([N+](=O)[O-])cc23)on1 ZINC000161795118 274091827 /nfs/dbraw/zinc/09/18/27/274091827.db2.gz XDDOVNUHRWQGDM-UHFFFAOYSA-N -1 3 328.284 2.700 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000479994327 313277947 /nfs/dbraw/zinc/27/79/47/313277947.db2.gz JWICYFOKWYWBOW-UXBLZVDNSA-N -1 3 332.381 2.895 10 5 EFBEHM O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccc([N+](=O)[O-])cn1 ZINC000531898131 317329723 /nfs/dbraw/zinc/32/97/23/317329723.db2.gz QCZOLOXRXHHHLC-UHFFFAOYSA-N -1 3 327.218 2.967 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCc2ccccn2)c1[N+](=O)[O-] ZINC000190080530 533707892 /nfs/dbraw/zinc/70/78/92/533707892.db2.gz OFGJMMFEXWMZHX-UHFFFAOYSA-N -1 3 349.412 2.518 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3ccc(C)cc3s2)n1 ZINC000138490794 473220065 /nfs/dbraw/zinc/22/00/65/473220065.db2.gz ASWQQJDBVIHWGZ-UHFFFAOYSA-N -1 3 331.357 2.982 10 5 EFBEHM Cn1nc([N-]c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1C1CC1 ZINC000601166144 468767463 /nfs/dbraw/zinc/76/74/63/468767463.db2.gz JYKIINMKMRCBKT-UHFFFAOYSA-N -1 3 330.270 2.702 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000016088072 471926001 /nfs/dbraw/zinc/92/60/01/471926001.db2.gz BKVXBUPKETULGU-SECBINFHSA-N -1 3 342.323 2.913 10 5 EFBEHM O=C([N-]c1nc2c(s1)C(=O)CCC2)c1ccc([N+](=O)[O-])cc1F ZINC000068002621 472121032 /nfs/dbraw/zinc/12/10/32/472121032.db2.gz OKKYYEYQWFIBKI-UHFFFAOYSA-N -1 3 335.316 2.962 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2)c(Cl)c1 ZINC000055942040 472261942 /nfs/dbraw/zinc/26/19/42/472261942.db2.gz HVTVEQUCOHGRHM-UHFFFAOYSA-N -1 3 340.788 2.769 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccccc1 ZINC000030493453 472334446 /nfs/dbraw/zinc/33/44/46/472334446.db2.gz BRBAZDWFZWDAFL-LLVKDONJSA-N -1 3 336.369 2.643 10 5 EFBEHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069450659 472346007 /nfs/dbraw/zinc/34/60/07/472346007.db2.gz CBKCTQINEFQLFK-SECBINFHSA-N -1 3 349.368 2.626 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000057011531 472373869 /nfs/dbraw/zinc/37/38/69/472373869.db2.gz QEYJFWGUGNTIME-RYUDHWBXSA-N -1 3 342.417 2.708 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1OCC(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000031673995 472388285 /nfs/dbraw/zinc/38/82/85/472388285.db2.gz MPPPKGYKGVQJHZ-UHFFFAOYSA-N -1 3 349.343 2.906 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000032405668 472430283 /nfs/dbraw/zinc/43/02/83/472430283.db2.gz UFDDVCSHCWXNOT-SECBINFHSA-N -1 3 342.398 2.704 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1C ZINC000120055956 472624062 /nfs/dbraw/zinc/62/40/62/472624062.db2.gz JLWZNBIQAFZMES-CYBMUJFWSA-N -1 3 348.380 2.624 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000159966559 473077214 /nfs/dbraw/zinc/07/72/14/473077214.db2.gz YKZKLFFSNOFRET-NSHDSACASA-N -1 3 341.414 2.789 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1nccs1 ZINC000159966659 473077391 /nfs/dbraw/zinc/07/73/91/473077391.db2.gz YKZKLFFSNOFRET-LLVKDONJSA-N -1 3 341.414 2.789 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000173283415 473793775 /nfs/dbraw/zinc/79/37/75/473793775.db2.gz GISPGXMOUUGKQF-LLVKDONJSA-N -1 3 342.417 2.851 10 5 EFBEHM Cn1cc(-c2oncc2C(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000225495968 474218508 /nfs/dbraw/zinc/21/85/08/474218508.db2.gz HSVPEWCZMDARJD-UHFFFAOYSA-N -1 3 347.718 2.889 10 5 EFBEHM C[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000291625068 474634847 /nfs/dbraw/zinc/63/48/47/474634847.db2.gz HFTLQSAPBVTYGP-WBMJQRKESA-N -1 3 343.383 2.722 10 5 EFBEHM COc1cc(CNc2cc(C)n([C@@H](C)C3CC3)n2)c([N+](=O)[O-])cc1[O-] ZINC000344355382 474681118 /nfs/dbraw/zinc/68/11/18/474681118.db2.gz LAADIDJYUSACTC-NSHDSACASA-N -1 3 346.387 2.819 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CCCC3(C)C)n1 ZINC000291811595 474698888 /nfs/dbraw/zinc/69/88/88/474698888.db2.gz HNRCTAZSKNPSSS-UHFFFAOYSA-N -1 3 335.389 2.651 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C2CC(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000339019733 474840526 /nfs/dbraw/zinc/84/05/26/474840526.db2.gz AEIFGMVWZQQXKR-UHFFFAOYSA-N -1 3 342.417 2.706 10 5 EFBEHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000292300122 474948385 /nfs/dbraw/zinc/94/83/85/474948385.db2.gz VSRUCDVENNGSJH-CYBMUJFWSA-N -1 3 343.383 2.551 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)C(F)(F)F ZINC000345645224 475332085 /nfs/dbraw/zinc/33/20/85/475332085.db2.gz UPAVSNPAUKNCIR-JTQLQIEISA-N -1 3 326.296 2.522 10 5 EFBEHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000345616303 475309397 /nfs/dbraw/zinc/30/93/97/475309397.db2.gz WFZCPGHZIZRPSR-NSHDSACASA-N -1 3 340.323 2.768 10 5 EFBEHM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000360888368 476456493 /nfs/dbraw/zinc/45/64/93/476456493.db2.gz LWELSWBSXOZROJ-MNOVXSKESA-N -1 3 330.406 2.706 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)c(F)c1 ZINC000362913223 476477760 /nfs/dbraw/zinc/47/77/60/476477760.db2.gz QCANEEOWQPBIAK-SRHKJQAYSA-N -1 3 328.365 2.591 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3ccc(F)cc3)s2)n1 ZINC000432226819 477180488 /nfs/dbraw/zinc/18/04/88/477180488.db2.gz QAXAKSDYVDCAMJ-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432759686 477259977 /nfs/dbraw/zinc/25/99/77/477259977.db2.gz SXMUMVNZHIBYNY-UHFFFAOYSA-N -1 3 335.385 2.770 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(F)c1 ZINC000434778815 477340343 /nfs/dbraw/zinc/34/03/43/477340343.db2.gz YASAJQBTTZYKDL-UHFFFAOYSA-N -1 3 328.365 2.735 10 5 EFBEHM Cc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)c([O-])c1C ZINC000436941494 477642591 /nfs/dbraw/zinc/64/25/91/477642591.db2.gz DGDORDCHIPOKGP-UHFFFAOYSA-N -1 3 326.312 2.953 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C12CCC(CC1)CC2 ZINC000451082560 477814157 /nfs/dbraw/zinc/81/41/57/477814157.db2.gz GQJJMIYSSZWYAV-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM CC(C)(C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1[N+](=O)[O-] ZINC000451326111 477954572 /nfs/dbraw/zinc/95/45/72/477954572.db2.gz BSGFGYZMHDZQTH-AWEZNQCLSA-N -1 3 344.371 2.508 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-]C(C)(C)C2CCC2)cc1[N+](=O)[O-] ZINC000451862134 478226878 /nfs/dbraw/zinc/22/68/78/478226878.db2.gz GKKNCPOCZCGDJM-UHFFFAOYSA-N -1 3 346.380 2.600 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594488184 478407386 /nfs/dbraw/zinc/40/73/86/478407386.db2.gz QBTCVNMJMIARGD-TZMCWYRMSA-N -1 3 342.417 2.529 10 5 EFBEHM COc1cc(CNC[C@@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1[O-] ZINC000594520795 478424330 /nfs/dbraw/zinc/42/43/30/478424330.db2.gz BUKUBDBCFBDFDB-ZDUSSCGKSA-N -1 3 336.388 2.890 10 5 EFBEHM O=C([O-])[C@@H]1c2ccoc2CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000600674474 478464171 /nfs/dbraw/zinc/46/41/71/478464171.db2.gz NJIROBUXAQPOQP-INIZCTEOSA-N -1 3 346.339 2.641 10 5 EFBEHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000594812358 478548470 /nfs/dbraw/zinc/54/84/70/478548470.db2.gz BTPUUXZPPFKMKP-SNVBAGLBSA-N -1 3 330.406 2.706 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C)c2cscn2)c1[N+](=O)[O-] ZINC000594819127 478551862 /nfs/dbraw/zinc/55/18/62/478551862.db2.gz TUZQAXPONRJPNN-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM CCOC(=O)c1[n-]c(C)nc1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000571256380 478552185 /nfs/dbraw/zinc/55/21/85/478552185.db2.gz HRENQMUBNOMPSD-UHFFFAOYSA-N -1 3 346.343 2.618 10 5 EFBEHM CCOC(=O)c1nc(C)[n-]c1NC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000571256380 478552188 /nfs/dbraw/zinc/55/21/88/478552188.db2.gz HRENQMUBNOMPSD-UHFFFAOYSA-N -1 3 346.343 2.618 10 5 EFBEHM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000594834190 478556320 /nfs/dbraw/zinc/55/63/20/478556320.db2.gz RYLJVQBZRPMSOH-SMDDNHRTSA-N -1 3 332.381 2.602 10 5 EFBEHM O=[N+]([O-])c1cc2c(nc1[N-]c1cnn(C[C@@H]3CCCO3)c1)CCCC2 ZINC000591901820 478685913 /nfs/dbraw/zinc/68/59/13/478685913.db2.gz ZSRIQMLHCIQNQN-AWEZNQCLSA-N -1 3 343.387 2.988 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)c1[N+](=O)[O-] ZINC000595350618 478742741 /nfs/dbraw/zinc/74/27/41/478742741.db2.gz GDWPRARDSKBNQB-SNVBAGLBSA-N -1 3 348.371 2.781 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c1C ZINC000595350408 478743021 /nfs/dbraw/zinc/74/30/21/478743021.db2.gz CMIYYSFAUJXFKA-NSHDSACASA-N -1 3 348.371 2.781 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCc2cccs2)c([N+](=O)[O-])s1 ZINC000601289398 478767803 /nfs/dbraw/zinc/76/78/03/478767803.db2.gz MZTVRROXFKQKHT-UHFFFAOYSA-N -1 3 332.428 2.547 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]CC2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000592102887 478777533 /nfs/dbraw/zinc/77/75/33/478777533.db2.gz IRDPMVHZWJRJCG-UHFFFAOYSA-N -1 3 336.410 2.771 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCCOC2CCCC2)c([N+](=O)[O-])s1 ZINC000601326504 478789520 /nfs/dbraw/zinc/78/95/20/478789520.db2.gz OMMKQFXFQYOSPM-UHFFFAOYSA-N -1 3 348.446 2.592 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])s1 ZINC000601391050 478816157 /nfs/dbraw/zinc/81/61/57/478816157.db2.gz MLOFPEKCDHIQFH-SNVBAGLBSA-N -1 3 348.446 2.589 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c([N+](=O)[O-])s1 ZINC000601433915 478831427 /nfs/dbraw/zinc/83/14/27/478831427.db2.gz KTCIPWJCVBYHPR-UHFFFAOYSA-N -1 3 340.373 2.678 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601452609 478839431 /nfs/dbraw/zinc/83/94/31/478839431.db2.gz LFHAEXLNTDAUMX-AOOOYVTPSA-N -1 3 348.446 2.589 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601460735 478843596 /nfs/dbraw/zinc/84/35/96/478843596.db2.gz LFHAEXLNTDAUMX-MGCOHNPYSA-N -1 3 348.446 2.589 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000601460594 478843776 /nfs/dbraw/zinc/84/37/76/478843776.db2.gz JQCCXLMCWATAGB-GHMZBOCLSA-N -1 3 348.446 2.591 10 5 EFBEHM CCSC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601468261 478846338 /nfs/dbraw/zinc/84/63/38/478846338.db2.gz MWHYVACEKIIGDZ-UHFFFAOYSA-N -1 3 336.460 2.529 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)c([N+](=O)[O-])s1 ZINC000601475276 478848141 /nfs/dbraw/zinc/84/81/41/478848141.db2.gz XWQCLMGWMJHAOP-VHSXEESVSA-N -1 3 344.439 2.861 10 5 EFBEHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCCO1 ZINC000598683084 478968527 /nfs/dbraw/zinc/96/85/27/478968527.db2.gz VSZZFGKCPAAGPH-IAQYHMDHSA-N -1 3 344.371 2.551 10 5 EFBEHM COc1cc(CN[C@H]2COc3cccc(C)c3C2)c([N+](=O)[O-])cc1[O-] ZINC000598988124 479116207 /nfs/dbraw/zinc/11/62/07/479116207.db2.gz WTHOCDZVNOXJNV-CYBMUJFWSA-N -1 3 344.367 2.711 10 5 EFBEHM O=c1[n-]ccc(N2CCC(Oc3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000596127623 479152541 /nfs/dbraw/zinc/15/25/41/479152541.db2.gz BLEDCSVCZAJVLY-UHFFFAOYSA-N -1 3 333.319 2.882 10 5 EFBEHM CCc1cc([N-]C(=O)c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000610913052 479231966 /nfs/dbraw/zinc/23/19/66/479231966.db2.gz MQQNQWXSWRWHCZ-UHFFFAOYSA-N -1 3 340.133 2.582 10 5 EFBEHM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)[N-]c1cnoc1 ZINC000585698345 479313017 /nfs/dbraw/zinc/31/30/17/479313017.db2.gz HADKAQVZQPPFSJ-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2csc(-c3ccccc3)n2)n1 ZINC000588079287 479390566 /nfs/dbraw/zinc/39/05/66/479390566.db2.gz JZUQLMMKCPMLIS-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631574 479416019 /nfs/dbraw/zinc/41/60/19/479416019.db2.gz ONMMXWCLXCIXKJ-YPMHNXCESA-N -1 3 342.417 2.851 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(C)cc(C)c3o2)n1 ZINC000617380265 480195187 /nfs/dbraw/zinc/19/51/87/480195187.db2.gz NSQLCGRMMKWKMO-UHFFFAOYSA-N -1 3 329.316 2.822 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccnc3)cs2)n1 ZINC000191459035 523484698 /nfs/dbraw/zinc/48/46/98/523484698.db2.gz LPVQWSAQBKLCCO-UHFFFAOYSA-N -1 3 344.356 2.582 10 5 EFBEHM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(C)c1 ZINC000066000949 524589060 /nfs/dbraw/zinc/58/90/60/524589060.db2.gz ZNPZKHYTWGJQMZ-UHFFFAOYSA-N -1 3 326.399 2.752 10 5 EFBEHM CCOc1ccc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2c1 ZINC000344610560 535445384 /nfs/dbraw/zinc/44/53/84/535445384.db2.gz WPFABBNFJNVYCH-UHFFFAOYSA-N -1 3 347.356 2.589 10 5 EFBEHM CC[C@H](C)N[C@@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000359556262 536172816 /nfs/dbraw/zinc/17/28/16/536172816.db2.gz LVCNWRHBYMNWFZ-FZMZJTMJSA-N -1 3 347.371 2.753 10 5 EFBEHM COC(=O)c1cc(C(=O)[N-]c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)no1 ZINC000356732488 536877461 /nfs/dbraw/zinc/87/74/61/536877461.db2.gz KAEAIDBGEHJRQH-UHFFFAOYSA-N -1 3 347.327 2.919 10 5 EFBEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000755640443 575612208 /nfs/dbraw/zinc/61/22/08/575612208.db2.gz USEHQVIGCOBHQO-UHFFFAOYSA-N -1 3 331.719 2.852 10 5 EFBEHM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cs1 ZINC000768861833 577311257 /nfs/dbraw/zinc/31/12/57/577311257.db2.gz LSRCBCOAHIFEFQ-SSDOTTSWSA-N -1 3 326.346 2.513 10 5 EFBEHM COc1cc(CN[C@H]2C[C@@H](O)c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000850371456 1250452492 /nfs/dbraw/zinc/45/24/92/1250452492.db2.gz JVNZALLKDDDPES-DZGCQCFKSA-N -1 3 330.340 2.577 10 5 EFBEHM O=C(Nc1cc(F)c(F)c(F)c1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001649095508 1258361994 /nfs/dbraw/zinc/36/19/94/1258361994.db2.gz NTUIOJLSSWRNLW-UHFFFAOYSA-N -1 3 331.181 2.504 10 5 EFBEHM O=[N+]([O-])c1cc2c(nc1NCc1nc(C(F)(F)F)n[n-]1)CCCC2 ZINC000825952548 1291187472 /nfs/dbraw/zinc/18/74/72/1291187472.db2.gz CBMMFRODRXEWAM-UHFFFAOYSA-N -1 3 342.281 2.618 10 5 EFBEHM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](C1)[C@H]2C(=O)[O-] ZINC000903627572 1312968970 /nfs/dbraw/zinc/96/89/70/1312968970.db2.gz NCGLMHYCFYOWFU-LZWOXQAQSA-N -1 3 334.372 2.535 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903948267 1313472031 /nfs/dbraw/zinc/47/20/31/1313472031.db2.gz CPKHSDAHSDXHFI-LGSVPQMISA-N -1 3 336.388 2.923 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]1C ZINC000903948266 1313472143 /nfs/dbraw/zinc/47/21/43/1313472143.db2.gz CPKHSDAHSDXHFI-BUWBCJGYSA-N -1 3 336.388 2.923 10 5 EFBEHM CN(C)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c1 ZINC000800928135 1308689527 /nfs/dbraw/zinc/68/95/27/1308689527.db2.gz ITCPYAHWBBYSQT-UHFFFAOYSA-N -1 3 339.348 2.601 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001160496341 1311722026 /nfs/dbraw/zinc/72/20/26/1311722026.db2.gz PPHVUXGFZXKSPG-UHFFFAOYSA-N -1 3 330.296 2.898 10 5 EFBEHM CC(=O)c1c(C)cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1C ZINC001161769935 1311969038 /nfs/dbraw/zinc/96/90/38/1311969038.db2.gz ZSZOBVCOAGXLFX-UHFFFAOYSA-N -1 3 329.312 2.767 10 5 EFBEHM Cc1ccccc1-c1nc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])no1 ZINC001163127343 1312246076 /nfs/dbraw/zinc/24/60/76/1312246076.db2.gz MQPWAEWMHTVQHX-UHFFFAOYSA-N -1 3 327.300 2.666 10 5 EFBEHM Cc1cccc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC001288070798 1321598575 /nfs/dbraw/zinc/59/85/75/1321598575.db2.gz JMMSBVGFNFHFFT-SNVBAGLBSA-N -1 3 334.357 2.859 10 5 EFBEHM Cc1nc([N-]C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n[nH]1 ZINC001292792739 1322122564 /nfs/dbraw/zinc/12/25/64/1322122564.db2.gz PWMBSHCGLFCDEW-UHFFFAOYSA-N -1 3 334.094 2.720 10 5 EFBEHM Cc1c[nH]c(-c2ccccc2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC001294857404 1322583142 /nfs/dbraw/zinc/58/31/42/1322583142.db2.gz QMPHDSKSQPSTNF-UHFFFAOYSA-N -1 3 339.311 2.646 10 5 EFBEHM Cc1cc(=O)[n-]c(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)n1 ZINC001307157501 1324746271 /nfs/dbraw/zinc/74/62/71/1324746271.db2.gz WTNINUFRPUYZLA-UHFFFAOYSA-N -1 3 326.259 2.612 10 5 EFBEHM CN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC001324911899 1329658935 /nfs/dbraw/zinc/65/89/35/1329658935.db2.gz AJEUFFXESOYMQB-WMZOPIPTSA-N -1 3 345.374 2.975 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C2CC3(CC3(F)F)C2)c1[N+](=O)[O-] ZINC001327402765 1330473290 /nfs/dbraw/zinc/47/32/90/1330473290.db2.gz JNMWKOVSJPWELK-UHFFFAOYSA-N -1 3 346.355 2.678 10 5 EFBEHM COC(=O)c1oc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC)cc1C ZINC001350445455 1333083507 /nfs/dbraw/zinc/08/35/07/1333083507.db2.gz ZQAIECMUAOXTIG-UHFFFAOYSA-N -1 3 334.284 2.544 10 5 EFBEHM COC(=O)c1sc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])nc1C ZINC001355870711 1334892662 /nfs/dbraw/zinc/89/26/62/1334892662.db2.gz DTLVVPXAOAYUMI-UHFFFAOYSA-N -1 3 339.304 2.538 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccc([N+](=O)[O-])cc3F)CC2)n1 ZINC001458653657 1395541877 /nfs/dbraw/zinc/54/18/77/1395541877.db2.gz IDBXOQSSMUGPME-UHFFFAOYSA-N -1 3 347.350 2.619 10 5 EFBEHM Nc1c(Cl)cc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-] ZINC001466631422 1396766802 /nfs/dbraw/zinc/76/68/02/1396766802.db2.gz MDXIXVNJCXBBNN-UHFFFAOYSA-N -1 3 325.683 2.927 10 5 EFBEHM CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2n[n-]nc21 ZINC001468234521 1396936241 /nfs/dbraw/zinc/93/62/41/1396936241.db2.gz DCBXAMUFUCWXRO-UHFFFAOYSA-N -1 3 340.343 2.939 10 5 EFBEHM Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c1 ZINC001472109129 1397249689 /nfs/dbraw/zinc/24/96/89/1397249689.db2.gz HSGFWFDWQQDHBB-SSDOTTSWSA-N -1 3 343.265 2.531 10 5 EFBEHM COc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c([N+](=O)[O-])cc1F ZINC001556723126 1415084698 /nfs/dbraw/zinc/08/46/98/1415084698.db2.gz RYFAUTDUFVRTMA-UHFFFAOYSA-N -1 3 346.274 2.577 10 5 EFBEHM C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc([N+](=O)[O-])cc1 ZINC001558303452 1415171457 /nfs/dbraw/zinc/17/14/57/1415171457.db2.gz QJFCWPYBYORGJI-SECBINFHSA-N -1 3 330.296 2.520 10 5 EFBEHM COC(=O)N(C)Cc1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001559104066 1415224317 /nfs/dbraw/zinc/22/43/17/1415224317.db2.gz XFVKDHAJJFFOPO-UHFFFAOYSA-N -1 3 332.316 2.637 10 5 EFBEHM O=c1cc([C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227503 1415231622 /nfs/dbraw/zinc/23/16/22/1415231622.db2.gz RWOHQSJRXFTJLF-LLVKDONJSA-N -1 3 325.328 2.566 10 5 EFBEHM Cc1ccc(NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)c([N+](=O)[O-])c1 ZINC001559290095 1415237246 /nfs/dbraw/zinc/23/72/46/1415237246.db2.gz SHAZPEGPNAZQHY-UHFFFAOYSA-N -1 3 343.387 2.788 10 5 EFBEHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1ccccc1[N+](=O)[O-] ZINC001698984643 1417360500 /nfs/dbraw/zinc/36/05/00/1417360500.db2.gz PPODGVNXBUPMNQ-UHFFFAOYSA-N -1 3 343.383 2.504 10 5 EFBEHM O=C([N-]c1ccc(F)c(Br)c1F)c1n[nH]cc1[N+](=O)[O-] ZINC001646432527 1087769120 /nfs/dbraw/zinc/76/91/20/1087769120.db2.gz ZZMCNKZJRAKGKV-UHFFFAOYSA-N -1 3 347.075 2.611 10 5 EFBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])[N-]OCCOc1ccccc1 ZINC001647918484 1089909640 /nfs/dbraw/zinc/90/96/40/1089909640.db2.gz NXSADTPRNCJRHH-UHFFFAOYSA-N -1 3 348.330 2.793 10 5 EFBEHM CCOC(=O)c1cc(C(=O)[N-]c2nocc2C2CC2)cc([N+](=O)[O-])c1 ZINC001583703279 1092058936 /nfs/dbraw/zinc/05/89/36/1092058936.db2.gz MUSYZAUMTIQUBA-UHFFFAOYSA-N -1 3 345.311 2.889 10 5 EFBEHM O=C([N-]C1(c2ccccc2)COC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001585356587 1092460047 /nfs/dbraw/zinc/46/00/47/1092460047.db2.gz OFASWPCFDNHDHA-UHFFFAOYSA-N -1 3 348.305 2.729 10 5 EFBEHM Nc1nccc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c1[N+](=O)[O-] ZINC001650971668 1093514124 /nfs/dbraw/zinc/51/41/24/1093514124.db2.gz NIKHHCATWRDBHA-UHFFFAOYSA-N -1 3 343.274 2.618 10 5 EFBEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC001651187277 1093536870 /nfs/dbraw/zinc/53/68/70/1093536870.db2.gz RMBFOGFMJQSEOT-MNOVXSKESA-N -1 3 330.344 2.771 10 5 EFBEHM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC001597626080 1094607221 /nfs/dbraw/zinc/60/72/21/1094607221.db2.gz GPIOSIRXIZXTOI-UHFFFAOYSA-N -1 3 330.315 2.880 10 5 EFBEHM COC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(Cl)cc2C)no1 ZINC001126243674 1094907879 /nfs/dbraw/zinc/90/78/79/1094907879.db2.gz XDIJLOQNQYJFSP-UHFFFAOYSA-N -1 3 339.691 2.584 10 5 EFBEHM O=C(OCc1noc(-c2ccccc2[O-])n1)c1csc([N+](=O)[O-])c1 ZINC000783025697 1095314251 /nfs/dbraw/zinc/31/42/51/1095314251.db2.gz SANAHGSPGRYKSC-UHFFFAOYSA-N -1 3 347.308 2.769 10 5 EFBEHM O=C(Nc1ccc([O-])cc1F)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001623758455 1099622158 /nfs/dbraw/zinc/62/21/58/1099622158.db2.gz JTKDQOHRSXVWRQ-UHFFFAOYSA-N -1 3 348.286 2.853 10 5 EFBEHM CC(C)c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1[N+](=O)[O-] ZINC001624725697 1099723464 /nfs/dbraw/zinc/72/34/64/1099723464.db2.gz LLRLAUWFMMGSJJ-UHFFFAOYSA-N -1 3 342.355 2.807 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001624739752 1099724798 /nfs/dbraw/zinc/72/47/98/1099724798.db2.gz DLQXLADRTYBSLL-KBPBESRZSA-N -1 3 338.323 2.919 10 5 EFBEHM COC(=O)c1c(F)ccc(F)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC001626359146 1099865343 /nfs/dbraw/zinc/86/53/43/1099865343.db2.gz AOQAULXDHGUMLJ-UHFFFAOYSA-N -1 3 342.279 2.973 10 5 EFBEHM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(CC)on2)cc1OC ZINC001628106891 1100062556 /nfs/dbraw/zinc/06/25/56/1100062556.db2.gz RGBUTDHIADBQSZ-UHFFFAOYSA-N -1 3 335.316 2.805 10 5 EFBEHM CC(C)N1CCC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC001632478595 1100477476 /nfs/dbraw/zinc/47/74/76/1100477476.db2.gz ZYSFQISBQGKCLY-NSHDSACASA-N -1 3 341.795 2.556 10 5 EFBEHM CC(C)Oc1cc(F)ccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001632913387 1100508530 /nfs/dbraw/zinc/50/85/30/1100508530.db2.gz KLBPOYPFMUBKCX-UHFFFAOYSA-N -1 3 335.291 2.874 10 5 EFBEHM Cc1ncoc1-c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001635289040 1100653266 /nfs/dbraw/zinc/65/32/66/1100653266.db2.gz XEYFQJCUVGKNQE-UHFFFAOYSA-N -1 3 340.295 2.911 10 5 EFBEHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001636187451 1100705497 /nfs/dbraw/zinc/70/54/97/1100705497.db2.gz VNMQNMMBWCNNQM-UHFFFAOYSA-N -1 3 344.302 2.887 10 5 EFBEHM CC(C)Oc1nc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001640412376 1101044476 /nfs/dbraw/zinc/04/44/76/1101044476.db2.gz YKMSEZVUCHKZJE-UHFFFAOYSA-N -1 3 345.359 2.762 10 5 EFBEHM O=C(Nc1cc([O-])cc(Br)c1)c1ccc([N+](=O)[O-])o1 ZINC001640655382 1101069216 /nfs/dbraw/zinc/06/92/16/1101069216.db2.gz IDKCKZKMSDMBDV-UHFFFAOYSA-N -1 3 327.090 2.908 10 5 EFBEHM CCc1[nH]nc(C(=O)[N-]c2cscc2Br)c1[N+](=O)[O-] ZINC001641578088 1101148646 /nfs/dbraw/zinc/14/86/46/1101148646.db2.gz LTVZHFFOQIZHTK-UHFFFAOYSA-N -1 3 345.178 2.957 10 5 EFBEHM Cc1ccnc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC001651509449 1101339800 /nfs/dbraw/zinc/33/98/00/1101339800.db2.gz KJNDFHLYCWPIHZ-HAQNSBGRSA-N -1 3 329.360 2.932 10 5 EFBEHM C[Si](C)(C)c1ccc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001652054705 1101426213 /nfs/dbraw/zinc/42/62/13/1101426213.db2.gz GRRKVTGLACXZIP-UHFFFAOYSA-N -1 3 331.448 2.895 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC001654689468 1101747410 /nfs/dbraw/zinc/74/74/10/1101747410.db2.gz WVDZSLKXDQTMQQ-UHFFFAOYSA-N -1 3 330.319 2.623 10 5 EFBEHM COc1cccc2[nH]cc(CCNc3cc[n-]c(=O)c3[N+](=O)[O-])c21 ZINC001655840554 1101901062 /nfs/dbraw/zinc/90/10/62/1101901062.db2.gz YBYRBPLUMZWXKF-UHFFFAOYSA-N -1 3 328.328 2.840 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC001272506317 1108577720 /nfs/dbraw/zinc/57/77/20/1108577720.db2.gz NOZCYXHDWYFLSO-UHFFFAOYSA-N -1 3 347.718 2.889 10 5 EFBEHM O=[N+]([O-])c1ccc(NCc2ncccc2[O-])nc1-c1ccc(F)cc1 ZINC000362359117 285109183 /nfs/dbraw/zinc/10/91/83/285109183.db2.gz MHRZKNFVBWQZEX-UHFFFAOYSA-N -1 3 340.314 2.931 10 5 EFBEHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1csc([N+](=O)[O-])c1 ZINC000339972597 141723119 /nfs/dbraw/zinc/72/31/19/141723119.db2.gz JWKMNPDTBANIRV-UHFFFAOYSA-N -1 3 341.370 2.539 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(Cc3ccccc3)cs2)n1 ZINC000343519891 142011356 /nfs/dbraw/zinc/01/13/56/142011356.db2.gz KYVPICBPHMNOGW-UHFFFAOYSA-N -1 3 343.368 2.628 10 5 EFBEHM Cc1ccc([O-])c(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000345930281 142119737 /nfs/dbraw/zinc/11/97/37/142119737.db2.gz PHMBSNNHIIXNPX-UHFFFAOYSA-N -1 3 339.254 2.858 10 5 EFBEHM CCOc1cc([N-]C(=O)c2nccc(C)n2)c([N+](=O)[O-])cc1OCC ZINC000347992649 142305063 /nfs/dbraw/zinc/30/50/63/142305063.db2.gz QDLFNNJEPUTGHJ-UHFFFAOYSA-N -1 3 346.343 2.743 10 5 EFBEHM COc1cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc2cccnc21 ZINC000341155648 145003212 /nfs/dbraw/zinc/00/32/12/145003212.db2.gz ANRONCSBPGNMAP-UHFFFAOYSA-N -1 3 340.295 2.505 10 5 EFBEHM COc1cc(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])cc(OC)c1[O-] ZINC000342455497 145130316 /nfs/dbraw/zinc/13/03/16/145130316.db2.gz CWWNZOUDUITUJN-SNVBAGLBSA-N -1 3 346.339 2.809 10 5 EFBEHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(C(C)(C)C)n2)c1 ZINC000344042557 145353827 /nfs/dbraw/zinc/35/38/27/145353827.db2.gz CRWSGVZTFYFRTR-UHFFFAOYSA-N -1 3 335.389 2.916 10 5 EFBEHM O=C(CCN1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000348871707 146017560 /nfs/dbraw/zinc/01/75/60/146017560.db2.gz LQUZDSXEPIGOAX-UHFFFAOYSA-N -1 3 341.367 2.687 10 5 EFBEHM CSc1ccc([N+](=O)[O-])c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000352989151 146368397 /nfs/dbraw/zinc/36/83/97/146368397.db2.gz LQUAMZDOBWRYSY-ZDUSSCGKSA-N -1 3 348.384 2.566 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccsc2)c(Cl)c1 ZINC000056042819 292656835 /nfs/dbraw/zinc/65/68/35/292656835.db2.gz JDEYKAKIZCKWIR-UHFFFAOYSA-N -1 3 346.817 2.831 10 5 EFBEHM COc1cccc(C(=O)[N-]c2nc3c(s2)C(=O)CCC3)c1[N+](=O)[O-] ZINC000194250543 295288756 /nfs/dbraw/zinc/28/87/56/295288756.db2.gz GQDLVJDDTMBFLI-UHFFFAOYSA-N -1 3 347.352 2.831 10 5 EFBEHM C[C@H](F)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416486177 312192005 /nfs/dbraw/zinc/19/20/05/312192005.db2.gz DLWSSUHENVXTSO-ZETCQYMHSA-N -1 3 344.286 2.640 10 5 EFBEHM CC1(C)CCCN[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000423741438 312447012 /nfs/dbraw/zinc/44/70/12/312447012.db2.gz JXYYLMLJLPIKJY-LBPRGKRZSA-N -1 3 327.768 2.671 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCC[C@@H](F)C1 ZINC000425157030 312516506 /nfs/dbraw/zinc/51/65/06/312516506.db2.gz NRGHKONJDIQGTM-NWDGAFQWSA-N -1 3 332.335 2.874 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000451027282 312800417 /nfs/dbraw/zinc/80/04/17/312800417.db2.gz AVZMXHPFFJHDTB-UHFFFAOYSA-N -1 3 340.323 2.831 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000479994326 313278185 /nfs/dbraw/zinc/27/81/85/313278185.db2.gz JWICYFOKWYWBOW-POHAHGRESA-N -1 3 332.381 2.895 10 5 EFBEHM C[C@H](C(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000562408019 318644665 /nfs/dbraw/zinc/64/46/65/318644665.db2.gz AZDJSBIMCAUTJI-NSHDSACASA-N -1 3 337.339 2.544 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cscn2)c1C ZINC000576362131 320009844 /nfs/dbraw/zinc/00/98/44/320009844.db2.gz UTKYWKYJFPTUGB-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000580845578 324251190 /nfs/dbraw/zinc/25/11/90/324251190.db2.gz GWLWPEGRLADCRI-UHFFFAOYSA-N -1 3 340.323 2.770 10 5 EFBEHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111367855 473210147 /nfs/dbraw/zinc/21/01/47/473210147.db2.gz FZJUGSPJVSPYHS-LKFCYVNXSA-N -1 3 338.410 2.868 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000067951115 472114792 /nfs/dbraw/zinc/11/47/92/472114792.db2.gz CJEVZMJXVFQFQS-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM COc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000088547030 472372661 /nfs/dbraw/zinc/37/26/61/472372661.db2.gz LBXGXIJHJYGWHM-UHFFFAOYSA-N -1 3 340.332 2.852 10 5 EFBEHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000088547059 472372828 /nfs/dbraw/zinc/37/28/28/472372828.db2.gz ICFWECLKXOIMJX-UHFFFAOYSA-N -1 3 340.332 2.852 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COc3ccccc32)c1C ZINC000120056128 472623917 /nfs/dbraw/zinc/62/39/17/472623917.db2.gz JLWZNBIQAFZMES-ZDUSSCGKSA-N -1 3 348.380 2.624 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000078492266 472723816 /nfs/dbraw/zinc/72/38/16/472723816.db2.gz ZVEDVMCKTPVSEN-SNVBAGLBSA-N -1 3 340.357 2.544 10 5 EFBEHM Cc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000105149435 472728441 /nfs/dbraw/zinc/72/84/41/472728441.db2.gz CBRNVPXAARHFEQ-UHFFFAOYSA-N -1 3 346.255 2.972 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc[nH]3)cs2)n1 ZINC000191475419 473544752 /nfs/dbraw/zinc/54/47/52/473544752.db2.gz ABSPCPWUCMITOF-UHFFFAOYSA-N -1 3 332.345 2.515 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccco3)cs2)n1 ZINC000191537522 473552083 /nfs/dbraw/zinc/55/20/83/473552083.db2.gz YMPXLOZMYMIFBH-UHFFFAOYSA-N -1 3 333.329 2.780 10 5 EFBEHM CC(C)Oc1ccc(F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187561670 473884496 /nfs/dbraw/zinc/88/44/96/473884496.db2.gz LVJYPWFGIUGVQS-UHFFFAOYSA-N -1 3 335.291 2.874 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CCCCCC3)n1 ZINC000270768666 474257059 /nfs/dbraw/zinc/25/70/59/474257059.db2.gz PFBNUHBMOMFIDF-UHFFFAOYSA-N -1 3 335.389 2.696 10 5 EFBEHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1cnc(OCC2CC2)cn1 ZINC000284530826 474658905 /nfs/dbraw/zinc/65/89/05/474658905.db2.gz CBPKYSNFZZGZLM-UHFFFAOYSA-N -1 3 346.318 2.873 10 5 EFBEHM CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000609197221 480125202 /nfs/dbraw/zinc/12/52/02/480125202.db2.gz LJROEPLGLYWSJO-LLVKDONJSA-N -1 3 341.414 2.871 10 5 EFBEHM C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000310965258 474832106 /nfs/dbraw/zinc/83/21/06/474832106.db2.gz CFASTSDFDKIOOP-CYBMUJFWSA-N -1 3 343.383 2.551 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2oc(C3CC3)nc2C)cc([N+](=O)[O-])c1 ZINC000273579699 474974084 /nfs/dbraw/zinc/97/40/84/474974084.db2.gz HZOHYUXESGYZIE-UHFFFAOYSA-N -1 3 345.311 2.808 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000345646755 475333464 /nfs/dbraw/zinc/33/34/64/475333464.db2.gz WXNSZTJXGYNMJP-NSHDSACASA-N -1 3 340.323 2.768 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000345638565 475325906 /nfs/dbraw/zinc/32/59/06/475325906.db2.gz YOPAPVUEJPVQDM-NSHDSACASA-N -1 3 340.323 2.768 10 5 EFBEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000338089547 475580039 /nfs/dbraw/zinc/58/00/39/475580039.db2.gz ZGJYSCZFGBUJLI-UHFFFAOYSA-N -1 3 349.306 2.800 10 5 EFBEHM CCc1nc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)c(C)o1 ZINC000352796837 475633280 /nfs/dbraw/zinc/63/32/80/475633280.db2.gz OSFXDKHUXVWXGE-UHFFFAOYSA-N -1 3 341.327 2.518 10 5 EFBEHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc([N+](=O)[O-])ccc1CC ZINC000297278246 475689329 /nfs/dbraw/zinc/68/93/29/475689329.db2.gz DXEUKJPHQNRTSK-UHFFFAOYSA-N -1 3 339.348 2.552 10 5 EFBEHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000297278246 475689340 /nfs/dbraw/zinc/68/93/40/475689340.db2.gz DXEUKJPHQNRTSK-UHFFFAOYSA-N -1 3 339.348 2.552 10 5 EFBEHM O=C(Nc1ccc(CO)c(Cl)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000362217215 476083879 /nfs/dbraw/zinc/08/38/79/476083879.db2.gz VWTHMOZBXOQQSN-UHFFFAOYSA-N -1 3 346.730 2.869 10 5 EFBEHM CN(C)Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1F ZINC000357038944 476179172 /nfs/dbraw/zinc/17/91/72/476179172.db2.gz AGSNNFNUOQYEBC-UHFFFAOYSA-N -1 3 331.307 2.841 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])c(NCCCNC(=O)c2cccc([O-])c2)n1 ZINC000359102784 476190249 /nfs/dbraw/zinc/19/02/49/476190249.db2.gz HKXOYPZIVVOHCG-UHFFFAOYSA-N -1 3 344.371 2.544 10 5 EFBEHM CCO[C@H]1C[C@](NCc2ccc([N+](=O)[O-])cc2C)(C(=O)[O-])C1(C)C ZINC000340672116 476194652 /nfs/dbraw/zinc/19/46/52/476194652.db2.gz BQQIGPDMPDYAIK-YOEHRIQHSA-N -1 3 336.388 2.651 10 5 EFBEHM CCc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)c(C)o1 ZINC000361147327 476635067 /nfs/dbraw/zinc/63/50/67/476635067.db2.gz UWVJUAHRXPYWPF-UHFFFAOYSA-N -1 3 347.327 2.867 10 5 EFBEHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000446100624 476828650 /nfs/dbraw/zinc/82/86/50/476828650.db2.gz UGRYOJPDHASCND-UHFFFAOYSA-N -1 3 336.250 2.912 10 5 EFBEHM COc1cc(CNc2cc(C)cc(OCCO)c2)c([N+](=O)[O-])cc1[O-] ZINC000447098692 476955111 /nfs/dbraw/zinc/95/51/11/476955111.db2.gz OWPFPTDSHKVBIL-UHFFFAOYSA-N -1 3 348.355 2.601 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000431586798 477056149 /nfs/dbraw/zinc/05/61/49/477056149.db2.gz LMYAXONSRLNXSU-UHFFFAOYSA-N -1 3 330.406 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000416559504 477217392 /nfs/dbraw/zinc/21/73/92/477217392.db2.gz QQYCYXIEMRFAON-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM Cc1cccc(C(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1[O-] ZINC000436808992 477595823 /nfs/dbraw/zinc/59/58/23/477595823.db2.gz NNPRJIJETXLHBD-UHFFFAOYSA-N -1 3 339.311 2.646 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000451609204 478122408 /nfs/dbraw/zinc/12/24/08/478122408.db2.gz PRFDNOJRESOWNK-UHFFFAOYSA-N -1 3 328.362 2.678 10 5 EFBEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000594479290 478403201 /nfs/dbraw/zinc/40/32/01/478403201.db2.gz QJMTWQRSVIBZHZ-GFCCVEGCSA-N -1 3 344.433 2.633 10 5 EFBEHM CC(C)(C)c1ccc([N-]C(=O)c2nc3ncccn3n2)cc1[N+](=O)[O-] ZINC000597630014 478440980 /nfs/dbraw/zinc/44/09/80/478440980.db2.gz AJCURLJDTXYLQZ-UHFFFAOYSA-N -1 3 340.343 2.582 10 5 EFBEHM O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594797617 478544871 /nfs/dbraw/zinc/54/48/71/478544871.db2.gz WRKZNFQXHOYPQR-IJLUTSLNSA-N -1 3 347.396 2.610 10 5 EFBEHM CC[C@@](C)([N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594860367 478564252 /nfs/dbraw/zinc/56/42/52/478564252.db2.gz CFFKDPGVDSKPJB-CQSZACIVSA-N -1 3 346.380 2.600 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000594859055 478564804 /nfs/dbraw/zinc/56/48/04/478564804.db2.gz XWQXXWCDOKNGPC-GFCCVEGCSA-N -1 3 334.344 2.617 10 5 EFBEHM Cn1cc(C[C@H]2CCC[C@H]2NCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000594979365 478615180 /nfs/dbraw/zinc/61/51/80/478615180.db2.gz JXYALAIYCPNSDA-CZUORRHYSA-N -1 3 330.388 2.535 10 5 EFBEHM Cn1cc(C[C@@H]2CCC[C@@H]2NCc2cc([O-])ccc2[N+](=O)[O-])cn1 ZINC000594979361 478615221 /nfs/dbraw/zinc/61/52/21/478615221.db2.gz JXYALAIYCPNSDA-BBRMVZONSA-N -1 3 330.388 2.535 10 5 EFBEHM COc1cc(CNc2ccc3c(c2)CCOC3)c([N+](=O)[O-])cc1[O-] ZINC000594981821 478617660 /nfs/dbraw/zinc/61/76/60/478617660.db2.gz ZJZBOQITHQCUDI-UHFFFAOYSA-N -1 3 330.340 2.994 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])c([N-]c2cnn(CC(=O)OC(C)(C)C)c2)n1 ZINC000591954967 478722389 /nfs/dbraw/zinc/72/23/89/478722389.db2.gz AAUVXQHBLSSZGH-UHFFFAOYSA-N -1 3 347.375 2.888 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000595419065 478768308 /nfs/dbraw/zinc/76/83/08/478768308.db2.gz WXKADYNQZVEZGD-UHFFFAOYSA-N -1 3 340.323 2.852 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592105855 478778626 /nfs/dbraw/zinc/77/86/26/478778626.db2.gz LICCUNIBEARWTP-UHFFFAOYSA-N -1 3 330.381 2.710 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000601392064 478816923 /nfs/dbraw/zinc/81/69/23/478816923.db2.gz DQVYIFKZLUYMOT-LLVKDONJSA-N -1 3 348.446 2.592 10 5 EFBEHM CCOC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCC1 ZINC000601422027 478828573 /nfs/dbraw/zinc/82/85/73/478828573.db2.gz MWEIOLZVPWWKFV-UHFFFAOYSA-N -1 3 348.446 2.592 10 5 EFBEHM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601434776 478831362 /nfs/dbraw/zinc/83/13/62/478831362.db2.gz TXCBSYPWMXMXAQ-GHMZBOCLSA-N -1 3 348.446 2.591 10 5 EFBEHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(NC2CC2)CCC1 ZINC000595954486 479081960 /nfs/dbraw/zinc/08/19/60/479081960.db2.gz IXYQPKNDVFNCDJ-UHFFFAOYSA-N -1 3 325.752 2.567 10 5 EFBEHM CCOC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596091820 479132978 /nfs/dbraw/zinc/13/29/78/479132978.db2.gz DQABAYQGWXMJPD-ZDUSSCGKSA-N -1 3 345.355 2.529 10 5 EFBEHM Cn1cc([C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000573814704 479151644 /nfs/dbraw/zinc/15/16/44/479151644.db2.gz ULQDSKCPVCBNQE-HNNXBMFYSA-N -1 3 330.388 2.660 10 5 EFBEHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000596140332 479160400 /nfs/dbraw/zinc/16/04/00/479160400.db2.gz GQJHKRMKNMERJM-HZMBPMFUSA-N -1 3 333.319 2.801 10 5 EFBEHM C[C@H]1CC(=O)N(C)c2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc21 ZINC000599181564 479198421 /nfs/dbraw/zinc/19/84/21/479198421.db2.gz FACPDGUWXAXPHT-VIFPVBQESA-N -1 3 328.328 2.909 10 5 EFBEHM Cc1noc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)c1[N+](=O)[O-] ZINC000596238301 479217450 /nfs/dbraw/zinc/21/74/50/479217450.db2.gz OZCDKMNHKRQLFJ-UHFFFAOYSA-N -1 3 347.356 2.844 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000599411384 479287186 /nfs/dbraw/zinc/28/71/86/479287186.db2.gz GIFUIJCGHBEYOF-MRXNPFEDSA-N -1 3 347.396 2.810 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599520251 479320478 /nfs/dbraw/zinc/32/04/78/479320478.db2.gz HWNAMQZDMUEJGT-JTQLQIEISA-N -1 3 330.431 2.823 10 5 EFBEHM Cc1nc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)co1 ZINC000586836257 479362551 /nfs/dbraw/zinc/36/25/51/479362551.db2.gz UTFKSUOUIJLLTC-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM CC(C)(C)OC(=O)c1cncc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000594077987 479581493 /nfs/dbraw/zinc/58/14/93/479581493.db2.gz CZABUWRLGALZIK-UHFFFAOYSA-N -1 3 333.300 2.790 10 5 EFBEHM CCc1cc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)no1 ZINC000610075777 480233876 /nfs/dbraw/zinc/23/38/76/480233876.db2.gz QMGWDSJCOSKWHA-UHFFFAOYSA-N -1 3 344.352 2.943 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccsc2)c1C ZINC000119583632 526066205 /nfs/dbraw/zinc/06/62/05/526066205.db2.gz HJPGTJIPZFBXFW-UHFFFAOYSA-N -1 3 340.426 2.794 10 5 EFBEHM CCCCn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351828215 535138897 /nfs/dbraw/zinc/13/88/97/535138897.db2.gz VUCDDCHIQQGWJH-UHFFFAOYSA-N -1 3 338.389 2.993 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccnc(-c3ccccc3)n2)n1 ZINC000756720251 575780650 /nfs/dbraw/zinc/78/06/50/575780650.db2.gz XVVOVULULBFGJP-UHFFFAOYSA-N -1 3 338.327 2.521 10 5 EFBEHM COc1ccc(NC([O-])=NOCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000757993352 575857609 /nfs/dbraw/zinc/85/76/09/575857609.db2.gz KIJVIRUFHCESIF-UHFFFAOYSA-N -1 3 335.291 2.996 10 5 EFBEHM COc1ccc(NC(=O)[N-]OCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000757993352 575857610 /nfs/dbraw/zinc/85/76/10/575857610.db2.gz KIJVIRUFHCESIF-UHFFFAOYSA-N -1 3 335.291 2.996 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000768849715 577309454 /nfs/dbraw/zinc/30/94/54/577309454.db2.gz PFQJVSFGIQTICT-LLVKDONJSA-N -1 3 348.446 2.530 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000768849717 577309461 /nfs/dbraw/zinc/30/94/61/577309461.db2.gz PFQJVSFGIQTICT-NSHDSACASA-N -1 3 348.446 2.530 10 5 EFBEHM COC(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2C)c1[O-] ZINC000769668648 577377795 /nfs/dbraw/zinc/37/77/95/577377795.db2.gz AZOUFGNLPRIPGY-UHFFFAOYSA-N -1 3 344.323 2.956 10 5 EFBEHM COc1cc(CN[C@H]2C[C@H](O)c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000850371459 1250451864 /nfs/dbraw/zinc/45/18/64/1250451864.db2.gz JVNZALLKDDDPES-ZFWWWQNUSA-N -1 3 330.340 2.577 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCS[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000921711875 1261253702 /nfs/dbraw/zinc/25/37/02/1261253702.db2.gz OIGXCNZLYDKXHK-VHSXEESVSA-N -1 3 348.421 2.605 10 5 EFBEHM CCCc1[nH]nc(C(=O)[N-]c2ccc(F)c(F)c2F)c1[N+](=O)[O-] ZINC001136345000 1277179076 /nfs/dbraw/zinc/17/90/76/1277179076.db2.gz DXOQDQRUYFSOGN-UHFFFAOYSA-N -1 3 328.250 2.940 10 5 EFBEHM Cc1nc(C)c(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)o1 ZINC000820698718 1277282929 /nfs/dbraw/zinc/28/29/29/1277282929.db2.gz BXNNQWYMHXZGBD-UHFFFAOYSA-N -1 3 325.271 2.608 10 5 EFBEHM O=c1[n-]ccc(NCCc2ccc(Cl)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC001185948099 1290788746 /nfs/dbraw/zinc/78/87/46/1290788746.db2.gz FDSXYYCTPUORDF-UHFFFAOYSA-N -1 3 338.707 2.912 10 5 EFBEHM Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001187880316 1291261790 /nfs/dbraw/zinc/26/17/90/1291261790.db2.gz DEMSVMHCIUDZFR-HAQNSBGRSA-N -1 3 329.360 2.932 10 5 EFBEHM Cc1ccccc1[C@@H](O)C1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853618005 1300195480 /nfs/dbraw/zinc/19/54/80/1300195480.db2.gz BFAFXSXGXYVHGH-KRWDZBQOSA-N -1 3 343.383 2.954 10 5 EFBEHM CC(C)c1ccc(CN2CCSC[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901891821 1311158696 /nfs/dbraw/zinc/15/86/96/1311158696.db2.gz QFRNYYGYENFYMM-CYBMUJFWSA-N -1 3 338.429 2.968 10 5 EFBEHM CCC(=O)c1ccc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c([N+](=O)[O-])c1 ZINC001163643906 1312353419 /nfs/dbraw/zinc/35/34/19/1312353419.db2.gz ZZFQWEJYJYEFSQ-LLVKDONJSA-N -1 3 330.344 2.610 10 5 EFBEHM Cc1ccc(N[C@H]2CCCN(c3nc(C)cc(=O)[n-]3)C2)c([N+](=O)[O-])c1 ZINC001164131179 1312453907 /nfs/dbraw/zinc/45/39/07/1312453907.db2.gz JQLVGUYZPIRZRG-ZDUSSCGKSA-N -1 3 343.387 2.788 10 5 EFBEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106133 1321800311 /nfs/dbraw/zinc/80/03/11/1321800311.db2.gz GKTZBQZUILCWRF-RYUDHWBXSA-N -1 3 339.311 2.715 10 5 EFBEHM O=c1[n-]ccc(N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1[N+](=O)[O-] ZINC001307112214 1324742069 /nfs/dbraw/zinc/74/20/69/1324742069.db2.gz DEIQQGKZLPZAIP-DZGCQCFKSA-N -1 3 337.339 2.849 10 5 EFBEHM O=c1cc(CNc2ncnc3cccc([N+](=O)[O-])c32)nc(C2CC2)[n-]1 ZINC001307209576 1324750560 /nfs/dbraw/zinc/75/05/60/1324750560.db2.gz GJCISPSMDKEVCO-UHFFFAOYSA-N -1 3 338.327 2.523 10 5 EFBEHM O=c1cc(CNc2c3ccccc3ncc2[N+](=O)[O-])nc(C2CC2)[n-]1 ZINC001307209548 1324751128 /nfs/dbraw/zinc/75/11/28/1324751128.db2.gz FDMDAFFPUACBAU-UHFFFAOYSA-N -1 3 337.339 2.550 10 5 EFBEHM O=C([O-])[C@H](CCF)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001329870027 1330744299 /nfs/dbraw/zinc/74/42/99/1330744299.db2.gz JAFZBOWVBOIGKC-LBPRGKRZSA-N -1 3 339.348 2.621 10 5 EFBEHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1csc(-c2ncc[nH]2)n1 ZINC001361094012 1335954779 /nfs/dbraw/zinc/95/47/79/1335954779.db2.gz SSEKPXTYKPWDGS-UHFFFAOYSA-N -1 3 333.304 2.833 10 5 EFBEHM COc1ccc([O-])c(NC(=O)c2cc(OC)c(F)cc2[N+](=O)[O-])c1 ZINC001447050897 1391674392 /nfs/dbraw/zinc/67/43/92/1391674392.db2.gz QCHZESZGYVHGOP-UHFFFAOYSA-N -1 3 336.275 2.709 10 5 EFBEHM CC(C)(C)OC(=O)c1ccc([N-]C(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC001461251580 1396364519 /nfs/dbraw/zinc/36/45/19/1396364519.db2.gz SRZRZCRYBGNHJE-UHFFFAOYSA-N -1 3 333.300 2.790 10 5 EFBEHM CC(C)c1cc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)no1 ZINC001463519746 1396497934 /nfs/dbraw/zinc/49/79/34/1396497934.db2.gz UCCGJYPOCPKUCS-UHFFFAOYSA-N -1 3 333.300 2.730 10 5 EFBEHM CCCN1Cc2cccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c2C1 ZINC001464761932 1396603660 /nfs/dbraw/zinc/60/36/60/1396603660.db2.gz QAVNRMIDXVGOGV-UHFFFAOYSA-N -1 3 342.355 2.673 10 5 EFBEHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)Nc1c([O-])cccc1Cl ZINC001556784543 1415088372 /nfs/dbraw/zinc/08/83/72/1415088372.db2.gz XFUPOLSMURUPQG-UHFFFAOYSA-N -1 3 346.730 2.942 10 5 EFBEHM CCCc1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC001558926863 1415211668 /nfs/dbraw/zinc/21/16/68/1415211668.db2.gz YRCZUAMVHCPHAY-UHFFFAOYSA-N -1 3 342.315 2.573 10 5 EFBEHM O=[N+]([O-])c1cncc(Cl)c1NCCc1c(F)cc([O-])cc1F ZINC001559287362 1415236995 /nfs/dbraw/zinc/23/69/95/1415236995.db2.gz OAFIUZSCYAJRRA-UHFFFAOYSA-N -1 3 329.690 2.704 10 5 EFBEHM O=c1ccnc([C@H]2CC[C@H](Nc3c(Cl)cncc3[N+](=O)[O-])CC2)[n-]1 ZINC001559301114 1415238093 /nfs/dbraw/zinc/23/80/93/1415238093.db2.gz NGWOCEJLDMOAJU-MGCOHNPYSA-N -1 3 349.778 2.699 10 5 EFBEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357839 1415542301 /nfs/dbraw/zinc/54/23/01/1415542301.db2.gz NQIZLQQMUXEAJL-UONOGXRCSA-N -1 3 330.315 2.859 10 5 EFBEHM COc1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c([O-])c1 ZINC001570745143 1086495682 /nfs/dbraw/zinc/49/56/82/1086495682.db2.gz IBLSKXKGJIAXQO-UHFFFAOYSA-N -1 3 338.266 2.517 10 5 EFBEHM O=c1[n-]ccc(NCCNc2ccc(C(F)(F)F)cn2)c1[N+](=O)[O-] ZINC001650691309 1093483091 /nfs/dbraw/zinc/48/30/91/1093483091.db2.gz WHUFWUBDPJNUKZ-UHFFFAOYSA-N -1 3 343.265 2.633 10 5 EFBEHM O=c1cc([C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001651202784 1093539559 /nfs/dbraw/zinc/53/95/59/1093539559.db2.gz OBWQTASUOPYMRX-JTQLQIEISA-N -1 3 325.328 2.566 10 5 EFBEHM O=c1cc([C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001651202787 1093539729 /nfs/dbraw/zinc/53/97/29/1093539729.db2.gz OBWQTASUOPYMRX-SNVBAGLBSA-N -1 3 325.328 2.566 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCc2ccc([O-])c(F)c2)c1F ZINC001595590289 1094478354 /nfs/dbraw/zinc/47/83/54/1094478354.db2.gz PSEQKLRUCFYHCW-UHFFFAOYSA-N -1 3 340.257 2.956 10 5 EFBEHM O=C(Nc1c(F)cccc1N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001611578844 1099022652 /nfs/dbraw/zinc/02/26/52/1099022652.db2.gz YEUSVPNDDISBEJ-UHFFFAOYSA-N -1 3 346.318 2.687 10 5 EFBEHM CN(C)c1cc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1Cl ZINC001611666776 1099029292 /nfs/dbraw/zinc/02/92/92/1099029292.db2.gz AOYSXWICESXGJD-UHFFFAOYSA-N -1 3 336.735 2.667 10 5 EFBEHM C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001616301312 1099173967 /nfs/dbraw/zinc/17/39/67/1099173967.db2.gz RDJJDAASEBNMIZ-NSHDSACASA-N -1 3 337.335 2.927 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001624739754 1099725554 /nfs/dbraw/zinc/72/55/54/1099725554.db2.gz DLQXLADRTYBSLL-UONOGXRCSA-N -1 3 338.323 2.919 10 5 EFBEHM O=C([N-]N1Cc2ccccc2C1=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001624972985 1099756949 /nfs/dbraw/zinc/75/69/49/1099756949.db2.gz DIZWZTQCLTXEJE-UHFFFAOYSA-N -1 3 349.705 2.688 10 5 EFBEHM Cc1nc([N-]C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)nn1C ZINC001625182082 1099778385 /nfs/dbraw/zinc/77/83/85/1099778385.db2.gz UYUXTHJWMNJCFF-UHFFFAOYSA-N -1 3 348.121 2.730 10 5 EFBEHM Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC001630627640 1100324591 /nfs/dbraw/zinc/32/45/91/1100324591.db2.gz CGIQLJLBFIOHFZ-UHFFFAOYSA-N -1 3 329.356 2.923 10 5 EFBEHM O=C([N-]OCC(F)F)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC001632701056 1100493979 /nfs/dbraw/zinc/49/39/79/1100493979.db2.gz BTSZVCVUJHKBJN-UHFFFAOYSA-N -1 3 333.049 2.967 10 5 EFBEHM Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1[N+](=O)[O-] ZINC001636085660 1100699782 /nfs/dbraw/zinc/69/97/82/1100699782.db2.gz KHUJRWJDJCEEJX-SSDOTTSWSA-N -1 3 343.265 2.531 10 5 EFBEHM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001636182811 1100704807 /nfs/dbraw/zinc/70/48/07/1100704807.db2.gz VBNLBJXSLHSWSR-UHFFFAOYSA-N -1 3 330.275 2.877 10 5 EFBEHM CC(C)(C)Oc1ccncc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001636887210 1100743884 /nfs/dbraw/zinc/74/38/84/1100743884.db2.gz UNBCPZZHWJWBMX-UHFFFAOYSA-N -1 3 332.316 2.520 10 5 EFBEHM CN(C)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(F)c1 ZINC001637937918 1100819478 /nfs/dbraw/zinc/81/94/78/1100819478.db2.gz NWIVCWLWFYJKRW-UHFFFAOYSA-N -1 3 333.319 2.753 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cncc([O-])c1 ZINC001638269409 1100845745 /nfs/dbraw/zinc/84/57/45/1100845745.db2.gz WLTMMJQXWNYAGB-ZZXKWVIFSA-N -1 3 329.312 2.746 10 5 EFBEHM C[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)no1 ZINC001639722509 1100977477 /nfs/dbraw/zinc/97/74/77/1100977477.db2.gz FOMXEHVNFRRYAE-JTQLQIEISA-N -1 3 341.327 2.961 10 5 EFBEHM O=c1[n-]ccc(N2CCc3[nH]c4ccc(F)cc4c3C2)c1[N+](=O)[O-] ZINC001639772984 1100983306 /nfs/dbraw/zinc/98/33/06/1100983306.db2.gz ACVJAQYWSQPDDV-UHFFFAOYSA-N -1 3 328.303 2.879 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccc(Cl)cc3[N+](=O)[O-])C2)n1 ZINC001640403036 1101043463 /nfs/dbraw/zinc/04/34/63/1101043463.db2.gz BOZHLAZDPXWFJU-NSHDSACASA-N -1 3 349.778 2.743 10 5 EFBEHM Cn1c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nc2cccc(Cl)c21 ZINC001642588752 1101225648 /nfs/dbraw/zinc/22/56/48/1101225648.db2.gz PMHQZKANHVEYLM-UHFFFAOYSA-N -1 3 333.735 2.848 10 5 EFBEHM CC(C)(C)OC(=O)NC(C)(C)CCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001643118218 1101272321 /nfs/dbraw/zinc/27/23/21/1101272321.db2.gz CALBGMKUFFXIOJ-UHFFFAOYSA-N -1 3 340.380 2.801 10 5 EFBEHM O=c1[n-]ccc(N[C@H]2C[C@@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327180 1101290776 /nfs/dbraw/zinc/29/07/76/1101290776.db2.gz IMEZWOQRXUWBQD-SUMWQHHRSA-N -1 3 343.339 2.790 10 5 EFBEHM O=c1ccnc([C@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3F)CC2)[n-]1 ZINC001652318000 1101476019 /nfs/dbraw/zinc/47/60/19/1101476019.db2.gz KIGBUKZYVQGZGL-MGCOHNPYSA-N -1 3 333.323 2.763 10 5 EFBEHM O=[N+]([O-])c1ccc2c(c1)N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC001653204239 1101594976 /nfs/dbraw/zinc/59/49/76/1101594976.db2.gz IOXFKYLFTWMKPZ-UHFFFAOYSA-N -1 3 338.323 2.913 10 5 EFBEHM C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC1 ZINC001654241253 1101697205 /nfs/dbraw/zinc/69/72/05/1101697205.db2.gz KPKQOHGRGFDJHP-JTQLQIEISA-N -1 3 341.795 2.558 10 5 EFBEHM O=C(Nc1cc(-c2cccs2)on1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001654697739 1101750430 /nfs/dbraw/zinc/75/04/30/1101750430.db2.gz ACSPBRLKKXTFEG-UHFFFAOYSA-N -1 3 332.297 2.664 10 5 EFBEHM C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001655892860 1101906890 /nfs/dbraw/zinc/90/68/90/1101906890.db2.gz NJNHCFSQZGJQLM-BYPYZUCNSA-N -1 3 347.282 2.614 10 5 EFBEHM Nc1ncnc([N-]c2ccc(Br)cc2F)c1[N+](=O)[O-] ZINC000040608783 213358408 /nfs/dbraw/zinc/35/84/08/213358408.db2.gz KBZCMOSFMDSSES-UHFFFAOYSA-N -1 3 328.101 2.612 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCSC1CCCC1 ZINC000040105689 213266212 /nfs/dbraw/zinc/26/62/12/213266212.db2.gz RMKQCCIEOKJXQS-UHFFFAOYSA-N -1 3 344.458 2.857 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2N2CCCC2)n1 ZINC000191593583 239995665 /nfs/dbraw/zinc/99/56/65/239995665.db2.gz JYAJKXNVYHAWTA-UHFFFAOYSA-N -1 3 347.350 2.803 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)c(Cl)cn2)n1 ZINC000427357204 247341908 /nfs/dbraw/zinc/34/19/08/247341908.db2.gz AJUPBYOBVFYJFQ-UHFFFAOYSA-N -1 3 330.131 2.765 10 5 EFBEHM CCOc1ccc(C(=O)Nc2ccc(OC)cc2[O-])cc1[N+](=O)[O-] ZINC000442686122 250103358 /nfs/dbraw/zinc/10/33/58/250103358.db2.gz UQWHTAPLZCRBAM-UHFFFAOYSA-N -1 3 332.312 2.960 10 5 EFBEHM Cc1csc(-c2nonc2[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000008775817 211004734 /nfs/dbraw/zinc/00/47/34/211004734.db2.gz QSWUWPYERHNPIQ-UHFFFAOYSA-N -1 3 331.313 2.662 10 5 EFBEHM CSc1c(F)cc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000343461419 142002948 /nfs/dbraw/zinc/00/29/48/142002948.db2.gz TXLGPWNXVQHVSZ-UHFFFAOYSA-N -1 3 328.300 2.581 10 5 EFBEHM CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ncccc1[O-] ZINC000352511763 142501664 /nfs/dbraw/zinc/50/16/64/142501664.db2.gz ZBLHIBBLIHTIAX-UHFFFAOYSA-N -1 3 333.369 2.737 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000342511943 145140885 /nfs/dbraw/zinc/14/08/85/145140885.db2.gz JXYHLCGAGFEUOU-ILDUYXDCSA-N -1 3 330.431 2.822 10 5 EFBEHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000271625251 266024476 /nfs/dbraw/zinc/02/44/76/266024476.db2.gz ASWUJYUBLFDKIY-JTQLQIEISA-N -1 3 344.371 2.517 10 5 EFBEHM Cc1cn2cc(NC(=O)c3n[n-]c4ccc([N+](=O)[O-])cc43)ccc2n1 ZINC000343874823 274825019 /nfs/dbraw/zinc/82/50/19/274825019.db2.gz OQHHPSVLJMAJPM-UHFFFAOYSA-N -1 3 336.311 2.680 10 5 EFBEHM COc1cccc2c1CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000339135232 278029069 /nfs/dbraw/zinc/02/90/69/278029069.db2.gz YSPQHBZAAQQAGA-UHFFFAOYSA-N -1 3 328.368 2.910 10 5 EFBEHM Cc1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)on1 ZINC000341742211 280365982 /nfs/dbraw/zinc/36/59/82/280365982.db2.gz XWHAQQZKNJMSRF-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCc2ccsc2)cc1C ZINC000060499265 292670727 /nfs/dbraw/zinc/67/07/27/292670727.db2.gz RYYIXDHIWAXNRQ-UHFFFAOYSA-N -1 3 340.426 2.794 10 5 EFBEHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295195522 295280855 /nfs/dbraw/zinc/28/08/55/295280855.db2.gz LZLMPVMLAVBNKH-UHFFFAOYSA-N -1 3 326.296 2.522 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCCC(C)(F)F)cc([N+](=O)[O-])c1F ZINC000297017915 310842680 /nfs/dbraw/zinc/84/26/80/310842680.db2.gz KJIPETLURSRZJK-UHFFFAOYSA-N -1 3 340.323 2.756 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCC(C)(F)F)c1C ZINC000297068260 310848908 /nfs/dbraw/zinc/84/89/08/310848908.db2.gz MTVLYTIIURDIFS-UHFFFAOYSA-N -1 3 336.360 2.925 10 5 EFBEHM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303824245 311210413 /nfs/dbraw/zinc/21/04/13/311210413.db2.gz KNRGKBOVJIDTSH-RYUDHWBXSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000416551293 312193075 /nfs/dbraw/zinc/19/30/75/312193075.db2.gz GVTVFRWLEVBTNB-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC[C@@H](F)C1 ZINC000425157034 312516501 /nfs/dbraw/zinc/51/65/01/312516501.db2.gz NRGHKONJDIQGTM-VXGBXAGGSA-N -1 3 332.335 2.874 10 5 EFBEHM CCc1nc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc1C(C)(C)C ZINC000458267970 313099352 /nfs/dbraw/zinc/09/93/52/313099352.db2.gz FCFQWRQCNWEBHQ-UHFFFAOYSA-N -1 3 337.405 2.897 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C)C(F)(F)F ZINC000469048290 313118743 /nfs/dbraw/zinc/11/87/43/313118743.db2.gz XOAWARRGAQOCLO-NSHDSACASA-N -1 3 340.323 2.831 10 5 EFBEHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)n1cccc1 ZINC000524596175 316161957 /nfs/dbraw/zinc/16/19/57/316161957.db2.gz NMARNIDRHMCWSX-GFCCVEGCSA-N -1 3 339.355 2.798 10 5 EFBEHM O=C([N-]c1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000544058391 317873306 /nfs/dbraw/zinc/87/33/06/317873306.db2.gz ZJGRVXJWTCIBBW-UHFFFAOYSA-N -1 3 327.325 2.761 10 5 EFBEHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1cccc([O-])c1F ZINC000573630978 319784077 /nfs/dbraw/zinc/78/40/77/319784077.db2.gz BLEIEJPVOYPZOM-UHFFFAOYSA-N -1 3 326.230 2.899 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cscn2)c1C ZINC000576362130 320010062 /nfs/dbraw/zinc/01/00/62/320010062.db2.gz UTKYWKYJFPTUGB-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM CCc1c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)onc1C(F)(F)F ZINC000577550987 320120802 /nfs/dbraw/zinc/12/08/02/320120802.db2.gz FRPBAYXMEDBXBI-UHFFFAOYSA-N -1 3 330.222 2.811 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000111358503 473209634 /nfs/dbraw/zinc/20/96/34/473209634.db2.gz UQEYUZDAPIEDDY-ZIAGYGMSSA-N -1 3 332.381 2.677 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000111358506 473209877 /nfs/dbraw/zinc/20/98/77/473209877.db2.gz UQEYUZDAPIEDDY-KBPBESRZSA-N -1 3 332.381 2.677 10 5 EFBEHM CC(C)C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000011718910 471757471 /nfs/dbraw/zinc/75/74/71/471757471.db2.gz ROLAAQFNQGQDHY-UHFFFAOYSA-N -1 3 344.327 2.542 10 5 EFBEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000077393371 472519806 /nfs/dbraw/zinc/51/98/06/472519806.db2.gz JCCHCFCWCNCTGQ-HNNXBMFYSA-N -1 3 348.380 2.624 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000159981626 473078912 /nfs/dbraw/zinc/07/89/12/473078912.db2.gz SSHWTZXOQYTYOV-NSHDSACASA-N -1 3 341.414 2.789 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000172020148 473503289 /nfs/dbraw/zinc/50/32/89/473503289.db2.gz GZSNTRNJKNYISA-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(c2ccccc2)CC1 ZINC000263773325 473842625 /nfs/dbraw/zinc/84/26/25/473842625.db2.gz DDJRUTIZNDUMSD-UHFFFAOYSA-N -1 3 348.380 2.571 10 5 EFBEHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188407630 474084530 /nfs/dbraw/zinc/08/45/30/474084530.db2.gz VZKIYTINJZPHOX-CYBMUJFWSA-N -1 3 348.380 2.705 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCCC1(C)C ZINC000339110141 474937455 /nfs/dbraw/zinc/93/74/55/474937455.db2.gz QVBWVDWEIHBTKT-NSHDSACASA-N -1 3 342.417 2.708 10 5 EFBEHM Nc1c(C(=O)[N-]c2cc(F)cc(F)c2F)cc(F)cc1[N+](=O)[O-] ZINC000324501496 474970484 /nfs/dbraw/zinc/97/04/84/474970484.db2.gz LGTAIOSSOAOHDO-UHFFFAOYSA-N -1 3 329.209 2.986 10 5 EFBEHM COc1cc(CNc2ccc(N3CCC3=O)cc2)c([N+](=O)[O-])cc1[O-] ZINC000341492428 475087987 /nfs/dbraw/zinc/08/79/87/475087987.db2.gz VEPNKPJMPAOUEE-UHFFFAOYSA-N -1 3 343.339 2.658 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ncc(C(C)=O)s1 ZINC000348296735 475571619 /nfs/dbraw/zinc/57/16/19/475571619.db2.gz HTTDEFUFVTVGAG-UHFFFAOYSA-N -1 3 335.341 2.905 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000340095673 475756020 /nfs/dbraw/zinc/75/60/20/475756020.db2.gz PNIGJDMYRVGYES-OAHLLOKOSA-N -1 3 347.396 2.728 10 5 EFBEHM CCOc1ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c2ncccc12 ZINC000362055883 475965533 /nfs/dbraw/zinc/96/55/33/475965533.db2.gz HJATZERBXAEUKP-UHFFFAOYSA-N -1 3 341.327 2.528 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000350631328 476273516 /nfs/dbraw/zinc/27/35/16/476273516.db2.gz HBTXCQAJBDHCOX-UHFFFAOYSA-N -1 3 344.776 2.671 10 5 EFBEHM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000360888367 476456109 /nfs/dbraw/zinc/45/61/09/476456109.db2.gz LWELSWBSXOZROJ-GHMZBOCLSA-N -1 3 330.406 2.706 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000416500065 477189630 /nfs/dbraw/zinc/18/96/30/477189630.db2.gz FJNBGGWVWDPPOL-UHFFFAOYSA-N -1 3 340.373 2.678 10 5 EFBEHM C[C@@H](CC(F)(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000411760038 477357950 /nfs/dbraw/zinc/35/79/50/477357950.db2.gz RDWBOZZVUGONJG-QMMMGPOBSA-N -1 3 342.277 2.934 10 5 EFBEHM CC1(C)Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])c([O-])c2O1 ZINC000436778001 477586607 /nfs/dbraw/zinc/58/66/07/477586607.db2.gz PBYXZBJVBDRJFT-UHFFFAOYSA-N -1 3 342.351 2.944 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCC[C@H](F)C1 ZINC000425157032 477652690 /nfs/dbraw/zinc/65/26/90/477652690.db2.gz NRGHKONJDIQGTM-RYUDHWBXSA-N -1 3 332.335 2.874 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488182 478407244 /nfs/dbraw/zinc/40/72/44/478407244.db2.gz QBTCVNMJMIARGD-JSGCOSHPSA-N -1 3 342.417 2.529 10 5 EFBEHM CC([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)(C1CC1)C1CC1 ZINC000595364573 478748203 /nfs/dbraw/zinc/74/82/03/478748203.db2.gz PLRVJWRSPKXFOR-UHFFFAOYSA-N -1 3 328.365 2.591 10 5 EFBEHM COc1ccccc1C1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000592070636 478763604 /nfs/dbraw/zinc/76/36/04/478763604.db2.gz SNWHZEKDLRWFKO-UHFFFAOYSA-N -1 3 348.380 2.571 10 5 EFBEHM Cc1c([N-]S(=O)(=O)CCCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000592381857 478875855 /nfs/dbraw/zinc/87/58/55/478875855.db2.gz HXOCYGNPMGSREM-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM O=c1[n-]ccc(N[C@@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000596167099 479175669 /nfs/dbraw/zinc/17/56/69/479175669.db2.gz CZGSYNHPAVXBCK-SNVBAGLBSA-N -1 3 325.390 2.552 10 5 EFBEHM CC(=O)c1ccc2c(c1)CCN(c1cc[n-]c(=O)c1[N+](=O)[O-])CC2 ZINC000596174113 479179741 /nfs/dbraw/zinc/17/97/41/479179741.db2.gz HWXWAILZDRKJSA-UHFFFAOYSA-N -1 3 327.340 2.503 10 5 EFBEHM COc1ccc([C@H]2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)cc1F ZINC000599193975 479204572 /nfs/dbraw/zinc/20/45/72/479204572.db2.gz HSRHAUGGMSCCNQ-NSHDSACASA-N -1 3 333.319 2.837 10 5 EFBEHM O=c1[n-]ccc(N[C@H]2CC[C@H](Nc3ccccn3)CC2)c1[N+](=O)[O-] ZINC000596231035 479212330 /nfs/dbraw/zinc/21/23/30/479212330.db2.gz FVFHQYWWQUHSDF-HAQNSBGRSA-N -1 3 329.360 2.926 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C(C(C)C)C(C)C ZINC000610898519 479228372 /nfs/dbraw/zinc/22/83/72/479228372.db2.gz GUFDASSNAUKHQC-UHFFFAOYSA-N -1 3 330.406 2.562 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccsc2)cc1[N+](=O)[O-] ZINC000599460111 479305810 /nfs/dbraw/zinc/30/58/10/479305810.db2.gz STKMEAPFXOZILG-VHSXEESVSA-N -1 3 344.439 2.861 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000593727444 479436802 /nfs/dbraw/zinc/43/68/02/479436802.db2.gz JQCIUHWYTFQQTA-QGZVFWFLSA-N -1 3 331.347 2.586 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)cc1C ZINC000610518536 480328339 /nfs/dbraw/zinc/32/83/39/480328339.db2.gz ZIOQAQQNPAQMGH-CYBMUJFWSA-N -1 3 349.412 2.689 10 5 EFBEHM CCOc1ccccc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066001504 521504827 /nfs/dbraw/zinc/50/48/27/521504827.db2.gz NLDYUPAVIMMTKK-UHFFFAOYSA-N -1 3 342.398 2.534 10 5 EFBEHM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccncc2F)cc1[N+](=O)[O-] ZINC000180168985 525749312 /nfs/dbraw/zinc/74/93/12/525749312.db2.gz FZAYOERGUWGEDQ-UHFFFAOYSA-N -1 3 345.739 2.892 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000123314533 526885775 /nfs/dbraw/zinc/88/57/75/526885775.db2.gz PLVDJDDWTLLFLT-NWDGAFQWSA-N -1 3 338.410 2.799 10 5 EFBEHM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCc1cc(=O)c([O-])co1 ZINC000760777415 576073405 /nfs/dbraw/zinc/07/34/05/576073405.db2.gz DUNBKGBJZJTKDS-UHFFFAOYSA-N -1 3 339.687 2.572 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCS[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000921711873 1261254231 /nfs/dbraw/zinc/25/42/31/1261254231.db2.gz OIGXCNZLYDKXHK-NXEZZACHSA-N -1 3 348.421 2.605 10 5 EFBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1coc(-c2ccccc2Cl)n1 ZINC001128217374 1263781021 /nfs/dbraw/zinc/78/10/21/1263781021.db2.gz WUQSGMOSLMTDCM-UHFFFAOYSA-N -1 3 347.718 2.889 10 5 EFBEHM O=C(Nc1ccc(F)cc1OC(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001137032423 1278539465 /nfs/dbraw/zinc/53/94/65/1278539465.db2.gz NRYURDGDQGOFHV-UHFFFAOYSA-N -1 3 343.217 2.688 10 5 EFBEHM O=C([N-]c1cc2oc(=O)[nH]c2cc1F)c1cc(F)ccc1[N+](=O)[O-] ZINC001146817375 1281039257 /nfs/dbraw/zinc/03/92/57/1281039257.db2.gz KCPNFYFKKQYUMZ-UHFFFAOYSA-N -1 3 335.222 2.972 10 5 EFBEHM O=c1[n-]nc(S/C=C\c2ccc([N+](=O)[O-])o2)n1Cc1ccccc1 ZINC000096943020 1294595242 /nfs/dbraw/zinc/59/52/42/1294595242.db2.gz PCCCOIOWEGJIQH-HJWRWDBZSA-N -1 3 344.352 2.884 10 5 EFBEHM CC(=O)c1cccc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1[O-] ZINC001160321556 1311688068 /nfs/dbraw/zinc/68/80/68/1311688068.db2.gz UORLMOQSRWJOMZ-UHFFFAOYSA-N -1 3 332.287 2.823 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001288088100 1321599178 /nfs/dbraw/zinc/59/91/78/1321599178.db2.gz JKCSZEDXMONMBS-UHFFFAOYSA-N -1 3 342.355 2.609 10 5 EFBEHM COc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])cc1OC ZINC001307209984 1322868795 /nfs/dbraw/zinc/86/87/95/1322868795.db2.gz VPWIGRLGKASCIG-UHFFFAOYSA-N -1 3 346.343 2.597 10 5 EFBEHM Cn1c(CNc2cc[n-]c(=O)c2[N+](=O)[O-])nc2cc(Cl)ccc21 ZINC001307102521 1324742004 /nfs/dbraw/zinc/74/20/04/1324742004.db2.gz DMGSBXRIDSCDKS-UHFFFAOYSA-N -1 3 333.735 2.848 10 5 EFBEHM CN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC001324911897 1329658992 /nfs/dbraw/zinc/65/89/92/1329658992.db2.gz AJEUFFXESOYMQB-FUHWJXTLSA-N -1 3 345.374 2.975 10 5 EFBEHM CC(C)(O)c1cnc([N-]C(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001450644951 1392677332 /nfs/dbraw/zinc/67/73/32/1392677332.db2.gz OHUYUHQGCAJTEZ-UHFFFAOYSA-N -1 3 325.321 2.670 10 5 EFBEHM CCOc1cc(C(=O)[N-]c2ccc3cc([N+](=O)[O-])ccc3n2)on1 ZINC001457548041 1395206408 /nfs/dbraw/zinc/20/64/08/1395206408.db2.gz NQQQOCKURGTZID-UHFFFAOYSA-N -1 3 328.284 2.782 10 5 EFBEHM CCn1c(C)nc([N+](=O)[O-])c1NCCc1c(F)cc([O-])cc1F ZINC001458637980 1395532647 /nfs/dbraw/zinc/53/26/47/1395532647.db2.gz BVURAKPFXKPVLB-UHFFFAOYSA-N -1 3 326.303 2.758 10 5 EFBEHM CC(=O)c1ccc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)cc1[O-] ZINC001465563153 1396692009 /nfs/dbraw/zinc/69/20/09/1396692009.db2.gz JODFRSVCIJHVPP-UHFFFAOYSA-N -1 3 326.308 2.659 10 5 EFBEHM O=C(Cc1ccc([O-])c(F)c1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001466056709 1396734661 /nfs/dbraw/zinc/73/46/61/1396734661.db2.gz SXTIUCVYFVQIJD-UHFFFAOYSA-N -1 3 338.722 2.952 10 5 EFBEHM COc1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC001466328896 1396749446 /nfs/dbraw/zinc/74/94/46/1396749446.db2.gz FUGJQNGBTNLCSH-UHFFFAOYSA-N -1 3 330.222 2.598 10 5 EFBEHM COc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1[N+](=O)[O-] ZINC001466328896 1396749457 /nfs/dbraw/zinc/74/94/57/1396749457.db2.gz FUGJQNGBTNLCSH-UHFFFAOYSA-N -1 3 330.222 2.598 10 5 EFBEHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CC[C@@H]2CCCCN21 ZINC001546162717 1396857003 /nfs/dbraw/zinc/85/70/03/1396857003.db2.gz UTYWJVRRVSOPCC-JQWIXIFHSA-N -1 3 339.779 2.909 10 5 EFBEHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC001472109212 1397249764 /nfs/dbraw/zinc/24/97/64/1397249764.db2.gz JNPHBYNYCPLLQY-ZETCQYMHSA-N -1 3 343.265 2.531 10 5 EFBEHM Cc1cccc([O-])c1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001556208988 1415058925 /nfs/dbraw/zinc/05/89/25/1415058925.db2.gz BDYVGFMKGVXHPJ-UHFFFAOYSA-N -1 3 328.324 2.512 10 5 EFBEHM Cc1cc(=O)[n-]c(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC001557322057 1415120661 /nfs/dbraw/zinc/12/06/61/1415120661.db2.gz VZYXIUXYXBJMAA-UHFFFAOYSA-N -1 3 344.352 2.544 10 5 EFBEHM O=C(Nc1ccc(-c2ccon2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001559037802 1415220726 /nfs/dbraw/zinc/22/07/26/1415220726.db2.gz LPOIISAVBLAOHV-UHFFFAOYSA-N -1 3 326.268 2.603 10 5 EFBEHM O=c1[n-]ccc(Oc2cc(CO)cc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC001559244962 1415232981 /nfs/dbraw/zinc/23/29/81/1415232981.db2.gz JDIVEVROKRSSDE-UHFFFAOYSA-N -1 3 330.218 2.999 10 5 EFBEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001566357840 1415542184 /nfs/dbraw/zinc/54/21/84/1415542184.db2.gz NQIZLQQMUXEAJL-ZIAGYGMSSA-N -1 3 330.315 2.859 10 5 EFBEHM COc1cccc(SC)c1[N-]C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001570423978 1086215676 /nfs/dbraw/zinc/21/56/76/1086215676.db2.gz IZDYDKDHSKLNST-UHFFFAOYSA-N -1 3 342.764 2.954 10 5 EFBEHM Cc1ccc(Oc2cc[n-]c(=O)c2[N+](=O)[O-])c(Br)n1 ZINC001650952822 1093513064 /nfs/dbraw/zinc/51/30/64/1093513064.db2.gz CJIGHFDCDPPHRE-UHFFFAOYSA-N -1 3 326.106 2.954 10 5 EFBEHM C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001651187279 1093536423 /nfs/dbraw/zinc/53/64/23/1093536423.db2.gz RMBFOGFMJQSEOT-WDEREUQCSA-N -1 3 330.344 2.771 10 5 EFBEHM O=c1[n-]ccc(NCCc2ccc(OC(F)F)cc2)c1[N+](=O)[O-] ZINC001611742028 1099030283 /nfs/dbraw/zinc/03/02/83/1099030283.db2.gz ORUQSWGQCPPRDY-UHFFFAOYSA-N -1 3 325.271 2.951 10 5 EFBEHM Cc1cc(=O)[n-]c(CNc2c(Br)cccc2[N+](=O)[O-])n1 ZINC001612561319 1099068144 /nfs/dbraw/zinc/06/81/44/1099068144.db2.gz QYCFSIZCRFBVQW-UHFFFAOYSA-N -1 3 339.149 2.773 10 5 EFBEHM C[S@@](=O)(=NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC001616893461 1099200288 /nfs/dbraw/zinc/20/02/88/1099200288.db2.gz MGSRKCFJJXZZAJ-DEOSSOPVSA-N -1 3 344.352 2.768 10 5 EFBEHM CCOC(=O)c1cccc2[n-]c(NC(=O)CCC(C)(C)[N+](=O)[O-])nc21 ZINC001616996209 1099206437 /nfs/dbraw/zinc/20/64/37/1099206437.db2.gz UJNWYHBZJNYFGY-UHFFFAOYSA-N -1 3 348.359 2.514 10 5 EFBEHM O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)[N-]OC/C=C/Cl ZINC001625745122 1099846984 /nfs/dbraw/zinc/84/69/84/1099846984.db2.gz FYGOWCZPQMPFBJ-DAFODLJHSA-N -1 3 349.568 2.700 10 5 EFBEHM CNc1ccc([N+](=O)[O-])cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC001630886960 1100349859 /nfs/dbraw/zinc/34/98/59/1100349859.db2.gz TUQUNJSUHAZBSA-UHFFFAOYSA-N -1 3 339.311 2.538 10 5 EFBEHM O=C([N-]c1nncn1-c1ccccc1)c1cc([N+](=O)[O-])ccc1F ZINC001636588325 1100728851 /nfs/dbraw/zinc/72/88/51/1100728851.db2.gz USMZJIXTSMFYNU-UHFFFAOYSA-N -1 3 327.275 2.567 10 5 EFBEHM O=c1[n-]ccc(NCc2ccc(OCC(F)(F)F)nc2)c1[N+](=O)[O-] ZINC001639279652 1100933073 /nfs/dbraw/zinc/93/30/73/1100933073.db2.gz RWZLQCYEMJAGJD-UHFFFAOYSA-N -1 3 344.249 2.644 10 5 EFBEHM O=c1[n-]ccc(NCc2cc(Cl)c3c(c2)OCCO3)c1[N+](=O)[O-] ZINC001639345657 1100940725 /nfs/dbraw/zinc/94/07/25/1100940725.db2.gz JPTMHLMMSUJOES-UHFFFAOYSA-N -1 3 337.719 2.732 10 5 EFBEHM CN(Cc1ccn(-c2ccccc2)n1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001639386802 1100942853 /nfs/dbraw/zinc/94/28/53/1100942853.db2.gz WRWLQZFRHMEPRU-UHFFFAOYSA-N -1 3 325.328 2.518 10 5 EFBEHM O=c1[n-]ccc(NCCc2ccn(-c3ccccc3)n2)c1[N+](=O)[O-] ZINC001642192871 1101197432 /nfs/dbraw/zinc/19/74/32/1101197432.db2.gz ZUPALOGZOBEHPE-UHFFFAOYSA-N -1 3 325.328 2.536 10 5 EFBEHM Cc1cc2cc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])ccc2n(C)c1=O ZINC001642723704 1101236029 /nfs/dbraw/zinc/23/60/29/1101236029.db2.gz XEFXHVCGLBNNOL-UHFFFAOYSA-N -1 3 326.312 2.599 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001643129909 1101273224 /nfs/dbraw/zinc/27/32/24/1101273224.db2.gz JSEBGCRNNBCYEI-UHFFFAOYSA-N -1 3 333.735 2.536 10 5 EFBEHM O=c1[n-]ccc(NCc2ccc(F)nc2Br)c1[N+](=O)[O-] ZINC001643240569 1101283586 /nfs/dbraw/zinc/28/35/86/1101283586.db2.gz ISFSOTOJFDFURL-UHFFFAOYSA-N -1 3 343.112 2.604 10 5 EFBEHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nnn[n-]2)CC1 ZINC001651343370 1101314628 /nfs/dbraw/zinc/31/46/28/1101314628.db2.gz WFOXSJJPTMDAQS-UHFFFAOYSA-N -1 3 342.281 2.511 10 5 EFBEHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nn[n-]n2)CC1 ZINC001651343370 1101314642 /nfs/dbraw/zinc/31/46/42/1101314642.db2.gz WFOXSJJPTMDAQS-UHFFFAOYSA-N -1 3 342.281 2.511 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001651735194 1101376246 /nfs/dbraw/zinc/37/62/46/1101376246.db2.gz LJSUAMGJVCPXMY-UHFFFAOYSA-N -1 3 342.355 2.515 10 5 EFBEHM O=c1cc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)nc(C2CC2)[n-]1 ZINC001652230955 1101456754 /nfs/dbraw/zinc/45/67/54/1101456754.db2.gz AVNGXUFDPPBQCL-UHFFFAOYSA-N -1 3 341.371 2.854 10 5 EFBEHM Cn1cc(CCNc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccc(F)cc21 ZINC001655399114 1101822559 /nfs/dbraw/zinc/82/25/59/1101822559.db2.gz PQIXHDYBKSAUSU-UHFFFAOYSA-N -1 3 330.319 2.981 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC001655492156 1101835665 /nfs/dbraw/zinc/83/56/65/1101835665.db2.gz OMNVKPNIWVORGD-UHFFFAOYSA-N -1 3 330.319 2.623 10 5 EFBEHM O=c1[n-]ccc(NC[C@H](O)c2cccc3ccccc32)c1[N+](=O)[O-] ZINC001655658277 1101866641 /nfs/dbraw/zinc/86/66/41/1101866641.db2.gz XZYURHANDYETJY-HNNXBMFYSA-N -1 3 325.324 2.994 10 5 EFBEHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC001482580794 1103831394 /nfs/dbraw/zinc/83/13/94/1103831394.db2.gz WDBNBKZLDQBUSV-UHFFFAOYSA-N -1 3 343.383 2.504 10 5 EFBEHM CC(=O)CCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001669217801 1105460730 /nfs/dbraw/zinc/46/07/30/1105460730.db2.gz VIAGUSMGTIETCH-UHFFFAOYSA-N -1 3 348.808 2.676 10 5 EFBEHM COc1cc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c([N+](=O)[O-])cc1[O-] ZINC000914796298 1111380121 /nfs/dbraw/zinc/38/01/21/1111380121.db2.gz XXESQDYOPFKPQA-CQSZACIVSA-N -1 3 349.730 2.817 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000046760506 213808416 /nfs/dbraw/zinc/80/84/16/213808416.db2.gz ZTHVMPNKBCMLAI-DMDPSCGWSA-N -1 3 342.417 2.706 10 5 EFBEHM O=c1c([N+](=O)[O-])c([N-]c2ccn(-c3ccccc3)n2)nc2ccccn12 ZINC000068426489 215305867 /nfs/dbraw/zinc/30/58/67/215305867.db2.gz IHESGERODOORRE-UHFFFAOYSA-N -1 3 348.322 2.532 10 5 EFBEHM Cc1nn(Cc2nc3c4ccccc4oc3c(=O)[n-]2)c(C)c1[N+](=O)[O-] ZINC000078985135 217163732 /nfs/dbraw/zinc/16/37/32/217163732.db2.gz UVMFBNWVEVAOQI-UHFFFAOYSA-N -1 3 339.311 2.851 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C(F)(F)F)cs2)n1 ZINC000427276340 247333228 /nfs/dbraw/zinc/33/32/28/247333228.db2.gz TWOGBEIOSLDDLD-UHFFFAOYSA-N -1 3 335.267 2.539 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(C(F)(F)F)s2)n1 ZINC000427324767 247338268 /nfs/dbraw/zinc/33/82/68/247338268.db2.gz PSCPPMLXPIGCHZ-UHFFFAOYSA-N -1 3 335.267 2.539 10 5 EFBEHM Cc1onc(C(=O)[N-]c2ccn(Cc3ccccc3C)n2)c1[N+](=O)[O-] ZINC000004937451 210329267 /nfs/dbraw/zinc/32/92/67/210329267.db2.gz XIRHULBHVNBURK-UHFFFAOYSA-N -1 3 341.327 2.697 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3)cs2)n1 ZINC000344584389 142044482 /nfs/dbraw/zinc/04/44/82/142044482.db2.gz ACIZLDPVXVRZKG-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM O=C([N-]c1cc2c(=O)[nH]cnc2cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347503526 142227494 /nfs/dbraw/zinc/22/74/94/142227494.db2.gz GIRQKIZOCUIVNR-UHFFFAOYSA-N -1 3 346.249 2.774 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000342504337 145139768 /nfs/dbraw/zinc/13/97/68/145139768.db2.gz DHNWBZWIRXUGBK-QMMMGPOBSA-N -1 3 340.373 2.821 10 5 EFBEHM CCOc1ccc(C(=O)[N-]c2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000344056433 145357379 /nfs/dbraw/zinc/35/73/79/145357379.db2.gz ZRKRNINVCWSBOS-UHFFFAOYSA-N -1 3 333.348 2.592 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000352133306 146298319 /nfs/dbraw/zinc/29/83/19/146298319.db2.gz FYSDPRUSLISRQU-GRYCIOLGSA-N -1 3 342.417 2.706 10 5 EFBEHM O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000352981898 146366208 /nfs/dbraw/zinc/36/62/08/146366208.db2.gz BYXFCVKTOAUXKT-CYBMUJFWSA-N -1 3 342.311 2.590 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2nc(C3CC3)oc2C)cc([N+](=O)[O-])c1 ZINC000352988514 146367634 /nfs/dbraw/zinc/36/76/34/146367634.db2.gz QDOPQAMTHBRVAK-UHFFFAOYSA-N -1 3 345.311 2.808 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000353007624 146372324 /nfs/dbraw/zinc/37/23/24/146372324.db2.gz XCULPUCGJCLHLE-ZETCQYMHSA-N -1 3 348.352 2.974 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)C(C)C ZINC000189025391 265168194 /nfs/dbraw/zinc/16/81/94/265168194.db2.gz MSZXKRMHVVSQDT-UHFFFAOYSA-N -1 3 330.406 2.564 10 5 EFBEHM CC(C)Cn1ncc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C(C)C ZINC000445132904 275605004 /nfs/dbraw/zinc/60/50/04/275605004.db2.gz IDNHVQAYMOMROW-UHFFFAOYSA-N -1 3 347.375 2.924 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000295182020 295279041 /nfs/dbraw/zinc/27/90/41/295279041.db2.gz IWKWNRJCGNUSJM-UHFFFAOYSA-N -1 3 326.296 2.522 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000189920107 301556601 /nfs/dbraw/zinc/55/66/01/301556601.db2.gz JILHMTPBBGOGFV-CYBMUJFWSA-N -1 3 348.380 2.624 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCCC(C)(F)F)c1[N+](=O)[O-] ZINC000296999335 310840353 /nfs/dbraw/zinc/84/03/53/310840353.db2.gz JMSPGFSJGBPSJF-UHFFFAOYSA-N -1 3 336.360 2.925 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC[C@H](F)C1 ZINC000425157027 312516493 /nfs/dbraw/zinc/51/64/93/312516493.db2.gz NRGHKONJDIQGTM-NEPJUHHUSA-N -1 3 332.335 2.874 10 5 EFBEHM CC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000487827833 313430944 /nfs/dbraw/zinc/43/09/44/313430944.db2.gz ZUZHGDGYEGDWSQ-HNNXBMFYSA-N -1 3 344.371 2.517 10 5 EFBEHM COC(=O)c1ccc(Cl)c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000531635018 317294956 /nfs/dbraw/zinc/29/49/56/317294956.db2.gz OXDUCGBKKGBSTC-UHFFFAOYSA-N -1 3 335.703 2.682 10 5 EFBEHM O=C([N-]c1nc(-c2ccccn2)cs1)c1ccc([N+](=O)[O-])cn1 ZINC000532144418 317362011 /nfs/dbraw/zinc/36/20/11/317362011.db2.gz DIEHULXMTGPDOA-UHFFFAOYSA-N -1 3 327.325 2.761 10 5 EFBEHM CCOc1cc(-c2noc(-c3ccc([N+](=O)[O-])cn3)n2)ccc1[O-] ZINC000562476604 318653015 /nfs/dbraw/zinc/65/30/15/318653015.db2.gz YQIAGQPQUAADFM-UHFFFAOYSA-N -1 3 328.284 2.811 10 5 EFBEHM CCOC(=O)c1cc(C(=O)[N-]c2cc(CC)on2)cc([N+](=O)[O-])c1 ZINC000610076028 450136565 /nfs/dbraw/zinc/13/65/65/450136565.db2.gz ZACBQLXQPFWJSD-UHFFFAOYSA-N -1 3 333.300 2.574 10 5 EFBEHM CCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)sc2c1 ZINC000139689189 473235857 /nfs/dbraw/zinc/23/58/57/473235857.db2.gz CNQQQWCQJAPDBO-UHFFFAOYSA-N -1 3 344.352 2.708 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccsc1 ZINC000619751947 479874076 /nfs/dbraw/zinc/87/40/76/479874076.db2.gz DEBYAKFFAAGDQL-SECBINFHSA-N -1 3 342.398 2.704 10 5 EFBEHM O=C([N-]c1ccncc1[N+](=O)[O-])c1ccn(-c2ccccc2F)n1 ZINC000067169232 472001822 /nfs/dbraw/zinc/00/18/22/472001822.db2.gz YCNPHPUJLFSUIY-UHFFFAOYSA-N -1 3 327.275 2.567 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000067877276 472102774 /nfs/dbraw/zinc/10/27/74/472102774.db2.gz GSYCULGEKRIIHJ-KGLIPLIRSA-N -1 3 332.381 2.738 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000067950921 472114291 /nfs/dbraw/zinc/11/42/91/472114291.db2.gz VSFGTXAFTTZWFI-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000067951116 472114802 /nfs/dbraw/zinc/11/48/02/472114802.db2.gz CJEVZMJXVFQFQS-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1nc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)cs1 ZINC000069334412 472323206 /nfs/dbraw/zinc/32/32/06/472323206.db2.gz AHYBNACQNSZSFH-UHFFFAOYSA-N -1 3 335.341 2.773 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2scnc2C2CC2)cc([N+](=O)[O-])c1 ZINC000089812075 472513694 /nfs/dbraw/zinc/51/36/94/472513694.db2.gz LKYQNAPRCXDQQI-UHFFFAOYSA-N -1 3 347.352 2.968 10 5 EFBEHM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1F ZINC000098117603 472521212 /nfs/dbraw/zinc/52/12/12/472521212.db2.gz SAYWMBFQXUGHMQ-UHFFFAOYSA-N -1 3 330.362 2.582 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)c(F)c1 ZINC000098117495 472521398 /nfs/dbraw/zinc/52/13/98/472521398.db2.gz QEYQGOLYAUCTIE-ZETCQYMHSA-N -1 3 348.352 2.974 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1[N-]c1ccn(Cc2cccc3cccnc32)n1 ZINC000100766740 472528731 /nfs/dbraw/zinc/52/87/31/472528731.db2.gz XEQNVOMKEHEIPT-UHFFFAOYSA-N -1 3 349.354 2.865 10 5 EFBEHM O=[N+]([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000131299527 472663234 /nfs/dbraw/zinc/66/32/34/472663234.db2.gz WRLOYNHYBFTLMO-UHFFFAOYSA-N -1 3 344.751 2.866 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccccn2)cc1C ZINC000178913845 473590175 /nfs/dbraw/zinc/59/01/75/473590175.db2.gz OMPOMKOIFIIANL-UHFFFAOYSA-N -1 3 349.412 2.518 10 5 EFBEHM O=C(c1cccc([O-])c1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182525492 474197434 /nfs/dbraw/zinc/19/74/34/474197434.db2.gz WLWKDYKFRGGNJO-UHFFFAOYSA-N -1 3 342.351 2.984 10 5 EFBEHM CSCCCC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189980425 474525115 /nfs/dbraw/zinc/52/51/15/474525115.db2.gz JBVHAEZVOPLGDN-UHFFFAOYSA-N -1 3 332.447 2.633 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CC(C(C)(C)C)C1 ZINC000339019774 474840859 /nfs/dbraw/zinc/84/08/59/474840859.db2.gz BDYLIWGWTKLFHL-UHFFFAOYSA-N -1 3 342.417 2.706 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c([N+](=O)[O-])c1 ZINC000255837678 474906754 /nfs/dbraw/zinc/90/67/54/474906754.db2.gz GHGFFVOYTIIAAL-YVMONPNESA-N -1 3 348.380 2.595 10 5 EFBEHM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cccc21 ZINC000345528031 475242114 /nfs/dbraw/zinc/24/21/14/475242114.db2.gz USGDWVBYACJHMY-ZDUSSCGKSA-N -1 3 330.344 2.560 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3F)cs2)n1 ZINC000357961890 475296308 /nfs/dbraw/zinc/29/63/08/475296308.db2.gz AMZDMUSTLWOXKB-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F ZINC000345616301 475309515 /nfs/dbraw/zinc/30/95/15/475309515.db2.gz WFZCPGHZIZRPSR-LLVKDONJSA-N -1 3 340.323 2.768 10 5 EFBEHM CC(C)C[C@@H](CN1CCCC1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000296541000 475362272 /nfs/dbraw/zinc/36/22/72/475362272.db2.gz XSLBLLDJHUHBQW-ZDUSSCGKSA-N -1 3 335.404 2.541 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000345715366 475389886 /nfs/dbraw/zinc/38/98/86/475389886.db2.gz IKBZKGPYWUUZBJ-JTQLQIEISA-N -1 3 326.296 2.522 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1C ZINC000354776440 475400271 /nfs/dbraw/zinc/40/02/71/475400271.db2.gz YHABUCRDOLNFMJ-VXGBXAGGSA-N -1 3 342.417 2.708 10 5 EFBEHM O=C(Nc1ccccc1[O-])C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000340054451 475720449 /nfs/dbraw/zinc/72/04/49/475720449.db2.gz IDVZBMPPRKXSPC-UHFFFAOYSA-N -1 3 342.355 2.551 10 5 EFBEHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2cc(F)c(F)cc21 ZINC000343118186 475783440 /nfs/dbraw/zinc/78/34/40/475783440.db2.gz AZCSGPMASKZOHP-UHFFFAOYSA-N -1 3 344.277 2.952 10 5 EFBEHM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c(CN(C)C)c1 ZINC000343464069 476075705 /nfs/dbraw/zinc/07/57/05/476075705.db2.gz WGPNEHWVNMEPGB-UHFFFAOYSA-N -1 3 329.356 2.923 10 5 EFBEHM CN(CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000336784006 476130196 /nfs/dbraw/zinc/13/01/96/476130196.db2.gz SMSNRHXBLNZYGM-UHFFFAOYSA-N -1 3 343.383 2.552 10 5 EFBEHM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000360888370 476456346 /nfs/dbraw/zinc/45/63/46/476456346.db2.gz LWELSWBSXOZROJ-WDEREUQCSA-N -1 3 330.406 2.706 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccccc3F)co2)n1 ZINC000360945762 476493417 /nfs/dbraw/zinc/49/34/17/476493417.db2.gz GGXJSEXHGKWZCK-UHFFFAOYSA-N -1 3 345.290 2.858 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000354490390 476685108 /nfs/dbraw/zinc/68/51/08/476685108.db2.gz QJOMPHKRGMJMKC-GMXVVIOVSA-N -1 3 342.417 2.706 10 5 EFBEHM Cc1c([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000430086220 476753091 /nfs/dbraw/zinc/75/30/91/476753091.db2.gz QJMNKOQCMWSUQR-UHFFFAOYSA-N -1 3 335.385 2.770 10 5 EFBEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416366084 477147117 /nfs/dbraw/zinc/14/71/17/477147117.db2.gz BTAMOPNWOCOPAQ-SFYZADRCSA-N -1 3 338.307 2.548 10 5 EFBEHM CC(C)c1[nH]nc(C(=O)N=c2cc(C3(C)CCCC3)o[n-]2)c1[N+](=O)[O-] ZINC000448413286 477174379 /nfs/dbraw/zinc/17/43/79/477174379.db2.gz JASFSUBJDRLFHL-UHFFFAOYSA-N -1 3 347.375 2.935 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416565833 477219583 /nfs/dbraw/zinc/21/95/83/477219583.db2.gz UDNDEPYKLFBJMZ-UHFFFAOYSA-N -1 3 334.344 2.697 10 5 EFBEHM Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000432760615 477260509 /nfs/dbraw/zinc/26/05/09/477260509.db2.gz VPCMRKNCQPLZAQ-UHFFFAOYSA-N -1 3 335.385 2.770 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426645166 477730297 /nfs/dbraw/zinc/73/02/97/477730297.db2.gz ZGVZHOPBOZIQCU-INIZCTEOSA-N -1 3 348.330 2.664 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C12CCC(CC1)CC2 ZINC000451079574 477811735 /nfs/dbraw/zinc/81/17/35/477811735.db2.gz BBDAPWUNLWDCPZ-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc3c(cc2Cl)CCC3=O)n1 ZINC000429468729 478139695 /nfs/dbraw/zinc/13/96/95/478139695.db2.gz DOGVEQLVXHPPAW-UHFFFAOYSA-N -1 3 348.746 2.846 10 5 EFBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C12CCC(CC1)CC2 ZINC000590744848 478315177 /nfs/dbraw/zinc/31/51/77/478315177.db2.gz KRDPEPMDFUTUGR-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM O=C(Nc1cccc(C2CCOCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600427950 478373195 /nfs/dbraw/zinc/37/31/95/478373195.db2.gz UCERIJJKXYHZPY-UHFFFAOYSA-N -1 3 343.339 2.842 10 5 EFBEHM CCOC(=O)c1cc(C(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000597665405 478453995 /nfs/dbraw/zinc/45/39/95/478453995.db2.gz HSBBDRCSHNXMBC-UHFFFAOYSA-N -1 3 333.300 2.629 10 5 EFBEHM O=C([O-])[C@@H]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000591754124 478619549 /nfs/dbraw/zinc/61/95/49/478619549.db2.gz DIBPPMPIHMZCLS-SCZZXKLOSA-N -1 3 330.287 2.539 10 5 EFBEHM O=C([O-])CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000595280599 478711460 /nfs/dbraw/zinc/71/14/60/478711460.db2.gz PCZGCWVXDYLNQZ-UHFFFAOYSA-N -1 3 344.367 2.951 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2C(C)(C)C2(F)F)c1C ZINC000595350407 478742164 /nfs/dbraw/zinc/74/21/64/478742164.db2.gz CMIYYSFAUJXFKA-LLVKDONJSA-N -1 3 348.371 2.781 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595358613 478745643 /nfs/dbraw/zinc/74/56/43/478745643.db2.gz GCVQYUKFBCPUER-UNXYVOJBSA-N -1 3 330.381 2.790 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]CCc2ccsc2)c([N+](=O)[O-])s1 ZINC000601302207 478775158 /nfs/dbraw/zinc/77/51/58/478775158.db2.gz JRHHRZIWLSDGRC-UHFFFAOYSA-N -1 3 332.428 2.547 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)c([N+](=O)[O-])s1 ZINC000601313850 478780567 /nfs/dbraw/zinc/78/05/67/478780567.db2.gz VGFNHTIXPQMICL-QMMMGPOBSA-N -1 3 346.455 2.936 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]Cc2sccc2C)c([N+](=O)[O-])s1 ZINC000601320105 478786399 /nfs/dbraw/zinc/78/63/99/478786399.db2.gz VYVJKARMFSJPPH-UHFFFAOYSA-N -1 3 332.428 2.813 10 5 EFBEHM CCCn1c(=O)[n-]nc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000505460984 478870423 /nfs/dbraw/zinc/87/04/23/478870423.db2.gz HMKLCKKBSPZRPJ-UHFFFAOYSA-N -1 3 330.316 2.872 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000598681283 478966483 /nfs/dbraw/zinc/96/64/83/478966483.db2.gz KJLPQRZFBXKNPJ-ZLKJLUDKSA-N -1 3 326.356 2.782 10 5 EFBEHM CC(C)(C)OC(=O)c1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000598746868 479002629 /nfs/dbraw/zinc/00/26/29/479002629.db2.gz RSXUCFSXADAQAT-UHFFFAOYSA-N -1 3 344.327 2.592 10 5 EFBEHM COc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)c([N+](=O)[O-])cc1F ZINC000592949100 479106509 /nfs/dbraw/zinc/10/65/09/479106509.db2.gz DWBYXJQPQFSTEL-UHFFFAOYSA-N -1 3 336.323 2.572 10 5 EFBEHM CCN(Cc1c([O-])c(C)ncc1CO)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000599094025 479158755 /nfs/dbraw/zinc/15/87/55/479158755.db2.gz YFXAXRYDHRIXBI-UHFFFAOYSA-N -1 3 346.387 2.534 10 5 EFBEHM O=c1[n-]ccc(N[C@H]2CCOC3(CCSCC3)C2)c1[N+](=O)[O-] ZINC000596167098 479175735 /nfs/dbraw/zinc/17/57/35/479175735.db2.gz CZGSYNHPAVXBCK-JTQLQIEISA-N -1 3 325.390 2.552 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c1C ZINC000610800443 479192627 /nfs/dbraw/zinc/19/26/27/479192627.db2.gz WYMSUGNLYDFZLB-LBPRGKRZSA-N -1 3 349.412 2.689 10 5 EFBEHM CC(C)n1cnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)n1 ZINC000593234117 479253771 /nfs/dbraw/zinc/25/37/71/479253771.db2.gz YRVKVEUNAZOINB-UHFFFAOYSA-N -1 3 341.274 2.621 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000599411383 479288027 /nfs/dbraw/zinc/28/80/27/479288027.db2.gz GIFUIJCGHBEYOF-INIZCTEOSA-N -1 3 347.396 2.810 10 5 EFBEHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593540766 479382529 /nfs/dbraw/zinc/38/25/29/479382529.db2.gz AWOMIYDQQWIYHW-CYBMUJFWSA-N -1 3 349.412 2.516 10 5 EFBEHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000588144578 479398437 /nfs/dbraw/zinc/39/84/37/479398437.db2.gz OMKMFZSZXMSUTM-GFCCVEGCSA-N -1 3 334.344 2.623 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCC2)nc1 ZINC000593613386 479403334 /nfs/dbraw/zinc/40/33/34/479403334.db2.gz SWJRSIONRRYKER-OAHLLOKOSA-N -1 3 339.417 2.627 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)(C)C ZINC000593627509 479408129 /nfs/dbraw/zinc/40/81/29/479408129.db2.gz FSQJUMHDAORUMR-CMPLNLGQSA-N -1 3 342.417 2.706 10 5 EFBEHM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631573 479416370 /nfs/dbraw/zinc/41/63/70/479416370.db2.gz ONMMXWCLXCIXKJ-WCQYABFASA-N -1 3 342.417 2.851 10 5 EFBEHM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000603631572 479416435 /nfs/dbraw/zinc/41/64/35/479416435.db2.gz ONMMXWCLXCIXKJ-DGCLKSJQSA-N -1 3 342.417 2.851 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000604019988 479464428 /nfs/dbraw/zinc/46/44/28/479464428.db2.gz XMTFLKRTYWOROB-HNNXBMFYSA-N -1 3 346.408 2.739 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN2c3ccccc3C[C@@H]2C1 ZINC000589518776 479537157 /nfs/dbraw/zinc/53/71/57/479537157.db2.gz DVYMSHLRAODWAP-MRXNPFEDSA-N -1 3 339.395 2.937 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1F ZINC000119042294 525575963 /nfs/dbraw/zinc/57/59/63/525575963.db2.gz BZTIUYFEAYNDQL-SSDOTTSWSA-N -1 3 348.352 2.974 10 5 EFBEHM CCSCc1ccnc([N-]C(=O)c2nn(CC)cc2[N+](=O)[O-])c1 ZINC000191691783 535696354 /nfs/dbraw/zinc/69/63/54/535696354.db2.gz MUKOQWBFTXQPOD-UHFFFAOYSA-N -1 3 335.389 2.712 10 5 EFBEHM CCc1[nH]nc(C(=O)[N-]c2csc(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000345996167 536008766 /nfs/dbraw/zinc/00/87/66/536008766.db2.gz GGSRSUUTIMTGIF-UHFFFAOYSA-N -1 3 344.356 2.651 10 5 EFBEHM COc1ccc(F)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000194644847 536609958 /nfs/dbraw/zinc/60/99/58/536609958.db2.gz QMOXTOJKFPUOFI-UHFFFAOYSA-N -1 3 326.305 2.543 10 5 EFBEHM O=C([N-]c1c(F)cccc1-n1cccn1)c1ccc([N+](=O)[O-])cn1 ZINC000762205349 576274333 /nfs/dbraw/zinc/27/43/33/576274333.db2.gz XGYAADQGABPYHW-UHFFFAOYSA-N -1 3 327.275 2.567 10 5 EFBEHM O=Cc1n[n-]c2cc(C(=O)OCc3csc([N+](=O)[O-])c3)ccc12 ZINC000766185095 577118510 /nfs/dbraw/zinc/11/85/10/577118510.db2.gz STTZQJJPJAQISR-UHFFFAOYSA-N -1 3 331.309 2.702 10 5 EFBEHM O=Cc1[n-]nc2cc(C(=O)OCc3csc([N+](=O)[O-])c3)ccc12 ZINC000766185095 577118511 /nfs/dbraw/zinc/11/85/11/577118511.db2.gz STTZQJJPJAQISR-UHFFFAOYSA-N -1 3 331.309 2.702 10 5 EFBEHM COc1cc(CN[C@@H]2C[C@@H](O)c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000850371458 1250452182 /nfs/dbraw/zinc/45/21/82/1250452182.db2.gz JVNZALLKDDDPES-UKRRQHHQSA-N -1 3 330.340 2.577 10 5 EFBEHM COc1cc(CN[C@H]2c3ccccc3OC[C@@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000922524262 1266198798 /nfs/dbraw/zinc/19/87/98/1266198798.db2.gz CQALJNFRXPVCBW-SJCJKPOMSA-N -1 3 348.330 2.870 10 5 EFBEHM C[C@]1(CC[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000845974970 1279952459 /nfs/dbraw/zinc/95/24/59/1279952459.db2.gz NRLZDRGGWVIZOA-UWVGGRQHSA-N -1 3 342.801 2.639 10 5 EFBEHM O=C([N-]Cc1cccnc1F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000794008888 1279997800 /nfs/dbraw/zinc/99/78/00/1279997800.db2.gz HLHJWKBBLPVLCO-UHFFFAOYSA-N -1 3 325.246 2.537 10 5 EFBEHM C[C@]1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000853843974 1300303389 /nfs/dbraw/zinc/30/33/89/1300303389.db2.gz RTOLSNFWKTXPOO-LLVKDONJSA-N -1 3 336.241 2.728 10 5 EFBEHM O=c1[n-]c(CSc2ccc([N+](=O)[O-])cc2F)nc2c1COCC2 ZINC000865363006 1303230290 /nfs/dbraw/zinc/23/02/90/1303230290.db2.gz GDTMJNCDAIKCKU-UHFFFAOYSA-N -1 3 337.332 2.595 10 5 EFBEHM CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CCC1(C)C ZINC000871157450 1305852154 /nfs/dbraw/zinc/85/21/54/1305852154.db2.gz NHCGIPFJXCNSRM-UHFFFAOYSA-N -1 3 341.795 2.510 10 5 EFBEHM CN(Cc1nc(-c2ccccc2)c[nH]1)c1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001162741410 1312165084 /nfs/dbraw/zinc/16/50/84/1312165084.db2.gz CUKFAVALFZXBKJ-UHFFFAOYSA-N -1 3 325.328 2.722 10 5 EFBEHM Cc1cccc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)c1[N+](=O)[O-] ZINC001288070797 1321598819 /nfs/dbraw/zinc/59/88/19/1321598819.db2.gz JMMSBVGFNFHFFT-JTQLQIEISA-N -1 3 334.357 2.859 10 5 EFBEHM Cc1ccc([N-]C(=O)c2ncoc2C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC001304501153 1324652303 /nfs/dbraw/zinc/65/23/03/1324652303.db2.gz PYVXZJPXUJOIND-UHFFFAOYSA-N -1 3 330.222 2.745 10 5 EFBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001326457101 1329758123 /nfs/dbraw/zinc/75/81/23/1329758123.db2.gz WNCBKNXBRHTDKF-UHFFFAOYSA-N -1 3 327.406 2.627 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1C ZINC001350017197 1333025527 /nfs/dbraw/zinc/02/55/27/1333025527.db2.gz FHPPVNCGPJPYEI-JGPRNRPPSA-N -1 3 346.355 2.534 10 5 EFBEHM COc1ccc(NC(=O)c2cnc3ccccc3c2[O-])c([N+](=O)[O-])c1 ZINC001350450428 1333084107 /nfs/dbraw/zinc/08/41/07/1333084107.db2.gz CLYMXFQWKSEWSP-UHFFFAOYSA-N -1 3 339.307 2.697 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2c(Cl)cncc2Cl)n1 ZINC001355660040 1334842821 /nfs/dbraw/zinc/84/28/21/1334842821.db2.gz SSYNYUITDJUADK-UHFFFAOYSA-N -1 3 327.127 2.674 10 5 EFBEHM CCC(CC)Nc1ccncc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001468497830 1396962680 /nfs/dbraw/zinc/96/26/80/1396962680.db2.gz GKRDLDZCRDELIS-UHFFFAOYSA-N -1 3 344.371 2.970 10 5 EFBEHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C1 ZINC001559967878 1415260035 /nfs/dbraw/zinc/26/00/35/1415260035.db2.gz NNBKVMZNUQRYAG-QGZVFWFLSA-N -1 3 341.411 2.659 10 5 EFBEHM O=C(Nc1c(F)cccc1NC1CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001566196763 1415534445 /nfs/dbraw/zinc/53/44/45/1415534445.db2.gz OLNPIRQDHQVKFZ-UHFFFAOYSA-N -1 3 332.291 2.661 10 5 EFBEHM O=C(CCc1ccc([N+](=O)[O-])cc1Cl)[N-]OCc1cccnc1 ZINC001566547806 1415631779 /nfs/dbraw/zinc/63/17/79/1415631779.db2.gz GSSXTTLLYYBHFU-UHFFFAOYSA-N -1 3 335.747 2.824 10 5 EFBEHM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCC1 ZINC000167417500 717952704 /nfs/dbraw/zinc/95/27/04/717952704.db2.gz INEXPADDUTUNOK-UHFFFAOYSA-N -1 3 349.206 2.578 10 5 EFBEHM CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884340 719677935 /nfs/dbraw/zinc/67/79/35/719677935.db2.gz FORFMUHMFNNASQ-IUCAKERBSA-N -1 3 336.460 2.527 10 5 EFBEHM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001569456829 1085244021 /nfs/dbraw/zinc/24/40/21/1085244021.db2.gz UVHDTZIAJYIYIB-UHFFFAOYSA-N -1 3 342.311 2.584 10 5 EFBEHM Nc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC001570051840 1085905629 /nfs/dbraw/zinc/90/56/29/1085905629.db2.gz ZIGOKRLMAJAWKR-UHFFFAOYSA-N -1 3 333.319 2.983 10 5 EFBEHM CNc1nccc(C(=O)[N-]c2cc(F)c(F)cc2F)c1[N+](=O)[O-] ZINC001585614269 1092523972 /nfs/dbraw/zinc/52/39/72/1092523972.db2.gz IQCRHMSIJZNDGD-UHFFFAOYSA-N -1 3 326.234 2.701 10 5 EFBEHM Cc1cc(=O)[n-]c(CNc2c3cccc(Cl)c3ncc2[N+](=O)[O-])n1 ZINC001612561446 1099067878 /nfs/dbraw/zinc/06/78/78/1099067878.db2.gz SMHAVTFGGAGSGU-UHFFFAOYSA-N -1 3 345.746 2.634 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1Cl ZINC001624725936 1099723521 /nfs/dbraw/zinc/72/35/21/1099723521.db2.gz UXSGONSJSSYWHI-UHFFFAOYSA-N -1 3 348.746 2.645 10 5 EFBEHM O=C(NCCCc1c[n-][nH]c1=O)c1cc2ccccc2c2cccnc12 ZINC001630632493 1100323670 /nfs/dbraw/zinc/32/36/70/1100323670.db2.gz URCZJYVTPVYMMO-CQSZACIVSA-N -1 3 346.390 2.630 10 5 EFBEHM CC(C)n1c2ccccc2nc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001633082421 1100521489 /nfs/dbraw/zinc/52/14/89/1100521489.db2.gz UDSYUNQTDHYRHE-UHFFFAOYSA-N -1 3 341.327 2.878 10 5 EFBEHM CCOC(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[n-]n1 ZINC001633245460 1100530684 /nfs/dbraw/zinc/53/06/84/1100530684.db2.gz QAYLJXOTVVIILZ-UHFFFAOYSA-N -1 3 346.343 2.672 10 5 EFBEHM CCOC(=O)c1cc(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)n[n-]1 ZINC001633245460 1100530687 /nfs/dbraw/zinc/53/06/87/1100530687.db2.gz QAYLJXOTVVIILZ-UHFFFAOYSA-N -1 3 346.343 2.672 10 5 EFBEHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC001636490087 1100721781 /nfs/dbraw/zinc/72/17/81/1100721781.db2.gz RFNXFVCSLUDWJO-UHFFFAOYSA-N -1 3 340.133 2.952 10 5 EFBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001640085982 1101013051 /nfs/dbraw/zinc/01/30/51/1101013051.db2.gz BQSCEMRIJTZPEV-NXEZZACHSA-N -1 3 348.334 2.910 10 5 EFBEHM C[C@H](Nc1ncc(Cl)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001640461723 1101048887 /nfs/dbraw/zinc/04/88/87/1101048887.db2.gz JYTAORUDQSNGPY-BYPYZUCNSA-N -1 3 336.661 2.953 10 5 EFBEHM O=c1cc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)nc(C2CC2)[n-]1 ZINC001641480948 1101141241 /nfs/dbraw/zinc/14/12/41/1101141241.db2.gz FSTODDGMUOYTEA-UHFFFAOYSA-N -1 3 337.339 2.880 10 5 EFBEHM O=c1[n-]ccc(NCCn2cncc2-c2ccccc2)c1[N+](=O)[O-] ZINC001643002264 1101262651 /nfs/dbraw/zinc/26/26/51/1101262651.db2.gz GBSMDGKQVUAIQH-UHFFFAOYSA-N -1 3 325.328 2.671 10 5 EFBEHM Cc1c(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cccc1[N+](=O)[O-] ZINC001652795441 1101545774 /nfs/dbraw/zinc/54/57/74/1101545774.db2.gz VBOGFJJEJUGBKL-SSDOTTSWSA-N -1 3 343.265 2.531 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC001654688782 1101747739 /nfs/dbraw/zinc/74/77/39/1101747739.db2.gz GAVKMEMRDPHXHR-UHFFFAOYSA-N -1 3 330.319 2.623 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccc(C)o1 ZINC000052782639 214144496 /nfs/dbraw/zinc/14/44/96/214144496.db2.gz NHYNNGATBVETEM-JTQLQIEISA-N -1 3 340.357 2.544 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)c1ccc(C)o1 ZINC000052782638 214144081 /nfs/dbraw/zinc/14/40/81/214144081.db2.gz NHYNNGATBVETEM-SNVBAGLBSA-N -1 3 340.357 2.544 10 5 EFBEHM COc1ccc(OC)c([N-]c2ncnc(OC(C)C)c2[N+](=O)[O-])c1 ZINC000040619486 213360114 /nfs/dbraw/zinc/36/01/14/213360114.db2.gz DQKYUPQJJXYDQG-UHFFFAOYSA-N -1 3 334.332 2.933 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000434759729 248187768 /nfs/dbraw/zinc/18/77/68/248187768.db2.gz OZTRCECDOTVOHA-UHFFFAOYSA-N -1 3 330.431 2.966 10 5 EFBEHM CCc1[n-][nH]c(=NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)c1C ZINC000449847754 251175000 /nfs/dbraw/zinc/17/50/00/251175000.db2.gz CDBZDVYXWXJNQE-UHFFFAOYSA-N -1 3 342.277 2.882 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2(F)CCC2)c1C ZINC000344899880 142095214 /nfs/dbraw/zinc/09/52/14/142095214.db2.gz FTCYKFKOEATDMQ-UHFFFAOYSA-N -1 3 330.381 2.772 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000342493921 145138378 /nfs/dbraw/zinc/13/83/78/145138378.db2.gz SCRKZDKRLUWSMC-UHFFFAOYSA-N -1 3 332.428 2.547 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(F)cccc1F ZINC000353007623 146372455 /nfs/dbraw/zinc/37/24/55/146372455.db2.gz XCULPUCGJCLHLE-SSDOTTSWSA-N -1 3 348.352 2.974 10 5 EFBEHM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000356260288 147192394 /nfs/dbraw/zinc/19/23/94/147192394.db2.gz VNXXXPKOFLPCSE-SJCJKPOMSA-N -1 3 343.383 2.722 10 5 EFBEHM COc1cc(CNc2cccc3c2OCC[C@@H]3O)c([N+](=O)[O-])cc1[O-] ZINC000373318527 151151740 /nfs/dbraw/zinc/15/17/40/151151740.db2.gz NFNWTGVRDRJWND-AWEZNQCLSA-N -1 3 346.339 2.737 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000277565260 267199472 /nfs/dbraw/zinc/19/94/72/267199472.db2.gz SGONUFIAICUXQI-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269487686 273081632 /nfs/dbraw/zinc/08/16/32/273081632.db2.gz RADKXKFAFXOFMU-SFYZADRCSA-N -1 3 338.307 2.548 10 5 EFBEHM CN(C)CCN(Cc1cccs1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000280893744 273378501 /nfs/dbraw/zinc/37/85/01/273378501.db2.gz DHGOZKWXJRKXBL-UHFFFAOYSA-N -1 3 349.412 2.566 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000067950815 292700093 /nfs/dbraw/zinc/70/00/93/292700093.db2.gz FCZWLHJWOUXSSI-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM CN1CC[C@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177129 290220926 /nfs/dbraw/zinc/22/09/26/290220926.db2.gz ZXBVGJGFVMPIIP-WMZOPIPTSA-N -1 3 327.384 2.835 10 5 EFBEHM Cc1cnc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000080295200 292801949 /nfs/dbraw/zinc/80/19/49/292801949.db2.gz GDNAGTQLUGJOMZ-UHFFFAOYSA-N -1 3 347.443 2.635 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2nc3c(s2)CCC3)cc([N+](=O)[O-])c1 ZINC000415208137 312114146 /nfs/dbraw/zinc/11/41/46/312114146.db2.gz UQJYKYMTBMDZSH-UHFFFAOYSA-N -1 3 347.352 2.579 10 5 EFBEHM O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)Nc1ccc([O-])cc1F ZINC000487149566 313370705 /nfs/dbraw/zinc/37/07/05/313370705.db2.gz AXDBMTATXJFWOY-UHFFFAOYSA-N -1 3 326.230 2.899 10 5 EFBEHM COc1ccc(NC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)c([O-])c1 ZINC000487375535 313388379 /nfs/dbraw/zinc/38/83/79/313388379.db2.gz LGCZEBYJHZNXGE-UHFFFAOYSA-N -1 3 338.266 2.768 10 5 EFBEHM COCc1nc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)co1 ZINC000548519956 318116986 /nfs/dbraw/zinc/11/69/86/318116986.db2.gz JZJLIVMFXOBWCD-UHFFFAOYSA-N -1 3 343.242 2.583 10 5 EFBEHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccccc1[O-] ZINC000558282864 318461786 /nfs/dbraw/zinc/46/17/86/318461786.db2.gz GEQMRTACYVIVNV-UHFFFAOYSA-N -1 3 325.324 2.754 10 5 EFBEHM CC(C)OCc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1[O-] ZINC000575909158 319964605 /nfs/dbraw/zinc/96/46/05/319964605.db2.gz FUSMDDUUWAYFNG-UHFFFAOYSA-N -1 3 331.328 2.873 10 5 EFBEHM COc1ccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc1[N+](=O)[O-] ZINC000184910443 323377433 /nfs/dbraw/zinc/37/74/33/323377433.db2.gz MVMQAZPKYMHHRL-UHFFFAOYSA-N -1 3 345.359 2.952 10 5 EFBEHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1[N-]c1ccn(CC(F)F)n1 ZINC000601125970 449704968 /nfs/dbraw/zinc/70/49/68/449704968.db2.gz TUCICSVZBGKEGF-UHFFFAOYSA-N -1 3 340.212 2.552 10 5 EFBEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000088253759 462620128 /nfs/dbraw/zinc/62/01/28/462620128.db2.gz HYEWCDFCDBGVHI-UHFFFAOYSA-N -1 3 331.719 2.852 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccsc1 ZINC000619751948 479873644 /nfs/dbraw/zinc/87/36/44/479873644.db2.gz DEBYAKFFAAGDQL-VIFPVBQESA-N -1 3 342.398 2.704 10 5 EFBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592108924 478780087 /nfs/dbraw/zinc/78/00/87/478780087.db2.gz UXMDKLUKVYVUNX-ATZCPNFKSA-N -1 3 330.793 2.715 10 5 EFBEHM CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601359351 478801907 /nfs/dbraw/zinc/80/19/07/478801907.db2.gz HMQNQQIIWAACNI-QMMMGPOBSA-N -1 3 338.476 2.775 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000067950816 472114605 /nfs/dbraw/zinc/11/46/05/472114605.db2.gz FCZWLHJWOUXSSI-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000055972152 472265967 /nfs/dbraw/zinc/26/59/67/472265967.db2.gz MOWHAWAQXAXXIQ-QMMMGPOBSA-N -1 3 330.362 2.835 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCCc1cccc(F)c1 ZINC000068938996 472268533 /nfs/dbraw/zinc/26/85/33/472268533.db2.gz FUVKPKJUGLTGLN-UHFFFAOYSA-N -1 3 338.360 2.645 10 5 EFBEHM COCc1csc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n1 ZINC000089587372 472462177 /nfs/dbraw/zinc/46/21/77/472462177.db2.gz OKUHOTRGCQUNGZ-UHFFFAOYSA-N -1 3 325.321 2.898 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000063186812 472758751 /nfs/dbraw/zinc/75/87/51/472758751.db2.gz BDDUMXBPMYPONJ-JSGCOSHPSA-N -1 3 336.344 2.568 10 5 EFBEHM CC[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000177794476 473436607 /nfs/dbraw/zinc/43/66/07/473436607.db2.gz QLCPPVJUTWXHMY-ZDUSSCGKSA-N -1 3 325.328 2.747 10 5 EFBEHM CC[C@@H](NC(=O)c1cccc2nn[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC000182795108 474257096 /nfs/dbraw/zinc/25/70/96/474257096.db2.gz HIMOVXKPQWXZNT-CYBMUJFWSA-N -1 3 325.328 2.747 10 5 EFBEHM CC[C@@H](NC(=O)c1cccc2[n-]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000182795108 474257105 /nfs/dbraw/zinc/25/71/05/474257105.db2.gz HIMOVXKPQWXZNT-CYBMUJFWSA-N -1 3 325.328 2.747 10 5 EFBEHM CC[C@@H](NC(=O)c1cccc2n[n-]nc21)c1cccc([N+](=O)[O-])c1 ZINC000182795108 474257110 /nfs/dbraw/zinc/25/71/10/474257110.db2.gz HIMOVXKPQWXZNT-CYBMUJFWSA-N -1 3 325.328 2.747 10 5 EFBEHM CN1CCC(CC(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000291644524 474639187 /nfs/dbraw/zinc/63/91/87/474639187.db2.gz JDLCRNWUXNJHFI-UHFFFAOYSA-N -1 3 327.768 2.624 10 5 EFBEHM CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccn1 ZINC000609197223 480124610 /nfs/dbraw/zinc/12/46/10/480124610.db2.gz LJROEPLGLYWSJO-NSHDSACASA-N -1 3 341.414 2.871 10 5 EFBEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000310965259 474832292 /nfs/dbraw/zinc/83/22/92/474832292.db2.gz CFASTSDFDKIOOP-ZDUSSCGKSA-N -1 3 343.383 2.551 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000339059447 474890960 /nfs/dbraw/zinc/89/09/60/474890960.db2.gz KOZKQFUHSAIURL-GFCCVEGCSA-N -1 3 343.387 2.676 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000339059447 474890966 /nfs/dbraw/zinc/89/09/66/474890966.db2.gz KOZKQFUHSAIURL-GFCCVEGCSA-N -1 3 343.387 2.676 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000339059447 474890972 /nfs/dbraw/zinc/89/09/72/474890972.db2.gz KOZKQFUHSAIURL-GFCCVEGCSA-N -1 3 343.387 2.676 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCCC1(C)C ZINC000339110140 474938332 /nfs/dbraw/zinc/93/83/32/474938332.db2.gz QVBWVDWEIHBTKT-LLVKDONJSA-N -1 3 342.417 2.708 10 5 EFBEHM COc1cc2nc(C)sc2cc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357909025 475253068 /nfs/dbraw/zinc/25/30/68/475253068.db2.gz KPAXSPXSJXOOFS-UHFFFAOYSA-N -1 3 347.356 2.507 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C)C(F)(F)F ZINC000345616374 475308606 /nfs/dbraw/zinc/30/86/06/475308606.db2.gz XAHZNADIKLGSQA-JTQLQIEISA-N -1 3 326.296 2.522 10 5 EFBEHM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1[O-] ZINC000352511814 475366124 /nfs/dbraw/zinc/36/61/24/475366124.db2.gz ZTGWHEVMLGEMJL-ZDUSSCGKSA-N -1 3 329.356 2.581 10 5 EFBEHM CCCn1c(=O)[n-]nc1SCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000361549047 475539124 /nfs/dbraw/zinc/53/91/24/475539124.db2.gz IRUFIDNCGUMCCC-UHFFFAOYSA-N -1 3 342.352 2.742 10 5 EFBEHM COc1nnccc1[N-]C(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000346517611 475626848 /nfs/dbraw/zinc/62/68/48/475626848.db2.gz XESPQHJNKIQILF-UHFFFAOYSA-N -1 3 342.233 2.665 10 5 EFBEHM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000358511695 475737522 /nfs/dbraw/zinc/73/75/22/475737522.db2.gz ULXLDAYDKKFGGW-SECBINFHSA-N -1 3 342.398 2.704 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000340095671 475755691 /nfs/dbraw/zinc/75/56/91/475755691.db2.gz PNIGJDMYRVGYES-HNNXBMFYSA-N -1 3 347.396 2.728 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3ccccc3)cn2)n1 ZINC000362056065 475965217 /nfs/dbraw/zinc/96/52/17/475965217.db2.gz NWKSLLUYKUAIDK-UHFFFAOYSA-N -1 3 338.327 2.521 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2scnc2-c2ccccc2)n1 ZINC000355504917 475993163 /nfs/dbraw/zinc/99/31/63/475993163.db2.gz ZWBWFYZAGOKRQE-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM CCOC(=O)C(C)(C)n1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cn1 ZINC000359090709 476179106 /nfs/dbraw/zinc/17/91/06/476179106.db2.gz DKPWBXAZGQQDAO-UHFFFAOYSA-N -1 3 347.375 2.845 10 5 EFBEHM CCO[C@@H]1C[C@](NCc2ccc([N+](=O)[O-])cc2C)(C(=O)[O-])C1(C)C ZINC000340672113 476195895 /nfs/dbraw/zinc/19/58/95/476195895.db2.gz BQQIGPDMPDYAIK-PBHICJAKSA-N -1 3 336.388 2.651 10 5 EFBEHM Cc1ncoc1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000347268006 476216989 /nfs/dbraw/zinc/21/69/89/476216989.db2.gz AQPDZPJUGMVKOA-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM Cc1nnsc1C(=O)[N-]c1cc(Br)cc([N+](=O)[O-])c1 ZINC000347294400 476237126 /nfs/dbraw/zinc/23/71/26/476237126.db2.gz SJBIVCVZCIMGIN-UHFFFAOYSA-N -1 3 343.162 2.770 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cccc3Cl)s2)n1 ZINC000362740268 476380095 /nfs/dbraw/zinc/38/00/95/476380095.db2.gz HXIJBUNWXLEYPH-UHFFFAOYSA-N -1 3 337.748 2.844 10 5 EFBEHM CCOc1ccc(C(=O)Nc2cc([O-])cc(OC)c2)cc1[N+](=O)[O-] ZINC000357541314 476442114 /nfs/dbraw/zinc/44/21/14/476442114.db2.gz LPXFUOZDAAJMPJ-UHFFFAOYSA-N -1 3 332.312 2.960 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2cc3c(cc2[O-])CCCC3)n1 ZINC000445582745 476751721 /nfs/dbraw/zinc/75/17/21/476751721.db2.gz JWYDNSDVDOTWGI-UHFFFAOYSA-N -1 3 341.327 2.630 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C(C)(C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000431592973 477057952 /nfs/dbraw/zinc/05/79/52/477057952.db2.gz UTNNDWOVFQEPAM-UHFFFAOYSA-N -1 3 330.406 2.706 10 5 EFBEHM COC(=O)c1cccc(F)c1[N-]C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000436007616 477405529 /nfs/dbraw/zinc/40/55/29/477405529.db2.gz OFISJGMRXLWQSI-UHFFFAOYSA-N -1 3 348.286 2.781 10 5 EFBEHM O=c1[nH]c(CCNc2ccccc2[N+](=O)[O-])nc2ccc([O-])cc21 ZINC000436901867 477630567 /nfs/dbraw/zinc/63/05/67/477630567.db2.gz COJRYGHMOIWYNF-UHFFFAOYSA-N -1 3 326.312 2.604 10 5 EFBEHM CC[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)CC(=O)[O-] ZINC000426657102 477734595 /nfs/dbraw/zinc/73/45/95/477734595.db2.gz LNKZKAUHJYFPQP-VIFPVBQESA-N -1 3 332.303 2.787 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c([N+](=O)[O-])c1 ZINC000451082027 477814893 /nfs/dbraw/zinc/81/48/93/477814893.db2.gz FQPYGHMVUNGYMX-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM CCc1onc(C)c1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000489762420 478269059 /nfs/dbraw/zinc/26/90/59/478269059.db2.gz NHBPPBFYTRBWOT-UHFFFAOYSA-N -1 3 347.327 2.801 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594480268 478405050 /nfs/dbraw/zinc/40/50/50/478405050.db2.gz OZCNGXAHVBCPFD-MGCOHNPYSA-N -1 3 348.446 2.589 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCCCO1 ZINC000594487165 478406798 /nfs/dbraw/zinc/40/67/98/478406798.db2.gz LECLAMMZMQAOEV-CMPLNLGQSA-N -1 3 348.446 2.591 10 5 EFBEHM COc1cc(CNC[C@H]2CCC3(CCCC3)O2)c([N+](=O)[O-])cc1[O-] ZINC000594520794 478425574 /nfs/dbraw/zinc/42/55/74/478425574.db2.gz BUKUBDBCFBDFDB-CYBMUJFWSA-N -1 3 336.388 2.890 10 5 EFBEHM CN1CC[C@@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570970589 478491633 /nfs/dbraw/zinc/49/16/33/478491633.db2.gz XJVMNYBHKUIBFT-ZIAGYGMSSA-N -1 3 342.355 2.545 10 5 EFBEHM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594853500 478561447 /nfs/dbraw/zinc/56/14/47/478561447.db2.gz YTPWTIANKPWSDT-SNVBAGLBSA-N -1 3 340.735 2.572 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594857664 478563196 /nfs/dbraw/zinc/56/31/96/478563196.db2.gz NMPKVIMMZZEJKN-CYBMUJFWSA-N -1 3 348.371 2.925 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](C)CC(F)F)cc1C ZINC000592067805 478762731 /nfs/dbraw/zinc/76/27/31/478762731.db2.gz RVYSYJRTUFDCMY-MRVPVSSYSA-N -1 3 336.360 2.781 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592086164 478768452 /nfs/dbraw/zinc/76/84/52/478768452.db2.gz OZCNGXAHVBCPFD-AOOOYVTPSA-N -1 3 348.446 2.589 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2cccs2)c([N+](=O)[O-])s1 ZINC000601305548 478776919 /nfs/dbraw/zinc/77/69/19/478776919.db2.gz ZQLHZZHDULAFHT-QMMMGPOBSA-N -1 3 346.455 2.936 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000601312256 478781736 /nfs/dbraw/zinc/78/17/36/478781736.db2.gz FSQWYRVIEZJQAV-NSHDSACASA-N -1 3 338.410 2.583 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])s1 ZINC000601391043 478816304 /nfs/dbraw/zinc/81/63/04/478816304.db2.gz MLOFPEKCDHIQFH-JTQLQIEISA-N -1 3 348.446 2.589 10 5 EFBEHM Cc1scc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1C ZINC000601497977 478852995 /nfs/dbraw/zinc/85/29/95/478852995.db2.gz KMVBIQDNCLNHMC-UHFFFAOYSA-N -1 3 332.428 2.813 10 5 EFBEHM O=C([O-])[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000583630767 478902361 /nfs/dbraw/zinc/90/23/61/478902361.db2.gz SDOSIVWICWAGMF-JKSUJKDBSA-N -1 3 326.352 2.895 10 5 EFBEHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@H]1CCCO1 ZINC000598683088 478968091 /nfs/dbraw/zinc/96/80/91/478968091.db2.gz VSZZFGKCPAAGPH-XHDPSFHLSA-N -1 3 344.371 2.551 10 5 EFBEHM Cc1c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)n[nH]c1C(C)C ZINC000592951138 479107445 /nfs/dbraw/zinc/10/74/45/479107445.db2.gz ZNZPCULSJKSNLL-UHFFFAOYSA-N -1 3 328.332 2.878 10 5 EFBEHM O=c1[n-]ccc(N2CCO[C@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000596083810 479129579 /nfs/dbraw/zinc/12/95/79/479129579.db2.gz UNLXQODFBPLUOB-ZDUSSCGKSA-N -1 3 335.747 2.927 10 5 EFBEHM C[C@@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000596140335 479160109 /nfs/dbraw/zinc/16/01/09/479160109.db2.gz GQJHKRMKNMERJM-YGRLFVJLSA-N -1 3 333.319 2.801 10 5 EFBEHM C[C@@H](c1cccc(F)c1)N1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596178320 479182729 /nfs/dbraw/zinc/18/27/29/479182729.db2.gz IIZGIRYTPCZNEU-LBPRGKRZSA-N -1 3 346.362 2.718 10 5 EFBEHM O=c1[n-]ccc(NCc2nc3ccccc3n2C2CC2)c1[N+](=O)[O-] ZINC000596192014 479190581 /nfs/dbraw/zinc/19/05/81/479190581.db2.gz KQEOIVCGJGXBIC-UHFFFAOYSA-N -1 3 325.328 2.992 10 5 EFBEHM C[C@H](Nc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000596202360 479195870 /nfs/dbraw/zinc/19/58/70/479195870.db2.gz UEYQNYSHKQQWDC-VIFPVBQESA-N -1 3 348.325 2.770 10 5 EFBEHM O=c1[n-]ccc(N2CCC[C@H](c3ncc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000596225955 479209512 /nfs/dbraw/zinc/20/95/12/479209512.db2.gz HMQYMMRQNDFCRT-LBPRGKRZSA-N -1 3 343.387 2.612 10 5 EFBEHM CNc1nccc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1[N+](=O)[O-] ZINC000569987347 479222435 /nfs/dbraw/zinc/22/24/35/479222435.db2.gz XKMSVVHKGNXKHB-UHFFFAOYSA-N -1 3 344.371 2.709 10 5 EFBEHM CC(C)Oc1cc(C(=O)[N-]c2ncn(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000593232866 479252801 /nfs/dbraw/zinc/25/28/01/479252801.db2.gz RIWHRSXZNJOZEY-UHFFFAOYSA-N -1 3 333.348 2.807 10 5 EFBEHM CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000599395654 479282823 /nfs/dbraw/zinc/28/28/23/479282823.db2.gz HASCDABBEFCUFA-AWEZNQCLSA-N -1 3 349.412 2.680 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000599446876 479300245 /nfs/dbraw/zinc/30/02/45/479300245.db2.gz ZYRJJIIYUZRGQE-GFCCVEGCSA-N -1 3 340.401 2.628 10 5 EFBEHM COc1cccc([C@]2(C)CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596481863 479312615 /nfs/dbraw/zinc/31/26/15/479312615.db2.gz IBVCFIVALICMOM-QGZVFWFLSA-N -1 3 329.356 2.872 10 5 EFBEHM CC(C)(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593538193 479381051 /nfs/dbraw/zinc/38/10/51/479381051.db2.gz QYAJYMHSYAQJAV-UHFFFAOYSA-N -1 3 349.412 2.636 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC000588144668 479398480 /nfs/dbraw/zinc/39/84/80/479398480.db2.gz RBLRQABVCKBQSD-LLVKDONJSA-N -1 3 334.344 2.678 10 5 EFBEHM Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593607339 479400916 /nfs/dbraw/zinc/40/09/16/479400916.db2.gz DRRPSVWNDLGROT-UHFFFAOYSA-N -1 3 349.412 2.598 10 5 EFBEHM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000614771464 479506471 /nfs/dbraw/zinc/50/64/71/479506471.db2.gz KUHRHLIFKVNZPO-AWEZNQCLSA-N -1 3 342.399 2.823 10 5 EFBEHM CCC(C)(C)N1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000593946341 479515958 /nfs/dbraw/zinc/51/59/58/479515958.db2.gz DYHUUHCHFQZQJJ-UHFFFAOYSA-N -1 3 335.404 2.912 10 5 EFBEHM COc1cc(CNc2ccc3[nH]c(=O)n(C)c3c2)c([N+](=O)[O-])cc1[O-] ZINC000619674929 479854573 /nfs/dbraw/zinc/85/45/73/479854573.db2.gz HQFOLTNLJZNQCQ-UHFFFAOYSA-N -1 3 344.327 2.513 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc3nccn3c2)cc1C ZINC000610032205 480231892 /nfs/dbraw/zinc/23/18/92/480231892.db2.gz GFBXGODUDFYOKT-UHFFFAOYSA-N -1 3 346.368 2.660 10 5 EFBEHM CCc1cc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC000610075391 480234507 /nfs/dbraw/zinc/23/45/07/480234507.db2.gz KMVCJTKJRSRFLW-UHFFFAOYSA-N -1 3 344.352 2.943 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1c(C)noc1C ZINC000119372034 522682770 /nfs/dbraw/zinc/68/27/70/522682770.db2.gz LUKYHYYJSGDMHT-VIFPVBQESA-N -1 3 345.402 2.691 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c(F)c1 ZINC000255112718 527375065 /nfs/dbraw/zinc/37/50/65/527375065.db2.gz FSVBQLGOEOMCGE-DAXSKMNVSA-N -1 3 336.344 2.726 10 5 EFBEHM CC[C@@H](NCC(=O)[N-]OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181565158 529154648 /nfs/dbraw/zinc/15/46/48/529154648.db2.gz SSOAEBXGUHVAPE-QGZVFWFLSA-N -1 3 343.383 2.884 10 5 EFBEHM COc1cc2c(c3oc4cccc(=O)c-4c([O-])c13)[C@@H]1CCO[C@@H]1O2 ZINC000013533347 571703508 /nfs/dbraw/zinc/70/35/08/571703508.db2.gz RHGQIWVTIHZRLI-DCXZOGHSSA-N -1 3 326.304 2.883 10 5 endogenous,in-man EFBEHM COc1cc2c(c3oc4cccc([O-])c4c(=O)c13)[C@@H]1CCO[C@@H]1O2 ZINC000013533347 571703512 /nfs/dbraw/zinc/70/35/12/571703512.db2.gz RHGQIWVTIHZRLI-DCXZOGHSSA-N -1 3 326.304 2.883 10 5 endogenous,in-man EFBEHM O=C([N-]c1nc2ccccc2c(=O)[nH]1)c1cc(F)c([N+](=O)[O-])cc1F ZINC000763441237 576377626 /nfs/dbraw/zinc/37/76/26/576377626.db2.gz ABCHTOSZXWCCOT-UHFFFAOYSA-N -1 3 346.249 2.774 10 5 EFBEHM COc1cc(CN[C@@H]2C[C@H](O)c3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000850371457 1250451994 /nfs/dbraw/zinc/45/19/94/1250451994.db2.gz JVNZALLKDDDPES-HIFRSBDPSA-N -1 3 330.340 2.577 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCS[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000921716584 1261265648 /nfs/dbraw/zinc/26/56/48/1261265648.db2.gz XVLBNDWKLJOBBL-VXNVDRBHSA-N -1 3 336.460 2.527 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1Cl ZINC001133906951 1286089694 /nfs/dbraw/zinc/08/96/94/1286089694.db2.gz IKETVWLCPYQZCU-UHFFFAOYSA-N -1 3 349.656 2.946 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1Cl ZINC001133906951 1286089695 /nfs/dbraw/zinc/08/96/95/1286089695.db2.gz IKETVWLCPYQZCU-UHFFFAOYSA-N -1 3 349.656 2.946 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc([C@@H]2CCCO2)s1 ZINC001174755000 1287170843 /nfs/dbraw/zinc/17/08/43/1287170843.db2.gz RNMVGJWCXBLZDJ-JTQLQIEISA-N -1 3 334.357 2.859 10 5 EFBEHM CCc1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c([O-])c1 ZINC001135881197 1288543816 /nfs/dbraw/zinc/54/38/16/1288543816.db2.gz LCVFZOOUDDOGCT-UHFFFAOYSA-N -1 3 329.356 2.705 10 5 EFBEHM CC(C)c1oncc1[N-]C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001177843599 1288568181 /nfs/dbraw/zinc/56/81/81/1288568181.db2.gz IEABTJVPHLCYKL-UHFFFAOYSA-N -1 3 342.315 2.539 10 5 EFBEHM Cc1cccc(C2(O)CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)c1C ZINC000853381766 1300099443 /nfs/dbraw/zinc/09/94/43/1300099443.db2.gz KXYBKVAXWXRIQH-UHFFFAOYSA-N -1 3 343.383 2.800 10 5 EFBEHM C[C@](NC[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901933355 1311210733 /nfs/dbraw/zinc/21/07/33/1311210733.db2.gz ABJWUNSRWJNONI-BXKDBHETSA-N -1 3 333.171 2.678 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC001164131196 1312453860 /nfs/dbraw/zinc/45/38/60/1312453860.db2.gz KLGQDDOBZGQACC-LLVKDONJSA-N -1 3 347.350 2.619 10 5 EFBEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106129 1321800187 /nfs/dbraw/zinc/80/01/87/1321800187.db2.gz GKTZBQZUILCWRF-NEPJUHHUSA-N -1 3 339.311 2.715 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001290405836 1321910633 /nfs/dbraw/zinc/91/06/33/1321910633.db2.gz YIINWFCWANXAQJ-UHFFFAOYSA-N -1 3 338.327 2.644 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001290405836 1321910638 /nfs/dbraw/zinc/91/06/38/1321910638.db2.gz YIINWFCWANXAQJ-UHFFFAOYSA-N -1 3 338.327 2.644 10 5 EFBEHM O=C(NCc1ccc([O-])c(F)c1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001294866404 1322586045 /nfs/dbraw/zinc/58/60/45/1322586045.db2.gz BMNHWQGLDNKWRT-UONOGXRCSA-N -1 3 330.315 2.859 10 5 EFBEHM COc1cccc([O-])c1C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001297645582 1323307794 /nfs/dbraw/zinc/30/77/94/1323307794.db2.gz KEAVAZZDWZGFJQ-UHFFFAOYSA-N -1 3 330.340 2.624 10 5 EFBEHM CC(C)(C)OC(=O)Nc1cccc(OC(=O)c2cc([N+](=O)[O-])n[n-]2)c1 ZINC001454977548 1394492805 /nfs/dbraw/zinc/49/28/05/1394492805.db2.gz DAKPMGCCHQVPFY-UHFFFAOYSA-N -1 3 348.315 2.884 10 5 EFBEHM O=[N+]([O-])c1ccc(SCCc2nnn[n-]2)nc1-c1ccccc1 ZINC001458447314 1395471385 /nfs/dbraw/zinc/47/13/85/1395471385.db2.gz ICPNOUHDTOYMTM-UHFFFAOYSA-N -1 3 328.357 2.505 10 5 EFBEHM O=[N+]([O-])c1ccc(SCCc2nn[n-]n2)nc1-c1ccccc1 ZINC001458447314 1395471394 /nfs/dbraw/zinc/47/13/94/1395471394.db2.gz ICPNOUHDTOYMTM-UHFFFAOYSA-N -1 3 328.357 2.505 10 5 EFBEHM COc1c(C(=O)Nc2cccc(C(C)=O)c2[O-])cccc1[N+](=O)[O-] ZINC001468602421 1396971119 /nfs/dbraw/zinc/97/11/19/1396971119.db2.gz YJZFCCNGSHEUSN-UHFFFAOYSA-N -1 3 330.296 2.764 10 5 EFBEHM Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)ccc1[N+](=O)[O-] ZINC001472109211 1397249423 /nfs/dbraw/zinc/24/94/23/1397249423.db2.gz JNPHBYNYCPLLQY-SSDOTTSWSA-N -1 3 343.265 2.531 10 5 EFBEHM CCOc1nnc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[n-]1 ZINC001558011130 1415155221 /nfs/dbraw/zinc/15/52/21/1415155221.db2.gz DHGHGWIZQWEXEQ-UHFFFAOYSA-N -1 3 333.348 2.661 10 5 EFBEHM CCOc1nc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n[n-]1 ZINC001558011130 1415155224 /nfs/dbraw/zinc/15/52/24/1415155224.db2.gz DHGHGWIZQWEXEQ-UHFFFAOYSA-N -1 3 333.348 2.661 10 5 EFBEHM CCOc1n[n-]c(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)n1 ZINC001558011130 1415155225 /nfs/dbraw/zinc/15/52/25/1415155225.db2.gz DHGHGWIZQWEXEQ-UHFFFAOYSA-N -1 3 333.348 2.661 10 5 EFBEHM CC(=O)c1c(C)cc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC001558149057 1415162517 /nfs/dbraw/zinc/16/25/17/1415162517.db2.gz VMKGVJBOVFGTRI-UHFFFAOYSA-N -1 3 329.312 2.767 10 5 EFBEHM Cc1cc(=O)[nH]c2ccc(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc12 ZINC001645945880 1416590020 /nfs/dbraw/zinc/59/00/20/1416590020.db2.gz ALCRLHDVUAIMAY-UHFFFAOYSA-N -1 3 340.295 2.510 10 5 EFBEHM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000158088622 728297959 /nfs/dbraw/zinc/29/79/59/728297959.db2.gz QORXBRCRJGJQMB-UHFFFAOYSA-N -1 3 349.206 2.578 10 5 EFBEHM O=C([N-]c1ccncc1F)c1c(Br)cccc1[N+](=O)[O-] ZINC001584008810 1092096167 /nfs/dbraw/zinc/09/61/67/1092096167.db2.gz AXOHNEZPZRJKBW-UHFFFAOYSA-N -1 3 340.108 2.566 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2nc(C3CC3)cs2)cc([N+](=O)[O-])c1 ZINC001586795102 1092759160 /nfs/dbraw/zinc/75/91/60/1092759160.db2.gz FOZYVNFUJAJVLW-UHFFFAOYSA-N -1 3 347.352 2.968 10 5 EFBEHM O=c1[n-]ccc(NC[C@H](O)c2c(F)cccc2Cl)c1[N+](=O)[O-] ZINC001650784447 1093494534 /nfs/dbraw/zinc/49/45/34/1093494534.db2.gz LGEWHDSGJIOYSB-JTQLQIEISA-N -1 3 327.699 2.633 10 5 EFBEHM Cn1nc(C(F)(F)F)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1Cl ZINC001597006400 1094560010 /nfs/dbraw/zinc/56/00/10/1094560010.db2.gz IHWFBLIIBDCNOY-UHFFFAOYSA-N -1 3 338.629 2.846 10 5 EFBEHM O=C([N-]c1ccnc(Cl)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001597025955 1094561167 /nfs/dbraw/zinc/56/11/67/1094561167.db2.gz OYRYLAJLSPRLCB-UHFFFAOYSA-N -1 3 340.654 2.943 10 5 EFBEHM CCC(CC)c1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001597170037 1094568459 /nfs/dbraw/zinc/56/84/59/1094568459.db2.gz CENHNGFRVCBOSJ-UHFFFAOYSA-N -1 3 344.784 2.979 10 5 EFBEHM Cc1noc(C(C)C)c1[N-]C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001598349597 1094671654 /nfs/dbraw/zinc/67/16/54/1094671654.db2.gz OTXYPXLVPULABI-UHFFFAOYSA-N -1 3 333.300 2.996 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cccc(OC)c3s2)n1 ZINC001611276709 1098996113 /nfs/dbraw/zinc/99/61/13/1098996113.db2.gz QPCIJERFQJDVJN-UHFFFAOYSA-N -1 3 347.356 2.682 10 5 EFBEHM O=c1[n-]ccc(NC[C@H](O)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001611940089 1099038173 /nfs/dbraw/zinc/03/81/73/1099038173.db2.gz YGOLJJCFOIKING-HNNXBMFYSA-N -1 3 325.324 2.994 10 5 EFBEHM CN(C)c1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])c2ccccc2n1 ZINC001612027398 1099042081 /nfs/dbraw/zinc/04/20/81/1099042081.db2.gz BZOHHEWMDVKECJ-UHFFFAOYSA-N -1 3 339.355 2.922 10 5 EFBEHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001623694171 1099616520 /nfs/dbraw/zinc/61/65/20/1099616520.db2.gz UGXJIONHUQPEAI-UHFFFAOYSA-N -1 3 330.344 2.631 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001624739753 1099724716 /nfs/dbraw/zinc/72/47/16/1099724716.db2.gz DLQXLADRTYBSLL-KGLIPLIRSA-N -1 3 338.323 2.919 10 5 EFBEHM CCCCCc1nnc([N-]C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)s1 ZINC001630850745 1100346138 /nfs/dbraw/zinc/34/61/38/1100346138.db2.gz LEDGIZCSPPYKNZ-UHFFFAOYSA-N -1 3 344.784 2.808 10 5 EFBEHM Cc1cccc(OC(F)F)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001632218153 1100460894 /nfs/dbraw/zinc/46/08/94/1100460894.db2.gz ZPGLRZKCRSQPTB-UHFFFAOYSA-N -1 3 339.254 2.858 10 5 EFBEHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]Oc1ccc(F)cc1 ZINC001640097290 1101013365 /nfs/dbraw/zinc/01/33/65/1101013365.db2.gz BHNZAYJHBYRDMR-UHFFFAOYSA-N -1 3 332.287 2.807 10 5 EFBEHM CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001641968648 1101179980 /nfs/dbraw/zinc/17/99/80/1101179980.db2.gz KWKCMQOCAMFELK-UHFFFAOYSA-N -1 3 345.290 2.656 10 5 EFBEHM O=c1cc([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[n-][nH]1 ZINC001652004056 1101416825 /nfs/dbraw/zinc/41/68/25/1101416825.db2.gz FEISGPHMJNTXFE-JTQLQIEISA-N -1 3 325.328 2.566 10 5 EFBEHM Cc1ccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1[N+](=O)[O-] ZINC001655494721 1101836089 /nfs/dbraw/zinc/83/60/89/1101836089.db2.gz FPSJCVNTUTYBTP-UHFFFAOYSA-N -1 3 326.356 2.792 10 5 EFBEHM O=c1[n-]ccc(NC[C@H](O)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001655537027 1101841183 /nfs/dbraw/zinc/84/11/83/1101841183.db2.gz FMPLBFVMDCZMJG-NSHDSACASA-N -1 3 343.261 2.860 10 5 EFBEHM C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001655615161 1101859957 /nfs/dbraw/zinc/85/99/57/1101859957.db2.gz YFFXJEASCAOLDV-GHMZBOCLSA-N -1 3 330.344 2.771 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1nc(-c2ccccc2)cs1 ZINC001272505217 1108572216 /nfs/dbraw/zinc/57/22/16/1108572216.db2.gz BAAKNJMLYFGJGC-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM CN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000339177114 283059329 /nfs/dbraw/zinc/05/93/29/283059329.db2.gz ZXBVGJGFVMPIIP-AEFFLSMTSA-N -1 3 327.384 2.835 10 5 EFBEHM CCC[C@@H](NCc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000037516557 213153399 /nfs/dbraw/zinc/15/33/99/213153399.db2.gz CVORVWRJAJKARV-LLVKDONJSA-N -1 3 331.166 2.700 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-]CCC2=CCCC2)cc1[N+](=O)[O-] ZINC000187554864 236245173 /nfs/dbraw/zinc/24/51/73/236245173.db2.gz UWDFSEXHFLFILH-UHFFFAOYSA-N -1 3 344.364 2.521 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(-c3ccc(C)o3)c2C)n1 ZINC000191960257 240015255 /nfs/dbraw/zinc/01/52/55/240015255.db2.gz AXYBIFPCORYSSA-UHFFFAOYSA-N -1 3 344.331 2.663 10 5 EFBEHM COc1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000434755688 248186029 /nfs/dbraw/zinc/18/60/29/248186029.db2.gz LFOFHJHVVVENJW-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1 ZINC000007703403 206524611 /nfs/dbraw/zinc/52/46/11/206524611.db2.gz GUEZZLHANFCQQL-QMMMGPOBSA-N -1 3 330.749 2.881 10 5 EFBEHM Cn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])ccc1[N+](=O)[O-] ZINC000443565546 250208666 /nfs/dbraw/zinc/20/86/66/250208666.db2.gz HNMHYFWQVQBBOQ-UHFFFAOYSA-N -1 3 345.233 2.790 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)[C@@H]1C[C@H]1C(F)(F)F ZINC000449837981 251172089 /nfs/dbraw/zinc/17/20/89/251172089.db2.gz ZXTRAMZFJBYGNX-NXEZZACHSA-N -1 3 340.261 2.544 10 5 EFBEHM O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)[N-]C(=Nc1ccccc1)S2 ZINC000006616098 285144031 /nfs/dbraw/zinc/14/40/31/285144031.db2.gz NNJCMCYMBUPDCO-UHFFFAOYSA-N -1 3 335.366 2.857 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C)C(F)(F)F ZINC000468796929 256018114 /nfs/dbraw/zinc/01/81/14/256018114.db2.gz CDDCDQCIUJLWDT-NSHDSACASA-N -1 3 340.323 2.831 10 5 EFBEHM C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000346251635 142176644 /nfs/dbraw/zinc/17/66/44/142176644.db2.gz KMSVJXLSKMMJKH-LBPRGKRZSA-N -1 3 335.404 2.541 10 5 EFBEHM Cc1nc([N-]C(=O)c2ncsc2Br)ccc1[N+](=O)[O-] ZINC000342479236 145135110 /nfs/dbraw/zinc/13/51/10/145135110.db2.gz LUVGMXAFAFTYAM-UHFFFAOYSA-N -1 3 343.162 2.770 10 5 EFBEHM Cn1cc(-c2ncc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3F)s2)cn1 ZINC000351556024 146145014 /nfs/dbraw/zinc/14/50/14/146145014.db2.gz YLWHEUGFTVROHD-UHFFFAOYSA-N -1 3 347.331 2.843 10 5 EFBEHM CC(C)c1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000352991497 146368874 /nfs/dbraw/zinc/36/88/74/146368874.db2.gz OMKCTGRJRWPIOZ-OAHLLOKOSA-N -1 3 344.371 2.967 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3ccccn3)s2)n1 ZINC000359408333 148077818 /nfs/dbraw/zinc/07/78/18/148077818.db2.gz DPRMPYSSLUDUQY-UHFFFAOYSA-N -1 3 344.356 2.582 10 5 EFBEHM CC[C@@H](C)N[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000359556261 148121406 /nfs/dbraw/zinc/12/14/06/148121406.db2.gz LVCNWRHBYMNWFZ-BXUZGUMPSA-N -1 3 347.371 2.753 10 5 EFBEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000269487687 273081620 /nfs/dbraw/zinc/08/16/20/273081620.db2.gz RADKXKFAFXOFMU-YUMQZZPRSA-N -1 3 338.307 2.548 10 5 EFBEHM Cc1ccc([C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])N(C)C)cc1 ZINC000280776003 273365588 /nfs/dbraw/zinc/36/55/88/273365588.db2.gz MYLSFERNNPBDCW-HNNXBMFYSA-N -1 3 343.383 2.642 10 5 EFBEHM C[C@H]1CCCN(C(C)(C)CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280787500 273366768 /nfs/dbraw/zinc/36/67/68/273366768.db2.gz NYIHCMXFAWYQTF-LBPRGKRZSA-N -1 3 335.404 2.541 10 5 EFBEHM COc1ccc(-c2nn3c([n-]c2=O)c2ccccc2nc3=S)cc1 ZINC000032937938 277397771 /nfs/dbraw/zinc/39/77/71/277397771.db2.gz HCDVKDWOGLYTKB-UHFFFAOYSA-N -1 3 336.376 2.602 10 5 EFBEHM CCc1noc(C)c1C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000294042678 295102168 /nfs/dbraw/zinc/10/21/68/295102168.db2.gz OZGXENMPPOLAKS-UHFFFAOYSA-N -1 3 339.298 2.862 10 5 EFBEHM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC)C(F)(F)F ZINC000469187442 313119817 /nfs/dbraw/zinc/11/98/17/313119817.db2.gz RPALKOSVBZVYFH-NSHDSACASA-N -1 3 340.323 2.776 10 5 EFBEHM CCC1(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000472351055 313188429 /nfs/dbraw/zinc/18/84/29/313188429.db2.gz VFNZLSJKUSBMHD-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM O=C([N-]c1csc(-c2ccncc2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000520846060 315985664 /nfs/dbraw/zinc/98/56/64/315985664.db2.gz FJPJIZWNBXNIOG-UHFFFAOYSA-N -1 3 327.325 2.761 10 5 EFBEHM CCOC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(F)cc1C ZINC000556477877 318391428 /nfs/dbraw/zinc/39/14/28/318391428.db2.gz XGZPCBXSTZPFRE-UHFFFAOYSA-N -1 3 347.302 2.866 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CCC(C)(F)F)c1 ZINC000296957383 323699916 /nfs/dbraw/zinc/69/99/16/323699916.db2.gz HMXZDDXJAMPVAM-UHFFFAOYSA-N -1 3 342.751 2.880 10 5 EFBEHM CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000111363001 473210070 /nfs/dbraw/zinc/21/00/70/473210070.db2.gz DZGMFEQNGZELRE-ZETCQYMHSA-N -1 3 347.443 2.715 10 5 EFBEHM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000111368188 473211059 /nfs/dbraw/zinc/21/10/59/473211059.db2.gz KQWUKKIJWJCSJC-BDJLRTHQSA-N -1 3 332.381 2.807 10 5 EFBEHM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1[N-]c1cc2n(n1)CCCC2 ZINC000601163657 468766427 /nfs/dbraw/zinc/76/64/27/468766427.db2.gz NZJFAHRWPNTACR-UHFFFAOYSA-N -1 3 330.270 2.624 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000592108150 478780548 /nfs/dbraw/zinc/78/05/48/478780548.db2.gz MBQZSEPHEFYZIC-OPRDCNLKSA-N -1 3 330.793 2.715 10 5 EFBEHM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592108926 478780893 /nfs/dbraw/zinc/78/08/93/478780893.db2.gz UXMDKLUKVYVUNX-FXPVBKGRSA-N -1 3 330.793 2.715 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000067950922 472114210 /nfs/dbraw/zinc/11/42/10/472114210.db2.gz VSFGTXAFTTZWFI-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000055972153 472266212 /nfs/dbraw/zinc/26/62/12/472266212.db2.gz MOWHAWAQXAXXIQ-MRVPVSSYSA-N -1 3 330.362 2.835 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000030493978 472334090 /nfs/dbraw/zinc/33/40/90/472334090.db2.gz AWXDDZYKSOLGCV-LLVKDONJSA-N -1 3 330.406 2.706 10 5 EFBEHM COc1ccc(F)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000088304392 472354905 /nfs/dbraw/zinc/35/49/05/472354905.db2.gz XUSFIIGERFBJHK-UHFFFAOYSA-N -1 3 330.275 2.871 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000057011535 472373656 /nfs/dbraw/zinc/37/36/56/472373656.db2.gz QEYJFWGUGNTIME-NWDGAFQWSA-N -1 3 342.417 2.708 10 5 EFBEHM CSCCCC[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000128844689 472503674 /nfs/dbraw/zinc/50/36/74/472503674.db2.gz FHZSUTIULADLRK-UHFFFAOYSA-N -1 3 332.447 2.633 10 5 EFBEHM O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000121074102 472794164 /nfs/dbraw/zinc/79/41/64/472794164.db2.gz WRUALLUFLBDXDF-UHFFFAOYSA-N -1 3 344.718 2.681 10 5 EFBEHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000121074102 472794169 /nfs/dbraw/zinc/79/41/69/472794169.db2.gz WRUALLUFLBDXDF-UHFFFAOYSA-N -1 3 344.718 2.681 10 5 EFBEHM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1n[n-]c(-c2ccoc2)n1 ZINC000079069858 472814425 /nfs/dbraw/zinc/81/44/25/472814425.db2.gz DJSGEWRJIDIRNT-UHFFFAOYSA-N -1 3 327.300 2.544 10 5 EFBEHM O=C(Nc1nc(-c2ccsc2)ns1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000109695552 473113656 /nfs/dbraw/zinc/11/36/56/473113656.db2.gz BDLSNONPGURQAB-UHFFFAOYSA-N -1 3 349.353 2.528 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(F)c1 ZINC000171837045 473468051 /nfs/dbraw/zinc/46/80/51/473468051.db2.gz FSVBQLGOEOMCGE-QPJJXVBHSA-N -1 3 336.344 2.726 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000172020151 473503190 /nfs/dbraw/zinc/50/31/90/473503190.db2.gz GZSNTRNJKNYISA-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM CCc1[nH]nc(C(=O)[N-]c2nc(-c3ccccn3)cs2)c1[N+](=O)[O-] ZINC000172156157 473536708 /nfs/dbraw/zinc/53/67/08/473536708.db2.gz RKBLFXDTRXFPHV-UHFFFAOYSA-N -1 3 344.356 2.651 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCc2ccccn2)c1C ZINC000178912385 473590580 /nfs/dbraw/zinc/59/05/80/473590580.db2.gz OEEQWDOGBVIJFY-UHFFFAOYSA-N -1 3 349.412 2.518 10 5 EFBEHM CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180195930 473825351 /nfs/dbraw/zinc/82/53/51/473825351.db2.gz AFFYSZKIJCVFRN-QMMMGPOBSA-N -1 3 338.838 2.586 10 5 EFBEHM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1csc(-c2ncccn2)n1 ZINC000608870339 480101670 /nfs/dbraw/zinc/10/16/70/480101670.db2.gz BSTMEYBCODRAOB-UHFFFAOYSA-N -1 3 345.315 2.900 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CCc2ccsc2)c1[N+](=O)[O-] ZINC000189835182 474490625 /nfs/dbraw/zinc/49/06/25/474490625.db2.gz PXNAXGNXOIVXAB-UHFFFAOYSA-N -1 3 340.426 2.794 10 5 EFBEHM CN(CCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-])Cc1ccco1 ZINC000339202779 475036125 /nfs/dbraw/zinc/03/61/25/475036125.db2.gz ZVHSZHNJZZFYSK-UHFFFAOYSA-N -1 3 333.388 2.847 10 5 EFBEHM CC(C)(C)c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c([O-])c1 ZINC000337657696 475217384 /nfs/dbraw/zinc/21/73/84/475217384.db2.gz OHESAXPXTQEKGU-UHFFFAOYSA-N -1 3 332.360 2.823 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(Cc3ccccc3)s2)n1 ZINC000357909009 475252734 /nfs/dbraw/zinc/25/27/34/475252734.db2.gz KLHOJSWLXJRXOV-UHFFFAOYSA-N -1 3 343.368 2.628 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000352472774 475328503 /nfs/dbraw/zinc/32/85/03/475328503.db2.gz KAFXNAFOBXXEJG-GDNZZTSVSA-N -1 3 342.417 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1C[C@@H](C)C[C@H](C)C1 ZINC000352472776 475328827 /nfs/dbraw/zinc/32/88/27/475328827.db2.gz KAFXNAFOBXXEJG-QWRGUYRKSA-N -1 3 342.417 2.706 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)n1 ZINC000331740755 475399787 /nfs/dbraw/zinc/39/97/87/475399787.db2.gz AIUOQXGAMFWMNW-MRVPVSSYSA-N -1 3 335.389 2.645 10 5 EFBEHM CCN(CCN1CCCCCC1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000346351262 475587754 /nfs/dbraw/zinc/58/77/54/475587754.db2.gz UWSDAEUXRIBNPC-UHFFFAOYSA-N -1 3 335.404 2.639 10 5 EFBEHM O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cc[nH]c1C1CC1 ZINC000352799103 475636532 /nfs/dbraw/zinc/63/65/32/475636532.db2.gz WKTNLBYAZFIENN-UHFFFAOYSA-N -1 3 337.339 2.865 10 5 EFBEHM COc1ccc(-c2csc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])n2)cc1 ZINC000343166543 475824386 /nfs/dbraw/zinc/82/43/86/475824386.db2.gz XKYQVCDOXXOQSU-UHFFFAOYSA-N -1 3 345.340 2.702 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000354490393 476684926 /nfs/dbraw/zinc/68/49/26/476684926.db2.gz QJOMPHKRGMJMKC-NTZNESFSSA-N -1 3 342.417 2.706 10 5 EFBEHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000431610202 477061533 /nfs/dbraw/zinc/06/15/33/477061533.db2.gz PFPWMJSYGJCDEQ-HAQNSBGRSA-N -1 3 342.417 2.851 10 5 EFBEHM Cc1nccc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000448314075 477159657 /nfs/dbraw/zinc/15/96/57/477159657.db2.gz WLSIXHQNNRMDAB-UHFFFAOYSA-N -1 3 326.234 2.964 10 5 EFBEHM O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]CCCCF ZINC000416482925 477185070 /nfs/dbraw/zinc/18/50/70/477185070.db2.gz HNVCHURKQCTIJY-UHFFFAOYSA-N -1 3 344.286 2.642 10 5 EFBEHM O=c1[n-]nc(C2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)o1 ZINC000450912881 477759256 /nfs/dbraw/zinc/75/92/56/477759256.db2.gz ICNNBTBLMPAMIK-UHFFFAOYSA-N -1 3 338.751 2.716 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594480187 478404884 /nfs/dbraw/zinc/40/48/84/478404884.db2.gz MGAPVKLQIOGRFY-HAQNSBGRSA-N -1 3 342.417 2.528 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594488183 478407353 /nfs/dbraw/zinc/40/73/53/478407353.db2.gz QBTCVNMJMIARGD-OCCSQVGLSA-N -1 3 342.417 2.529 10 5 EFBEHM O=C([O-])[C@H]1c2ccoc2CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000600674483 478464360 /nfs/dbraw/zinc/46/43/60/478464360.db2.gz NJIROBUXAQPOQP-MRXNPFEDSA-N -1 3 346.339 2.641 10 5 EFBEHM C[C@@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(F)(F)F ZINC000600817745 478532487 /nfs/dbraw/zinc/53/24/87/478532487.db2.gz VILALJDSDBFJNJ-QMMMGPOBSA-N -1 3 342.277 2.934 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000594852577 478560564 /nfs/dbraw/zinc/56/05/64/478560564.db2.gz LQFOYSGQHBIDSC-GARJFASQSA-N -1 3 330.431 2.679 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@]2(C)CC2(F)F)c1C ZINC000594851254 478560760 /nfs/dbraw/zinc/56/07/60/478560760.db2.gz IHWVEUAVTDNYBF-LBPRGKRZSA-N -1 3 334.344 2.535 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c1C ZINC000594857916 478562436 /nfs/dbraw/zinc/56/24/36/478562436.db2.gz PTDFOWDFKZNIBK-ZDUSSCGKSA-N -1 3 348.371 2.925 10 5 EFBEHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)n2C)c1 ZINC000597897222 478563352 /nfs/dbraw/zinc/56/33/52/478563352.db2.gz LGGLEPIIPOFBIP-UHFFFAOYSA-N -1 3 333.373 2.575 10 5 EFBEHM CC[C@H](C)n1nc([N-]c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)cc1C ZINC000601138727 478681413 /nfs/dbraw/zinc/68/14/13/478681413.db2.gz XDNSSEWZDAAMIR-ZETCQYMHSA-N -1 3 346.313 2.989 10 5 EFBEHM CSC1(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCC1 ZINC000601405666 478823370 /nfs/dbraw/zinc/82/33/70/478823370.db2.gz SDBWKHXUWJWUQU-UHFFFAOYSA-N -1 3 336.460 2.529 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000601460595 478843880 /nfs/dbraw/zinc/84/38/80/478843880.db2.gz JQCCXLMCWATAGB-MNOVXSKESA-N -1 3 348.446 2.591 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000506257410 478895403 /nfs/dbraw/zinc/89/54/03/478895403.db2.gz YAXVEQSSDGUTMH-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)cc1C ZINC000598623565 478931215 /nfs/dbraw/zinc/93/12/15/478931215.db2.gz YBYVYDYYFUQBPP-JTQLQIEISA-N -1 3 334.344 2.535 10 5 EFBEHM CO[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C1CCCC1 ZINC000598680605 478966844 /nfs/dbraw/zinc/96/68/44/478966844.db2.gz GVHXUULYCKTNSA-INIZCTEOSA-N -1 3 344.371 2.551 10 5 EFBEHM NC1(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC2(CCC2)C1 ZINC000595956481 479082484 /nfs/dbraw/zinc/08/24/84/479082484.db2.gz RAEHBQXBPLQOEO-UHFFFAOYSA-N -1 3 325.752 2.554 10 5 EFBEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000592950585 479106048 /nfs/dbraw/zinc/10/60/48/479106048.db2.gz REDXUIWPCLKJQM-UHFFFAOYSA-N -1 3 343.387 2.998 10 5 EFBEHM COc1cccc(N2CC[C@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596105796 479141124 /nfs/dbraw/zinc/14/11/24/479141124.db2.gz YUKWIUDSLPMGEC-GFCCVEGCSA-N -1 3 344.371 2.642 10 5 EFBEHM C[C@H]1CN(c2cc[n-]c(=O)c2[N+](=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000596140333 479160466 /nfs/dbraw/zinc/16/04/66/479160466.db2.gz GQJHKRMKNMERJM-IINYFYTJSA-N -1 3 333.319 2.801 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)nc1 ZINC000593545119 479382976 /nfs/dbraw/zinc/38/29/76/479382976.db2.gz UHOOJWPWGHXAPI-INIZCTEOSA-N -1 3 347.396 2.810 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1C ZINC000588144398 479398249 /nfs/dbraw/zinc/39/82/49/479398249.db2.gz HYDFLWWRTGDDNM-LBPRGKRZSA-N -1 3 334.344 2.678 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000604019994 479463620 /nfs/dbraw/zinc/46/36/20/479463620.db2.gz XMTFLKRTYWOROB-OAHLLOKOSA-N -1 3 346.408 2.739 10 5 EFBEHM CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCC(F)(F)CC1 ZINC000612137994 479595494 /nfs/dbraw/zinc/59/54/94/479595494.db2.gz NTWYRDVIAZBKRO-UHFFFAOYSA-N -1 3 334.344 2.841 10 5 EFBEHM CSc1cc([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000612735317 479746331 /nfs/dbraw/zinc/74/63/31/479746331.db2.gz FNWIZHNKLSHQEJ-UHFFFAOYSA-N -1 3 339.398 2.654 10 5 EFBEHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066000654 521369202 /nfs/dbraw/zinc/36/92/02/521369202.db2.gz WYVBJNJKIHOPBY-UHFFFAOYSA-N -1 3 342.398 2.534 10 5 EFBEHM CCc1ccc(C(=O)Nc2cc(-c3nccn3C)[n-]n2)cc1[N+](=O)[O-] ZINC000119706065 523895477 /nfs/dbraw/zinc/89/54/77/523895477.db2.gz OXQKQCNQXQFNAJ-UHFFFAOYSA-N -1 3 340.343 2.533 10 5 EFBEHM CCc1ccc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)cc1[N+](=O)[O-] ZINC000119706065 523895483 /nfs/dbraw/zinc/89/54/83/523895483.db2.gz OXQKQCNQXQFNAJ-UHFFFAOYSA-N -1 3 340.343 2.533 10 5 EFBEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162697812 528421294 /nfs/dbraw/zinc/42/12/94/528421294.db2.gz IAQIIBGCRMMMMS-MRVPVSSYSA-N -1 3 340.323 2.936 10 5 EFBEHM CCC(C)(CC)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186984083 528614606 /nfs/dbraw/zinc/61/46/06/528614606.db2.gz CERTYSVQMGRWSV-UHFFFAOYSA-N -1 3 334.369 2.600 10 5 EFBEHM Cc1cc(F)cc(C(=O)[N-]c2nc3ccccc3c(=O)[nH]2)c1[N+](=O)[O-] ZINC000760502522 576036458 /nfs/dbraw/zinc/03/64/58/576036458.db2.gz KRVHKOWULBVOPQ-UHFFFAOYSA-N -1 3 342.286 2.943 10 5 EFBEHM CC1([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)CCC(F)(F)CC1 ZINC000768887891 577314168 /nfs/dbraw/zinc/31/41/68/577314168.db2.gz XMJPLZRNKCHWCU-UHFFFAOYSA-N -1 3 340.373 2.903 10 5 EFBEHM O=C([N-][C@@H](CO)c1ccsc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000771527732 581220568 /nfs/dbraw/zinc/22/05/68/581220568.db2.gz BBSLEYLPWBMHNG-LBPRGKRZSA-N -1 3 342.323 2.598 10 5 EFBEHM O=c1[n-]ccc(NCc2ccc(N3CCCCC3=O)cc2)c1[N+](=O)[O-] ZINC000585098019 1277211647 /nfs/dbraw/zinc/21/16/47/1277211647.db2.gz GXSHDJZPCICTEZ-UHFFFAOYSA-N -1 3 342.355 2.824 10 5 EFBEHM CCOC(=O)c1ncc(NC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000793959480 1279958481 /nfs/dbraw/zinc/95/84/81/1279958481.db2.gz KIQHVZRIWIFCQK-NTMALXAHSA-N -1 3 344.327 2.537 10 5 EFBEHM CCOC(=O)c1nc(NC(=O)C(C)=Cc2ccc([N+](=O)[O-])cc2)c[n-]1 ZINC000793959480 1279958489 /nfs/dbraw/zinc/95/84/89/1279958489.db2.gz KIQHVZRIWIFCQK-NTMALXAHSA-N -1 3 344.327 2.537 10 5 EFBEHM COc1cc(CO[N-]C(=O)CCOc2ccccc2)ccc1[N+](=O)[O-] ZINC000809994921 1282728063 /nfs/dbraw/zinc/72/80/63/1282728063.db2.gz AGFWLVAFSBFNFY-UHFFFAOYSA-N -1 3 346.339 2.620 10 5 EFBEHM CC(=O)c1cccc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC001191935249 1292720207 /nfs/dbraw/zinc/72/02/07/1292720207.db2.gz QLPWPMKYJBUKJK-UHFFFAOYSA-N -1 3 348.380 2.584 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)[C@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000867682234 1303907649 /nfs/dbraw/zinc/90/76/49/1303907649.db2.gz CWMQTJWQPQFNRI-LLVKDONJSA-N -1 3 348.446 2.591 10 5 EFBEHM Cc1nc(COc2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc2)no1 ZINC001162482571 1312111548 /nfs/dbraw/zinc/11/15/48/1312111548.db2.gz JIDRIIAUBARGLV-UHFFFAOYSA-N -1 3 343.299 2.709 10 5 EFBEHM Cn1c(=O)c([N+](=O)[O-])c(NCc2ccc([O-])c(F)c2)c2ccccc21 ZINC001162597226 1312132280 /nfs/dbraw/zinc/13/22/80/1312132280.db2.gz HOFWISDELYVCRY-UHFFFAOYSA-N -1 3 343.314 2.904 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001162885046 1312197216 /nfs/dbraw/zinc/19/72/16/1312197216.db2.gz BVHXGSUHQNJPKQ-UHFFFAOYSA-N -1 3 346.343 2.834 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001162885046 1312197219 /nfs/dbraw/zinc/19/72/19/1312197219.db2.gz BVHXGSUHQNJPKQ-UHFFFAOYSA-N -1 3 346.343 2.834 10 5 EFBEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106134 1321799649 /nfs/dbraw/zinc/79/96/49/1321799649.db2.gz GKTZBQZUILCWRF-VXGBXAGGSA-N -1 3 339.311 2.715 10 5 EFBEHM C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1nc(C(F)(F)F)n[n-]1 ZINC001307219774 1323044878 /nfs/dbraw/zinc/04/48/78/1323044878.db2.gz TYOPLELGLCIVCG-SCSAIBSYSA-N -1 3 336.661 2.953 10 5 EFBEHM CC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1[O-] ZINC001298749170 1323601628 /nfs/dbraw/zinc/60/16/28/1323601628.db2.gz RCRXTACIEDDBQG-UHFFFAOYSA-N -1 3 344.323 2.829 10 5 EFBEHM COc1nscc1[N-]C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC001303232372 1324599050 /nfs/dbraw/zinc/59/90/50/1324599050.db2.gz QVOZHMXWDVXRBX-UHFFFAOYSA-N -1 3 338.301 2.529 10 5 EFBEHM O=C([O-])[C@@H](CCF)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001329870026 1330744478 /nfs/dbraw/zinc/74/44/78/1330744478.db2.gz JAFZBOWVBOIGKC-GFCCVEGCSA-N -1 3 339.348 2.621 10 5 EFBEHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001439214303 1389052169 /nfs/dbraw/zinc/05/21/69/1389052169.db2.gz RDJJDAASEBNMIZ-LLVKDONJSA-N -1 3 337.335 2.927 10 5 EFBEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1ccc([N+](=O)[O-])s1 ZINC001456931445 1394869896 /nfs/dbraw/zinc/86/98/96/1394869896.db2.gz CLFSWGPIOGPILK-MGCOHNPYSA-N -1 3 348.384 2.608 10 5 EFBEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001456936576 1394874709 /nfs/dbraw/zinc/87/47/09/1394874709.db2.gz NUSXPIQYGMOONY-AULYBMBSSA-N -1 3 342.355 2.547 10 5 EFBEHM Cn1c(Sc2cc[n-]c(=O)c2[N+](=O)[O-])nnc1-c1ccccc1 ZINC001458090007 1395406479 /nfs/dbraw/zinc/40/64/79/1395406479.db2.gz RGEGNHMWVYKNKG-UHFFFAOYSA-N -1 3 329.341 2.642 10 5 EFBEHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCc1ccc([O-])c(F)c1 ZINC001465953896 1396725798 /nfs/dbraw/zinc/72/57/98/1396725798.db2.gz FWOVLJLALKGXDE-UHFFFAOYSA-N -1 3 346.314 2.719 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(OC)ccc1[O-] ZINC001466538341 1396761412 /nfs/dbraw/zinc/76/14/12/1396761412.db2.gz YNTVWCPMMMVDMG-UHFFFAOYSA-N -1 3 332.312 2.960 10 5 EFBEHM CNc1c(C(=O)Nc2cccc(C(C)=O)c2[O-])cccc1[N+](=O)[O-] ZINC001468600464 1396971298 /nfs/dbraw/zinc/97/12/98/1396971298.db2.gz CSCXWPSFTVHDAU-UHFFFAOYSA-N -1 3 329.312 2.797 10 5 EFBEHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C2 ZINC001470673932 1397108904 /nfs/dbraw/zinc/10/89/04/1397108904.db2.gz ISTSXWQVLAQCDE-UHFFFAOYSA-N -1 3 348.746 2.517 10 5 EFBEHM Cc1cc(C)n2nc(Sc3nc4ccc([N+](=O)[O-])cc4[n-]3)nc2n1 ZINC001472650189 1397265480 /nfs/dbraw/zinc/26/54/80/1397265480.db2.gz NGUPUTAYIUWLCP-UHFFFAOYSA-N -1 3 341.356 2.677 10 5 EFBEHM Cc1cc(C)n2nc(Sc3nc4cc([N+](=O)[O-])ccc4[n-]3)nc2n1 ZINC001472650189 1397265486 /nfs/dbraw/zinc/26/54/86/1397265486.db2.gz NGUPUTAYIUWLCP-UHFFFAOYSA-N -1 3 341.356 2.677 10 5 EFBEHM CNc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1conc1C(F)(F)F ZINC001557173947 1415110073 /nfs/dbraw/zinc/11/00/73/1415110073.db2.gz YJJKKLGXEOPWAG-UHFFFAOYSA-N -1 3 330.222 2.896 10 5 EFBEHM O=c1cc([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227693 1415231562 /nfs/dbraw/zinc/23/15/62/1415231562.db2.gz ZYAJYZWUTOTKLX-SNVBAGLBSA-N -1 3 325.328 2.566 10 5 EFBEHM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1 ZINC001566991916 1415892722 /nfs/dbraw/zinc/89/27/22/1415892722.db2.gz DANJULWDHLGXSJ-UHFFFAOYSA-N -1 3 325.683 2.765 10 5 EFBEHM O=C([N-]c1nn(CC(F)(F)F)cc1Cl)c1ccc([N+](=O)[O-])o1 ZINC001584802450 1092290177 /nfs/dbraw/zinc/29/01/77/1092290177.db2.gz IAFZUIQWGKKELI-UHFFFAOYSA-N -1 3 338.629 2.852 10 5 EFBEHM COc1ccccc1-c1ccnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC001595794972 1094495260 /nfs/dbraw/zinc/49/52/60/1094495260.db2.gz AEEQSAQLVQVKMN-UHFFFAOYSA-N -1 3 340.295 2.906 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001610940044 1098965577 /nfs/dbraw/zinc/96/55/77/1098965577.db2.gz MPMCVELOZVSSIZ-UHFFFAOYSA-N -1 3 327.300 2.842 10 5 EFBEHM CN(C(=O)C1CC1)c1ccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001612946267 1099084504 /nfs/dbraw/zinc/08/45/04/1099084504.db2.gz USOQHTGKGQDNLV-UHFFFAOYSA-N -1 3 328.328 2.812 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccc(F)cc3[N+](=O)[O-])CC2)n1 ZINC001612983669 1099086253 /nfs/dbraw/zinc/08/62/53/1099086253.db2.gz CRWLDMFQKRQTTO-UHFFFAOYSA-N -1 3 347.350 2.619 10 5 EFBEHM O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)[N-]OCc1ccccc1 ZINC001623909651 1099639072 /nfs/dbraw/zinc/63/90/72/1099639072.db2.gz ZOXXWARVEYMMQZ-UHFFFAOYSA-N -1 3 328.324 2.806 10 5 EFBEHM C[C@H](CN1CCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001624312191 1099681516 /nfs/dbraw/zinc/68/15/16/1099681516.db2.gz XHCWGLRJKMSWLI-SNVBAGLBSA-N -1 3 341.795 2.558 10 5 EFBEHM CN(C)Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001626399995 1099870784 /nfs/dbraw/zinc/87/07/84/1099870784.db2.gz XNQMMPDGORMUNF-UHFFFAOYSA-N -1 3 333.319 2.753 10 5 EFBEHM CC(C)C(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC001627990327 1100048056 /nfs/dbraw/zinc/04/80/56/1100048056.db2.gz RKWMMAVWQKQVGY-UHFFFAOYSA-N -1 3 329.312 2.786 10 5 EFBEHM CCOc1c(Cl)cccc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001631147729 1100374894 /nfs/dbraw/zinc/37/48/94/1100374894.db2.gz QVZQVFSCHRSHNH-UHFFFAOYSA-N -1 3 337.719 3.000 10 5 EFBEHM COC(=O)c1cc(C(=O)[N-]c2cnoc2C(C)C)cc([N+](=O)[O-])c1 ZINC001634644871 1100621377 /nfs/dbraw/zinc/62/13/77/1100621377.db2.gz OODWSTJDUCASKC-UHFFFAOYSA-N -1 3 333.300 2.745 10 5 EFBEHM O=c1[n-]ccc(NCc2cccc(OCC(F)F)c2)c1[N+](=O)[O-] ZINC001642199102 1101196842 /nfs/dbraw/zinc/19/68/42/1101196842.db2.gz SJBBZOCFSAZAKI-UHFFFAOYSA-N -1 3 325.271 2.951 10 5 EFBEHM CC(C)c1[nH]nc(C(=O)[N-]c2cccc3nsnc32)c1[N+](=O)[O-] ZINC001642599722 1101226081 /nfs/dbraw/zinc/22/60/81/1101226081.db2.gz AAYJSVMNHBLYNG-UHFFFAOYSA-N -1 3 332.345 2.698 10 5 EFBEHM O=[N+]([O-])c1c(NCc2ccc3oc([O-])nc3c2)nc2sccn21 ZINC001643149535 1101275293 /nfs/dbraw/zinc/27/52/93/1101275293.db2.gz PNAQLGAJWPICQO-UHFFFAOYSA-N -1 3 331.313 2.763 10 5 EFBEHM O=c1[n-]ccc(N[C@@H]2C[C@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327178 1101290559 /nfs/dbraw/zinc/29/05/59/1101290559.db2.gz IMEZWOQRXUWBQD-DYVFJYSZSA-N -1 3 343.339 2.790 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3ccsc3[N+](=O)[O-])CC2)n1 ZINC001652277688 1101466620 /nfs/dbraw/zinc/46/66/20/1101466620.db2.gz RHTLFCAWQRAFCQ-UHFFFAOYSA-N -1 3 335.389 2.541 10 5 EFBEHM Cc1cnc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c([N+](=O)[O-])c1 ZINC001652320065 1101474944 /nfs/dbraw/zinc/47/49/44/1101474944.db2.gz ARRHZEKWKCGZTE-HAQNSBGRSA-N -1 3 329.360 2.932 10 5 EFBEHM Cc1c(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cccc1[N+](=O)[O-] ZINC001652795442 1101546924 /nfs/dbraw/zinc/54/69/24/1101546924.db2.gz VBOGFJJEJUGBKL-ZETCQYMHSA-N -1 3 343.265 2.531 10 5 EFBEHM CCc1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1[O-] ZINC001653039945 1101579270 /nfs/dbraw/zinc/57/92/70/1101579270.db2.gz XNMBAVNNSUFULZ-UHFFFAOYSA-N -1 3 344.323 2.886 10 5 EFBEHM O=C([N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(F)s1 ZINC001654291853 1101702217 /nfs/dbraw/zinc/70/22/17/1101702217.db2.gz HOGVOFBMNFNZRU-UHFFFAOYSA-N -1 3 333.304 2.833 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001655492005 1101836580 /nfs/dbraw/zinc/83/65/80/1101836580.db2.gz NJCXGIBIKYDUGY-UHFFFAOYSA-N -1 3 326.356 2.526 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3cc(C)c([N+](=O)[O-])cc3F)C2)n1 ZINC001655847550 1101900571 /nfs/dbraw/zinc/90/05/71/1101900571.db2.gz GBYIMIMPGPDVNX-NSHDSACASA-N -1 3 347.350 2.537 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CC[C@H](Nc3ccc([N+](=O)[O-])cc3Cl)C2)n1 ZINC001655848070 1101900990 /nfs/dbraw/zinc/90/09/90/1101900990.db2.gz NURITNWNZFSVJV-JTQLQIEISA-N -1 3 349.778 2.743 10 5 EFBEHM Cc1cccc(C)c1NC(=O)c1n[n-]c([N+](=O)[O-])c1Br ZINC000020418179 212126939 /nfs/dbraw/zinc/12/69/39/212126939.db2.gz WLUNXGHRQVANSD-UHFFFAOYSA-N -1 3 339.149 2.950 10 5 EFBEHM Cc1cccc(C)c1NC(=O)c1[n-]nc([N+](=O)[O-])c1Br ZINC000020418179 212126940 /nfs/dbraw/zinc/12/69/40/212126940.db2.gz WLUNXGHRQVANSD-UHFFFAOYSA-N -1 3 339.149 2.950 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC(C)(C)C1 ZINC000442766062 250113314 /nfs/dbraw/zinc/11/33/14/250113314.db2.gz JHTIVRWZKMQUPA-LLVKDONJSA-N -1 3 342.417 2.851 10 5 EFBEHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])c1cc([N+](=O)[O-])c[nH]1 ZINC000442803585 250122219 /nfs/dbraw/zinc/12/22/19/250122219.db2.gz XDXKYEYDGIMVNZ-UHFFFAOYSA-N -1 3 331.206 2.779 10 5 EFBEHM Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-]C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100477790 258068781 /nfs/dbraw/zinc/06/87/81/258068781.db2.gz DQCSOIHTYPROIQ-UHFFFAOYSA-N -1 3 346.255 2.972 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC(C)(C)C1CC1 ZINC000339106969 144691781 /nfs/dbraw/zinc/69/17/81/144691781.db2.gz KFAXLEZXUDYAKE-UHFFFAOYSA-N -1 3 342.417 2.708 10 5 EFBEHM CCCCN1CCCC[C@H]1CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000351964132 146250109 /nfs/dbraw/zinc/25/01/09/146250109.db2.gz JUVBITMUDVEKDO-ZDUSSCGKSA-N -1 3 335.404 2.685 10 5 EFBEHM O=C(Nc1ncccc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359565295 148124594 /nfs/dbraw/zinc/12/45/94/148124594.db2.gz HTXMSLOYKHJYQV-UHFFFAOYSA-N -1 3 325.227 2.549 10 5 EFBEHM O=C(Nc1cccc(CCCO)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000359601011 148135763 /nfs/dbraw/zinc/13/57/63/148135763.db2.gz GEJXNKSNHPKCKZ-UHFFFAOYSA-N -1 3 340.339 2.648 10 5 EFBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(C)cc([N+](=O)[O-])c2)s1 ZINC000368736623 150192565 /nfs/dbraw/zinc/19/25/65/150192565.db2.gz VDVXFXCKYUMLLT-UHFFFAOYSA-N -1 3 344.356 2.706 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000360436266 286249990 /nfs/dbraw/zinc/24/99/90/286249990.db2.gz HRAFTMVSAJYRSH-UHFFFAOYSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-]CCC2CCCC2)cc1[N+](=O)[O-] ZINC000186308002 265061857 /nfs/dbraw/zinc/06/18/57/265061857.db2.gz ZZLIQROAYGSWAA-UHFFFAOYSA-N -1 3 346.380 2.601 10 5 EFBEHM C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000280787498 273366729 /nfs/dbraw/zinc/36/67/29/273366729.db2.gz NYIHCMXFAWYQTF-GFCCVEGCSA-N -1 3 335.404 2.541 10 5 EFBEHM Cc1c([N-]S(=O)(=O)C2CC2)cc(Br)cc1[N+](=O)[O-] ZINC000281911995 273486612 /nfs/dbraw/zinc/48/66/12/273486612.db2.gz GIVGAIZCTBCHNT-UHFFFAOYSA-N -1 3 335.179 2.570 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC1(CC(C)C)CC1 ZINC000152330612 293329170 /nfs/dbraw/zinc/32/91/70/293329170.db2.gz ZSOZRJCHSLMKDH-UHFFFAOYSA-N -1 3 342.417 2.708 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2COc3ccccc32)c1[N+](=O)[O-] ZINC000189920130 301558032 /nfs/dbraw/zinc/55/80/32/301558032.db2.gz JILHMTPBBGOGFV-ZDUSSCGKSA-N -1 3 348.380 2.624 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000362923293 302048195 /nfs/dbraw/zinc/04/81/95/302048195.db2.gz RJFIYPAAOBSYMB-SNVBAGLBSA-N -1 3 334.344 2.759 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000362923292 302049956 /nfs/dbraw/zinc/04/99/56/302049956.db2.gz RJFIYPAAOBSYMB-JTQLQIEISA-N -1 3 334.344 2.759 10 5 EFBEHM CCOC(=O)c1cc(C)sc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531627683 317293307 /nfs/dbraw/zinc/29/33/07/317293307.db2.gz LUUYAQCTGBYQAZ-UHFFFAOYSA-N -1 3 335.341 2.789 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Cl)cc3cccnc32)n1 ZINC000540930653 317759512 /nfs/dbraw/zinc/75/95/12/317759512.db2.gz WQAABTFCRCGXGV-UHFFFAOYSA-N -1 3 331.719 2.782 10 5 EFBEHM O=C(N=c1cc2ccccn2[n-]1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000552992099 318267530 /nfs/dbraw/zinc/26/75/30/318267530.db2.gz QZYULVJFEAPHBM-UHFFFAOYSA-N -1 3 348.265 2.518 10 5 EFBEHM CN(CCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccco1 ZINC000576993959 320067458 /nfs/dbraw/zinc/06/74/58/320067458.db2.gz HVTSEQZHQDBMSD-UHFFFAOYSA-N -1 3 347.371 2.844 10 5 EFBEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000067951203 472114781 /nfs/dbraw/zinc/11/47/81/472114781.db2.gz MJWOXILCJZTWHB-JTQLQIEISA-N -1 3 341.414 2.708 10 5 EFBEHM C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000056083881 472280291 /nfs/dbraw/zinc/28/02/91/472280291.db2.gz WJRUHLLCXFMWGP-LLVKDONJSA-N -1 3 337.335 2.927 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)c1ccccc1 ZINC000030493451 472334163 /nfs/dbraw/zinc/33/41/63/472334163.db2.gz BRBAZDWFZWDAFL-NSHDSACASA-N -1 3 336.369 2.643 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000044783305 472339389 /nfs/dbraw/zinc/33/93/89/472339389.db2.gz OIRTTZFARDXJEM-UHFFFAOYSA-N -1 3 342.417 2.852 10 5 EFBEHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000088547034 472372841 /nfs/dbraw/zinc/37/28/41/472372841.db2.gz HICVNQPBBCGVSD-UHFFFAOYSA-N -1 3 340.332 2.852 10 5 EFBEHM COc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c(Br)c2)on1 ZINC000097108990 472451260 /nfs/dbraw/zinc/45/12/60/472451260.db2.gz PJWYGMQKJFTJJP-UHFFFAOYSA-N -1 3 342.105 2.606 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[n-]1 ZINC000097162559 472469787 /nfs/dbraw/zinc/46/97/87/472469787.db2.gz VXVYRTXPNFKYTM-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[n-]n1 ZINC000097162559 472469790 /nfs/dbraw/zinc/46/97/90/472469790.db2.gz VXVYRTXPNFKYTM-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000063186857 472758195 /nfs/dbraw/zinc/75/81/95/472758195.db2.gz GSYCULGEKRIIHJ-KBPBESRZSA-N -1 3 332.381 2.738 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C)c1nccs1 ZINC000159979019 473077082 /nfs/dbraw/zinc/07/70/82/473077082.db2.gz UYGRRGURRONXFJ-NSHDSACASA-N -1 3 341.414 2.789 10 5 EFBEHM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000186988657 473795001 /nfs/dbraw/zinc/79/50/01/473795001.db2.gz DAEGWVJDBXNFIP-VIFPVBQESA-N -1 3 346.380 2.600 10 5 EFBEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000184403079 474510108 /nfs/dbraw/zinc/51/01/08/474510108.db2.gz CKDGTMJFFKZARU-SNVBAGLBSA-N -1 3 341.414 2.540 10 5 EFBEHM C[C@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000291625051 474634763 /nfs/dbraw/zinc/63/47/63/474634763.db2.gz HFTLQSAPBVTYGP-BLLLJJGKSA-N -1 3 343.383 2.722 10 5 EFBEHM Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338999682 474819736 /nfs/dbraw/zinc/81/97/36/474819736.db2.gz IZXPMFYTDUXCSC-LQDVMPOASA-N -1 3 342.399 2.945 10 5 EFBEHM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000255208173 474820914 /nfs/dbraw/zinc/82/09/14/474820914.db2.gz ODGOARNCCWHMEY-YVMONPNESA-N -1 3 348.380 2.595 10 5 EFBEHM Cc1ccc(CN(C)C)cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000339222955 475053987 /nfs/dbraw/zinc/05/39/87/475053987.db2.gz GUYBCBRZEOGUEM-UHFFFAOYSA-N -1 3 329.356 2.923 10 5 EFBEHM CCc1ccc2nc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])sc2c1 ZINC000357955140 475290554 /nfs/dbraw/zinc/29/05/54/475290554.db2.gz NFFYDDJYPRNIFC-UHFFFAOYSA-N -1 3 331.357 2.753 10 5 EFBEHM Cc1cc(-c2csc([N-]C(=O)c3nn(C)cc3[N+](=O)[O-])n2)c(C)o1 ZINC000357955792 475290843 /nfs/dbraw/zinc/29/08/43/475290843.db2.gz SKGJHAXMXNWQED-UHFFFAOYSA-N -1 3 347.356 2.914 10 5 EFBEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000354623264 475298067 /nfs/dbraw/zinc/29/80/67/475298067.db2.gz LTWHYCIRKVCQPM-HNNXBMFYSA-N -1 3 348.380 2.624 10 5 EFBEHM O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000343014974 475698708 /nfs/dbraw/zinc/69/87/08/475698708.db2.gz PDAWHWPNHLRJHU-UHFFFAOYSA-N -1 3 348.322 2.535 10 5 EFBEHM CCOc1cc(-c2noc(-c3nn(CC)cc3[N+](=O)[O-])n2)ccc1[O-] ZINC000350611893 476266070 /nfs/dbraw/zinc/26/60/70/476266070.db2.gz PEAABLGRZKHGIU-UHFFFAOYSA-N -1 3 345.315 2.633 10 5 EFBEHM Cc1nnccc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000362728367 476372525 /nfs/dbraw/zinc/37/25/25/476372525.db2.gz ZIUZMHGOHDAYNR-UHFFFAOYSA-N -1 3 343.162 2.770 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c(F)c1 ZINC000362913224 476477584 /nfs/dbraw/zinc/47/75/84/476477584.db2.gz QCANEEOWQPBIAK-ZPPKWKGLSA-N -1 3 328.365 2.591 10 5 EFBEHM CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000431606780 477060414 /nfs/dbraw/zinc/06/04/14/477060414.db2.gz VDCHXJNJWSSYAH-HAQNSBGRSA-N -1 3 342.417 2.851 10 5 EFBEHM CC[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC000431865679 477112039 /nfs/dbraw/zinc/11/20/39/477112039.db2.gz ROIBJBKQWNRVGD-ZDUSSCGKSA-N -1 3 343.318 2.886 10 5 EFBEHM CC[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000431865679 477112045 /nfs/dbraw/zinc/11/20/45/477112045.db2.gz ROIBJBKQWNRVGD-ZDUSSCGKSA-N -1 3 343.318 2.886 10 5 EFBEHM CC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc([N+](=O)[O-])c1 ZINC000431865679 477112048 /nfs/dbraw/zinc/11/20/48/477112048.db2.gz ROIBJBKQWNRVGD-ZDUSSCGKSA-N -1 3 343.318 2.886 10 5 EFBEHM C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416366083 477146710 /nfs/dbraw/zinc/14/67/10/477146710.db2.gz BTAMOPNWOCOPAQ-JGVFFNPUSA-N -1 3 338.307 2.548 10 5 EFBEHM CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000416554149 477212882 /nfs/dbraw/zinc/21/28/82/477212882.db2.gz FPVVDAFNESOMPC-ZDUSSCGKSA-N -1 3 342.417 2.851 10 5 EFBEHM C[C@H](CC(F)(F)F)C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000411760036 477357552 /nfs/dbraw/zinc/35/75/52/477357552.db2.gz RDWBOZZVUGONJG-MRVPVSSYSA-N -1 3 342.277 2.934 10 5 EFBEHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000426681744 477737614 /nfs/dbraw/zinc/73/76/14/477737614.db2.gz CBMTUKJIOROWEX-MRXNPFEDSA-N -1 3 330.340 2.827 10 5 EFBEHM COC(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c[n-]1 ZINC000456161163 477803663 /nfs/dbraw/zinc/80/36/63/477803663.db2.gz JEJLJHRQYVBUIA-UHFFFAOYSA-N -1 3 346.343 2.782 10 5 EFBEHM Cc1cc(NC[C@H](CC(=O)[O-])C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000594736795 478521441 /nfs/dbraw/zinc/52/14/41/478521441.db2.gz VJIOIARFMVXPIU-LBPRGKRZSA-N -1 3 329.356 2.786 10 5 EFBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000591330705 478525438 /nfs/dbraw/zinc/52/54/38/478525438.db2.gz YAZKTNMFEOKOKY-UHFFFAOYSA-N -1 3 340.401 2.605 10 5 EFBEHM CC1(C[N-]S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CCC1 ZINC000594763736 478534790 /nfs/dbraw/zinc/53/47/90/478534790.db2.gz ZEKVYHHGXIFMDX-UHFFFAOYSA-N -1 3 335.385 2.612 10 5 EFBEHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000594812986 478548324 /nfs/dbraw/zinc/54/83/24/478548324.db2.gz KJCFUYMAHDMSQO-SNVBAGLBSA-N -1 3 330.406 2.706 10 5 EFBEHM COc1cc(CNCc2c(C3CCC3)cnn2C)c([N+](=O)[O-])cc1[O-] ZINC000594985573 478618914 /nfs/dbraw/zinc/61/89/14/478618914.db2.gz XOKKAJHZWPMLIV-UHFFFAOYSA-N -1 3 346.387 2.600 10 5 EFBEHM CCCn1c(=O)[n-]nc1SCc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492312421 478924698 /nfs/dbraw/zinc/92/46/98/478924698.db2.gz LGBBULBIGNSBEX-UHFFFAOYSA-N -1 3 338.389 2.993 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C)C(F)(F)F ZINC000598619048 478930469 /nfs/dbraw/zinc/93/04/69/478930469.db2.gz YOVULFYXVAUUPI-JTQLQIEISA-N -1 3 340.323 2.831 10 5 EFBEHM Cc1cc(NC[C@@H](C(=O)[O-])C2CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000595977503 479087707 /nfs/dbraw/zinc/08/77/07/479087707.db2.gz LGSVFMNNYXHXNU-CQSZACIVSA-N -1 3 329.356 2.786 10 5 EFBEHM CCc1ccc(CN2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)s1 ZINC000596137852 479159415 /nfs/dbraw/zinc/15/94/15/479159415.db2.gz YEZUIFSXYWMYHY-UHFFFAOYSA-N -1 3 348.428 2.642 10 5 EFBEHM COCc1nc(Sc2cc(OC)c([N+](=O)[O-])cc2Cl)n[n-]1 ZINC000596162267 479173069 /nfs/dbraw/zinc/17/30/69/479173069.db2.gz ZZKPUHZDXPRHJW-UHFFFAOYSA-N -1 3 330.753 2.673 10 5 EFBEHM CC(=O)C(C)(C)CCC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1 ZINC000610941528 479238896 /nfs/dbraw/zinc/23/88/96/479238896.db2.gz GVHOIJAUEZLYAX-UHFFFAOYSA-N -1 3 344.371 2.741 10 5 EFBEHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c(C)c1 ZINC000593540767 479381857 /nfs/dbraw/zinc/38/18/57/479381857.db2.gz AWOMIYDQQWIYHW-ZDUSSCGKSA-N -1 3 349.412 2.516 10 5 EFBEHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)cc1 ZINC000593544611 479383352 /nfs/dbraw/zinc/38/33/52/479383352.db2.gz WGWGNRXBUODTOH-UHFFFAOYSA-N -1 3 349.412 2.554 10 5 EFBEHM COC(=O)c1cnc([N-]C(=O)c2csc([N+](=O)[O-])c2)c(Cl)c1 ZINC000575044415 479393869 /nfs/dbraw/zinc/39/38/69/479393869.db2.gz BHAXHFJQTOZYNF-UHFFFAOYSA-N -1 3 341.732 2.744 10 5 EFBEHM COc1ccc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)o1 ZINC000593955321 479519767 /nfs/dbraw/zinc/51/97/67/479519767.db2.gz QLMGRFUABHLHNA-UHFFFAOYSA-N -1 3 334.284 2.610 10 5 EFBEHM CSCCCC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120735748 525439185 /nfs/dbraw/zinc/43/91/85/525439185.db2.gz RADYXHWZULSQEE-UHFFFAOYSA-N -1 3 332.447 2.633 10 5 EFBEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(F)c1F ZINC000119042111 525509122 /nfs/dbraw/zinc/50/91/22/525509122.db2.gz BZTIUYFEAYNDQL-ZETCQYMHSA-N -1 3 348.352 2.974 10 5 EFBEHM Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3C)[n-]2)o1 ZINC000181887283 525852207 /nfs/dbraw/zinc/85/22/07/525852207.db2.gz PLUVBGDXYMPVSF-UHFFFAOYSA-N -1 3 327.300 2.842 10 5 EFBEHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3C)n2)o1 ZINC000181887283 525852220 /nfs/dbraw/zinc/85/22/20/525852220.db2.gz PLUVBGDXYMPVSF-UHFFFAOYSA-N -1 3 327.300 2.842 10 5 EFBEHM Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3C)n[n-]2)o1 ZINC000181887283 525852231 /nfs/dbraw/zinc/85/22/31/525852231.db2.gz PLUVBGDXYMPVSF-UHFFFAOYSA-N -1 3 327.300 2.842 10 5 EFBEHM Cc1sc(C(=O)[N-]c2nncn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000181118821 526875562 /nfs/dbraw/zinc/87/55/62/526875562.db2.gz DHFAAFZXOYDMAU-UHFFFAOYSA-N -1 3 329.341 2.798 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001128985621 1272547376 /nfs/dbraw/zinc/54/73/76/1272547376.db2.gz UDSPHXMJWMUSGQ-UHFFFAOYSA-N -1 3 337.748 2.844 10 5 EFBEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845973876 1279950172 /nfs/dbraw/zinc/95/01/72/1279950172.db2.gz FEMDFYRNUADWKL-VXGBXAGGSA-N -1 3 336.772 2.578 10 5 EFBEHM Cc1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])onc1C1CCCCC1 ZINC001129592951 1280279498 /nfs/dbraw/zinc/27/94/98/1280279498.db2.gz CQMQDKPFLJCVBH-UHFFFAOYSA-N -1 3 333.348 2.925 10 5 EFBEHM O=C([N-]c1nocc1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001133060599 1284709843 /nfs/dbraw/zinc/70/98/43/1284709843.db2.gz JBSGSJLNNBDLRP-UHFFFAOYSA-N -1 3 345.311 2.874 10 5 EFBEHM O=c1[n-]ccc(NCc2cccnc2OCC(F)(F)F)c1[N+](=O)[O-] ZINC001184811575 1290529927 /nfs/dbraw/zinc/52/99/27/1290529927.db2.gz MHLBULMFILRAIU-UHFFFAOYSA-N -1 3 344.249 2.644 10 5 EFBEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800144887 1293930496 /nfs/dbraw/zinc/93/04/96/1293930496.db2.gz JIRQRVSJQFZZQE-UHFFFAOYSA-N -1 3 334.263 2.906 10 5 EFBEHM C[C@@H](OC(=O)c1cc(F)cc2[n-]nnc21)c1cccc([N+](=O)[O-])c1 ZINC000800263570 1307637235 /nfs/dbraw/zinc/63/72/35/1307637235.db2.gz LWAZRJKLERIMDW-MRVPVSSYSA-N -1 3 330.275 2.923 10 5 EFBEHM C[C@@H](OC(=O)c1cc(F)cc2nn[n-]c21)c1cccc([N+](=O)[O-])c1 ZINC000800263570 1307637236 /nfs/dbraw/zinc/63/72/36/1307637236.db2.gz LWAZRJKLERIMDW-MRVPVSSYSA-N -1 3 330.275 2.923 10 5 EFBEHM C[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1cccc([N+](=O)[O-])c1 ZINC000800263570 1307637241 /nfs/dbraw/zinc/63/72/41/1307637241.db2.gz LWAZRJKLERIMDW-MRVPVSSYSA-N -1 3 330.275 2.923 10 5 EFBEHM Cc1cc(F)cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1[N+](=O)[O-] ZINC001159063966 1311443908 /nfs/dbraw/zinc/44/39/08/1311443908.db2.gz ZEAAWTLVFGXHCA-UHFFFAOYSA-N -1 3 330.275 2.877 10 5 EFBEHM Cc1cc(=O)[n-]c(CNc2c3cc(Cl)ccc3ncc2[N+](=O)[O-])n1 ZINC001163643244 1312352677 /nfs/dbraw/zinc/35/26/77/1312352677.db2.gz QOWBFBJBFRGWKD-UHFFFAOYSA-N -1 3 345.746 2.634 10 5 EFBEHM O=c1[n-]ccc(NCCc2ccnn2-c2ccccc2)c1[N+](=O)[O-] ZINC001164170102 1312460898 /nfs/dbraw/zinc/46/08/98/1312460898.db2.gz JVSZBTXEZPHHKX-UHFFFAOYSA-N -1 3 325.328 2.536 10 5 EFBEHM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(C2CCC2)n1 ZINC001296090790 1322850767 /nfs/dbraw/zinc/85/07/67/1322850767.db2.gz KMLVNDIXZLGEHC-UHFFFAOYSA-N -1 3 331.332 2.631 10 5 EFBEHM COc1c(F)nccc1[N-]C(=O)c1c(F)c(C)cc([N+](=O)[O-])c1F ZINC001304717770 1324660640 /nfs/dbraw/zinc/66/06/40/1324660640.db2.gz IQTFOUGFIPPEKT-UHFFFAOYSA-N -1 3 341.245 2.976 10 5 EFBEHM COC(=O)/C=C/c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)o1 ZINC001355005474 1334646262 /nfs/dbraw/zinc/64/62/62/1334646262.db2.gz WXFHZDQXGSAGMG-QPJJXVBHSA-N -1 3 334.259 2.765 10 5 EFBEHM Cc1[n-][nH]c(=O)c1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458190224 1395422574 /nfs/dbraw/zinc/42/25/74/1395422574.db2.gz HZTHTJIYRINCGV-MRVPVSSYSA-N -1 3 330.266 2.538 10 5 EFBEHM Cc1[n-][nH]c(=O)c1CCNc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC001458190225 1395422699 /nfs/dbraw/zinc/42/26/99/1395422699.db2.gz HZTHTJIYRINCGV-QMMMGPOBSA-N -1 3 330.266 2.538 10 5 EFBEHM Cc1c(C(=O)[N-]c2ccnc(F)c2F)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001461690831 1396399777 /nfs/dbraw/zinc/39/97/77/1396399777.db2.gz DAWJFDHPRIYNRC-UHFFFAOYSA-N -1 3 338.226 2.737 10 5 EFBEHM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001462925504 1396461715 /nfs/dbraw/zinc/46/17/15/1396461715.db2.gz QTPRZYYPNSSNEE-UHFFFAOYSA-N -1 3 327.300 2.842 10 5 EFBEHM CSc1nc(NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n[n-]1 ZINC001464604262 1396589183 /nfs/dbraw/zinc/58/91/83/1396589183.db2.gz LKLSVNPRYLWSPE-UHFFFAOYSA-N -1 3 341.780 2.660 10 5 EFBEHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CC[C@H]2CCCCN21 ZINC001546162718 1396856389 /nfs/dbraw/zinc/85/63/89/1396856389.db2.gz UTYWJVRRVSOPCC-PWSUYJOCSA-N -1 3 339.779 2.909 10 5 EFBEHM COc1cccc(SC)c1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001557065958 1415103654 /nfs/dbraw/zinc/10/36/54/1415103654.db2.gz BQFNJSBELJTZMX-UHFFFAOYSA-N -1 3 335.341 2.678 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)n1 ZINC001559301287 1415238221 /nfs/dbraw/zinc/23/82/21/1415238221.db2.gz SHNZRASZJBECGD-HAQNSBGRSA-N -1 3 329.360 2.932 10 5 EFBEHM O=C(Nc1ccc([O-])cc1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001566760430 1415766659 /nfs/dbraw/zinc/76/66/59/1415766659.db2.gz INCSMEGVHCVXQA-UHFFFAOYSA-N -1 3 348.286 2.853 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]c2nc3cc[nH]cc-3n2)c1F ZINC001567204330 1415995019 /nfs/dbraw/zinc/99/50/19/1415995019.db2.gz KDXALEBIDBEGEG-UHFFFAOYSA-N -1 3 333.254 2.705 10 5 EFBEHM CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000866884338 719677954 /nfs/dbraw/zinc/67/79/54/719677954.db2.gz FORFMUHMFNNASQ-BDAKNGLRSA-N -1 3 336.460 2.527 10 5 EFBEHM O=[N+]([O-])c1ccc([N-]c2cnn(-c3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000727112430 723819815 /nfs/dbraw/zinc/81/98/15/723819815.db2.gz JLYCWCWUYTZOQU-UHFFFAOYSA-N -1 3 326.272 2.827 10 5 EFBEHM C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001651187278 1093536120 /nfs/dbraw/zinc/53/61/20/1093536120.db2.gz RMBFOGFMJQSEOT-QWRGUYRKSA-N -1 3 330.344 2.771 10 5 EFBEHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1[N+](=O)[O-] ZINC001630757105 1100336657 /nfs/dbraw/zinc/33/66/57/1100336657.db2.gz ULPDRIPZUKYOAN-UHFFFAOYSA-N -1 3 346.343 2.834 10 5 EFBEHM Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1[N+](=O)[O-] ZINC001630757105 1100336666 /nfs/dbraw/zinc/33/66/66/1100336666.db2.gz ULPDRIPZUKYOAN-UHFFFAOYSA-N -1 3 346.343 2.834 10 5 EFBEHM O=C(Nc1c([O-])cccc1Cl)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001636560679 1100726381 /nfs/dbraw/zinc/72/63/81/1100726381.db2.gz MZGYCMWMIFMZIV-UHFFFAOYSA-N -1 3 336.687 2.935 10 5 EFBEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC001639605826 1100966137 /nfs/dbraw/zinc/96/61/37/1100966137.db2.gz AFLQLUIVRYAQSO-UHFFFAOYSA-N -1 3 344.371 2.681 10 5 EFBEHM O=c1[n-]ccc(N[C@H]2C[C@]3(CCOC3)Oc3ccccc32)c1[N+](=O)[O-] ZINC001643327179 1101290963 /nfs/dbraw/zinc/29/09/63/1101290963.db2.gz IMEZWOQRXUWBQD-GUYCJALGSA-N -1 3 343.339 2.790 10 5 EFBEHM O=c1cc([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[n-][nH]1 ZINC001652004057 1101417262 /nfs/dbraw/zinc/41/72/62/1101417262.db2.gz FEISGPHMJNTXFE-SNVBAGLBSA-N -1 3 325.328 2.566 10 5 EFBEHM O=c1[n-]ccc(NC[C@@H](O)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC001655537026 1101842110 /nfs/dbraw/zinc/84/21/10/1101842110.db2.gz FMPLBFVMDCZMJG-LLVKDONJSA-N -1 3 343.261 2.860 10 5 EFBEHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1nnc(-c3ccccc3[O-])o1)C2 ZINC001657460746 1102384479 /nfs/dbraw/zinc/38/44/79/1102384479.db2.gz WOFZHFIAIGQRHX-UHFFFAOYSA-N -1 3 338.323 2.866 10 5 EFBEHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1csc([N+](=O)[O-])c1 ZINC001271963266 1103261500 /nfs/dbraw/zinc/26/15/00/1103261500.db2.gz SVUFTFCNAMYSPU-UHFFFAOYSA-N -1 3 349.412 2.566 10 5 EFBEHM O=[N+]([O-])c1c([N-]c2cccnc2)ncnc1-n1cnc2ccccc21 ZINC000040628632 213361835 /nfs/dbraw/zinc/36/18/35/213361835.db2.gz ZHKNYXHBQMTEQS-UHFFFAOYSA-N -1 3 333.311 2.862 10 5 EFBEHM O=[N+]([O-])c1cccc([N-]c2ncnc(N3CCCC3)c2[N+](=O)[O-])c1 ZINC000040609086 213357936 /nfs/dbraw/zinc/35/79/36/213357936.db2.gz AMBWPIFUSYSJBJ-UHFFFAOYSA-N -1 3 330.304 2.637 10 5 EFBEHM Nc1ccc(Cl)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000038033745 213193932 /nfs/dbraw/zinc/19/39/32/213193932.db2.gz LCKWEHJBBMASIV-UHFFFAOYSA-N -1 3 327.749 2.631 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(F)ccc2OC(F)F)n1 ZINC000191669871 240000514 /nfs/dbraw/zinc/00/05/14/240000514.db2.gz KXJAQXHALFELBT-UHFFFAOYSA-N -1 3 344.249 2.804 10 5 EFBEHM CCCc1[nH]nc(C(=O)[N-]c2nc(C(F)(F)F)cs2)c1[N+](=O)[O-] ZINC000266591754 248374777 /nfs/dbraw/zinc/37/47/77/248374777.db2.gz QZCVAMWKICCPAK-UHFFFAOYSA-N -1 3 349.294 2.998 10 5 EFBEHM CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000449758336 251144339 /nfs/dbraw/zinc/14/43/39/251144339.db2.gz GATUZGYUQBWBGY-UHFFFAOYSA-N -1 3 347.337 2.759 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C(F)F ZINC000451084337 251439100 /nfs/dbraw/zinc/43/91/00/251439100.db2.gz QVIQNJCAHLSQMM-SECBINFHSA-N -1 3 342.751 2.879 10 5 EFBEHM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000342080815 145058940 /nfs/dbraw/zinc/05/89/40/145058940.db2.gz BOKHOYFCZUGJHU-UHFFFAOYSA-N -1 3 332.428 2.931 10 5 EFBEHM Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000353003178 146372102 /nfs/dbraw/zinc/37/21/02/146372102.db2.gz KSQLAHKAGJWGSI-GFCCVEGCSA-N -1 3 338.410 2.931 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000355953029 147107154 /nfs/dbraw/zinc/10/71/54/147107154.db2.gz IRYVDSNAVOTCJC-UHFFFAOYSA-N -1 3 342.417 2.851 10 5 EFBEHM COc1c(C(=O)[N-]c2ncn(C3CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000356712355 147315746 /nfs/dbraw/zinc/31/57/46/147315746.db2.gz NMOXLFMJZYWFQB-UHFFFAOYSA-N -1 3 345.359 2.952 10 5 EFBEHM COc1ccc([N-]C(=O)c2cc(-c3cccnc3)on2)cc1[N+](=O)[O-] ZINC000359990109 148243798 /nfs/dbraw/zinc/24/37/98/148243798.db2.gz CETQUQSWMNKEHG-UHFFFAOYSA-N -1 3 340.295 2.906 10 5 EFBEHM O=C([O-])[C@@]1(NCc2ccc([N+](=O)[O-])cc2)CCc2c1cccc2F ZINC000340675655 280071969 /nfs/dbraw/zinc/07/19/69/280071969.db2.gz HDRYEZPGWWPPPX-QGZVFWFLSA-N -1 3 330.315 2.750 10 5 EFBEHM CSCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000128851562 293116877 /nfs/dbraw/zinc/11/68/77/293116877.db2.gz UEMSXMHMEVUMOK-UHFFFAOYSA-N -1 3 338.838 2.670 10 5 EFBEHM Cc1nn(Cc2nc(=O)c3c4c(sc3[n-]2)CCCC4)cc1[N+](=O)[O-] ZINC000295428287 295318985 /nfs/dbraw/zinc/31/89/85/295318985.db2.gz USBNKEGVPQLVNI-UHFFFAOYSA-N -1 3 345.384 2.737 10 5 EFBEHM CN(C)CCN(Cc1ccsc1)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000458215582 313084776 /nfs/dbraw/zinc/08/47/76/313084776.db2.gz FAJJCNWRMANNTA-UHFFFAOYSA-N -1 3 349.412 2.566 10 5 EFBEHM CC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000487827835 313431021 /nfs/dbraw/zinc/43/10/21/313431021.db2.gz ZUZHGDGYEGDWSQ-OAHLLOKOSA-N -1 3 344.371 2.517 10 5 EFBEHM CCCN(CCC)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OCC ZINC000522558125 316093419 /nfs/dbraw/zinc/09/34/19/316093419.db2.gz WMROGZHBBSDERK-UHFFFAOYSA-N -1 3 345.421 2.772 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])c3ccccc23)n1 ZINC000565928447 319014568 /nfs/dbraw/zinc/01/45/68/319014568.db2.gz ZQIVXELQALTIIO-UHFFFAOYSA-N -1 3 326.312 2.922 10 5 EFBEHM CCCN(CCN1CCCC1)c1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000575126588 319927430 /nfs/dbraw/zinc/92/74/30/319927430.db2.gz JPSZYNMDFPFWLC-UHFFFAOYSA-N -1 3 335.404 2.914 10 5 EFBEHM CCc1ccc(S(=O)(=O)[N-][C@@H](CC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000577865226 320152312 /nfs/dbraw/zinc/15/23/12/320152312.db2.gz NZMUKPTXBVFAFP-NSHDSACASA-N -1 3 340.323 2.776 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)c(C(F)(F)F)s2)n1 ZINC000578718369 320231511 /nfs/dbraw/zinc/23/15/11/320231511.db2.gz PWEKVPVTZBPNGD-UHFFFAOYSA-N -1 3 349.294 2.847 10 5 EFBEHM CC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1Cl ZINC000182801387 323302560 /nfs/dbraw/zinc/30/25/60/323302560.db2.gz YRIUKWGEUPTVDS-UHFFFAOYSA-N -1 3 335.703 2.804 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(s2)CCCCC3)n1 ZINC000191490183 323467188 /nfs/dbraw/zinc/46/71/88/323467188.db2.gz CQIRLIAOSCZZAB-UHFFFAOYSA-N -1 3 335.389 2.789 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000111358508 473209991 /nfs/dbraw/zinc/20/99/91/473209991.db2.gz UQEYUZDAPIEDDY-UONOGXRCSA-N -1 3 332.381 2.677 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000190456326 473280276 /nfs/dbraw/zinc/28/02/76/473280276.db2.gz KHGPCBHPTMDYAX-UHFFFAOYSA-N -1 3 332.381 2.951 10 5 EFBEHM CSc1ccc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000033933167 471988023 /nfs/dbraw/zinc/98/80/23/471988023.db2.gz XMHXNDPMPJHEAE-UHFFFAOYSA-N -1 3 338.410 2.795 10 5 EFBEHM COC(=O)c1ccsc1[N-]C(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000067751830 472083747 /nfs/dbraw/zinc/08/37/47/472083747.db2.gz IETQFVSPBODXHA-UHFFFAOYSA-N -1 3 336.325 2.704 10 5 EFBEHM COC(=O)c1c(C)nc(=O)[n-]c1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069450658 472345816 /nfs/dbraw/zinc/34/58/16/472345816.db2.gz CBKCTQINEFQLFK-VIFPVBQESA-N -1 3 349.368 2.626 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000046760504 472596365 /nfs/dbraw/zinc/59/63/65/472596365.db2.gz ZTHVMPNKBCMLAI-NQBHXWOUSA-N -1 3 342.417 2.706 10 5 EFBEHM CCOc1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1[N+](=O)[O-] ZINC000156216631 472678346 /nfs/dbraw/zinc/67/83/46/472678346.db2.gz BYHVLACVBRNTSS-UHFFFAOYSA-N -1 3 334.303 2.768 10 5 EFBEHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000104753522 472690039 /nfs/dbraw/zinc/69/00/39/472690039.db2.gz STTHRQWSWNEZLJ-GFCCVEGCSA-N -1 3 338.410 2.931 10 5 EFBEHM CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000177794491 473436785 /nfs/dbraw/zinc/43/67/85/473436785.db2.gz QLCPPVJUTWXHMY-CYBMUJFWSA-N -1 3 325.328 2.747 10 5 EFBEHM CC(C)Cn1ccnc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000171010504 473665655 /nfs/dbraw/zinc/66/56/55/473665655.db2.gz SACVEOVXRNRYPI-UHFFFAOYSA-N -1 3 328.332 2.576 10 5 EFBEHM CC(=O)c1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000188018482 473956034 /nfs/dbraw/zinc/95/60/34/473956034.db2.gz ZPQYNTQUZOWCON-UHFFFAOYSA-N -1 3 335.703 2.804 10 5 EFBEHM CC1(C)Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)c([O-])c2O1 ZINC000609146964 480118808 /nfs/dbraw/zinc/11/88/08/480118808.db2.gz MNWXMFQFUDHSAA-UHFFFAOYSA-N -1 3 342.351 2.944 10 5 EFBEHM Cc1ncc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C2CC2)n1 ZINC000339197168 475028881 /nfs/dbraw/zinc/02/88/81/475028881.db2.gz DCMHCJATBZSYEJ-UHFFFAOYSA-N -1 3 338.327 2.699 10 5 EFBEHM CN(C)[C@@H]1CCOc2c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cccc21 ZINC000345528030 475241703 /nfs/dbraw/zinc/24/17/03/475241703.db2.gz USGDWVBYACJHMY-CYBMUJFWSA-N -1 3 330.344 2.560 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C(C)C)C(F)(F)F ZINC000345650484 475336395 /nfs/dbraw/zinc/33/63/95/475336395.db2.gz WTEOYOURVAHHCK-LLVKDONJSA-N -1 3 340.323 2.768 10 5 EFBEHM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ncccc1[O-] ZINC000352511813 475366434 /nfs/dbraw/zinc/36/64/34/475366434.db2.gz ZTGWHEVMLGEMJL-CYBMUJFWSA-N -1 3 329.356 2.581 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000358423579 475666100 /nfs/dbraw/zinc/66/61/00/475666100.db2.gz DHOKRZOLEGOGGU-UHFFFAOYSA-N -1 3 338.385 2.797 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc3cc(Cl)ccc3s2)n1 ZINC000355375852 475881167 /nfs/dbraw/zinc/88/11/67/475881167.db2.gz ZMPLEHVOHMFFCR-UHFFFAOYSA-N -1 3 337.748 2.844 10 5 EFBEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000346990485 476014979 /nfs/dbraw/zinc/01/49/79/476014979.db2.gz NHEUZNFOJQGVAV-VIFPVBQESA-N -1 3 342.398 2.704 10 5 EFBEHM Cc1nnc([N-]C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)s1 ZINC000358946141 476060876 /nfs/dbraw/zinc/06/08/76/476060876.db2.gz DWSGCMPITGZHMF-UHFFFAOYSA-N -1 3 330.272 2.608 10 5 EFBEHM Cc1ccnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)n1 ZINC000344314052 476242386 /nfs/dbraw/zinc/24/23/86/476242386.db2.gz YKBBHNLINQINTM-UHFFFAOYSA-N -1 3 326.234 2.964 10 5 EFBEHM O=C(c1n[n-]c2ccc([N+](=O)[O-])cc21)N1CCc2c1c(F)ccc2F ZINC000354094222 476421223 /nfs/dbraw/zinc/42/12/23/476421223.db2.gz TZDOMYINWZLPNC-UHFFFAOYSA-N -1 3 344.277 2.952 10 5 EFBEHM O=C([N-]c1ccncc1F)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000448343819 477163430 /nfs/dbraw/zinc/16/34/30/477163430.db2.gz WWMBCITZLRBHSM-UHFFFAOYSA-N -1 3 329.209 2.822 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c1C ZINC000416500631 477188459 /nfs/dbraw/zinc/18/84/59/477188459.db2.gz HXMPBMLIKFSILN-UHFFFAOYSA-N -1 3 348.371 2.925 10 5 EFBEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000376397792 477314843 /nfs/dbraw/zinc/31/48/43/477314843.db2.gz KMDCKUIJGNHPCL-UHFFFAOYSA-N -1 3 344.356 2.706 10 5 EFBEHM Cc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])c1[N+](=O)[O-] ZINC000436510711 477498517 /nfs/dbraw/zinc/49/85/17/477498517.db2.gz HTMLVESCVYDRDY-UHFFFAOYSA-N -1 3 332.360 2.892 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([O-])cc2OC(C)C)n1 ZINC000436951473 477645830 /nfs/dbraw/zinc/64/58/30/477645830.db2.gz SDIRZTUVHMUNDN-UHFFFAOYSA-N -1 3 334.332 2.556 10 5 EFBEHM Cc1cc(C)c(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000451034041 477797751 /nfs/dbraw/zinc/79/77/51/477797751.db2.gz VWAWFJQFKKQETI-UHFFFAOYSA-N -1 3 340.323 2.831 10 5 EFBEHM O=C(Nc1cccc(C2CCOCC2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600836827 478539941 /nfs/dbraw/zinc/53/99/41/478539941.db2.gz CRZDBSONHKNYEX-UHFFFAOYSA-N -1 3 343.339 2.842 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)cc1C ZINC000594795347 478543246 /nfs/dbraw/zinc/54/32/46/478543246.db2.gz KWQKLPIPJAUOQG-CYBMUJFWSA-N -1 3 349.412 2.689 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c1[N+](=O)[O-] ZINC000594857665 478563003 /nfs/dbraw/zinc/56/30/03/478563003.db2.gz NMPKVIMMZZEJKN-ZDUSSCGKSA-N -1 3 348.371 2.925 10 5 EFBEHM CN1CCC(n2cc([N-]c3ncc(Cl)cc3[N+](=O)[O-])cn2)CC1 ZINC000601225706 478733814 /nfs/dbraw/zinc/73/38/14/478733814.db2.gz ILFZVXZNOSIEGK-UHFFFAOYSA-N -1 3 336.783 2.850 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C(C)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000595360862 478747617 /nfs/dbraw/zinc/74/76/17/478747617.db2.gz NQOVSLJFTKMJCY-UHFFFAOYSA-N -1 3 330.431 2.822 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c([N+](=O)[O-])s1 ZINC000601370710 478807720 /nfs/dbraw/zinc/80/77/20/478807720.db2.gz VZMCUATVQBYVQB-LLVKDONJSA-N -1 3 336.460 2.529 10 5 EFBEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000592949476 479106175 /nfs/dbraw/zinc/10/61/75/479106175.db2.gz DESWIPPNWOFMJK-UHFFFAOYSA-N -1 3 327.344 2.905 10 5 EFBEHM COc1ccccc1N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596101013 479137676 /nfs/dbraw/zinc/13/76/76/479137676.db2.gz HFUCUDYQVRQYAR-UHFFFAOYSA-N -1 3 344.371 2.785 10 5 EFBEHM CCO[C@@H](C)c1nc(CN(C)c2cc[n-]c(=O)c2[N+](=O)[O-])cs1 ZINC000596139017 479159236 /nfs/dbraw/zinc/15/92/36/479159236.db2.gz QTIYOACDJVCAQB-VIFPVBQESA-N -1 3 338.389 2.886 10 5 EFBEHM Cc1cc([C@@H]2CN(c3cc[n-]c(=O)c3[N+](=O)[O-])CCO2)ccc1F ZINC000596176191 479181639 /nfs/dbraw/zinc/18/16/39/479181639.db2.gz ALPQUSJFDBLVIV-AWEZNQCLSA-N -1 3 333.319 2.721 10 5 EFBEHM C[C@@H]1CC(=O)N(C)c2ccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])cc21 ZINC000599181562 479198609 /nfs/dbraw/zinc/19/86/09/479198609.db2.gz FACPDGUWXAXPHT-SECBINFHSA-N -1 3 328.328 2.909 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@]2(C)C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000599482449 479310091 /nfs/dbraw/zinc/31/00/91/479310091.db2.gz UVGOWAFVRYHMST-DDFAGTSDSA-N -1 3 330.431 2.679 10 5 EFBEHM CC(C)(C)OC(=O)[C@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC000596583344 479347818 /nfs/dbraw/zinc/34/78/18/479347818.db2.gz KZPOIZXGNLUXNQ-LLVKDONJSA-N -1 3 337.376 2.865 10 5 EFBEHM Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000593536515 479379858 /nfs/dbraw/zinc/37/98/58/479379858.db2.gz SXJFFGAQHVGKHL-UHFFFAOYSA-N -1 3 349.412 2.554 10 5 EFBEHM Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593540510 479382261 /nfs/dbraw/zinc/38/22/61/479382261.db2.gz ZBRHJPMEQFTTPZ-UHFFFAOYSA-N -1 3 349.412 2.554 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)nc1 ZINC000593545121 479383373 /nfs/dbraw/zinc/38/33/73/479383373.db2.gz UHOOJWPWGHXAPI-MRXNPFEDSA-N -1 3 347.396 2.810 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000593546637 479384638 /nfs/dbraw/zinc/38/46/38/479384638.db2.gz ICGSGPHRACKASG-UHFFFAOYSA-N -1 3 349.412 2.537 10 5 EFBEHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-][C@H]2CCCC2(F)F)s1 ZINC000588040150 479386442 /nfs/dbraw/zinc/38/64/42/479386442.db2.gz OWEYEKPMZUGMFZ-ZETCQYMHSA-N -1 3 326.346 2.660 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)nc1 ZINC000593558448 479387213 /nfs/dbraw/zinc/38/72/13/479387213.db2.gz YFBXPBPBKRWHQF-HNNXBMFYSA-N -1 3 347.396 2.810 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCC2)nc1 ZINC000593613383 479401814 /nfs/dbraw/zinc/40/18/14/479401814.db2.gz SWJRSIONRRYKER-HNNXBMFYSA-N -1 3 339.417 2.627 10 5 EFBEHM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2cc(F)ccc21 ZINC000593899097 479501940 /nfs/dbraw/zinc/50/19/40/479501940.db2.gz YVYDOKIOGQJFDP-UHFFFAOYSA-N -1 3 331.303 2.773 10 5 EFBEHM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C(C)(C)C ZINC000590066923 479599929 /nfs/dbraw/zinc/59/99/29/479599929.db2.gz DMWLZKKQXDMSGM-UHFFFAOYSA-N -1 3 330.406 2.706 10 5 EFBEHM CC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000590440017 479647304 /nfs/dbraw/zinc/64/73/04/479647304.db2.gz BEFYCZHHYVHOHW-CYBMUJFWSA-N -1 3 342.355 2.849 10 5 EFBEHM COc1cc(OCC(=O)[N-]c2cc(C(C)C)no2)ccc1[N+](=O)[O-] ZINC000619460529 479799248 /nfs/dbraw/zinc/79/92/48/479799248.db2.gz TYMGXWROPMUSBN-UHFFFAOYSA-N -1 3 335.316 2.732 10 5 EFBEHM CCc1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Br)no1 ZINC000610075225 480234114 /nfs/dbraw/zinc/23/41/14/480234114.db2.gz HZQHAVVBKSFRQY-UHFFFAOYSA-N -1 3 340.133 2.582 10 5 EFBEHM COc1cccc(-c2nc(C(=O)[N-]c3cccc([N+](=O)[O-])c3)no2)c1 ZINC000349085992 537067241 /nfs/dbraw/zinc/06/72/41/537067241.db2.gz UGGAYJYLACXULI-UHFFFAOYSA-N -1 3 340.295 2.906 10 5 EFBEHM COc1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1[O-] ZINC000757423460 575839167 /nfs/dbraw/zinc/83/91/67/575839167.db2.gz DOPQTWRUZACEKS-UHFFFAOYSA-N -1 3 336.731 2.892 10 5 EFBEHM COC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1F ZINC000769618946 577375519 /nfs/dbraw/zinc/37/55/19/577375519.db2.gz MVZWAQFOKMYMSJ-UHFFFAOYSA-N -1 3 336.250 2.912 10 5 EFBEHM O=C([N-][C@H](CO)c1ccsc1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000771527729 581220549 /nfs/dbraw/zinc/22/05/49/581220549.db2.gz BBSLEYLPWBMHNG-GFCCVEGCSA-N -1 3 342.323 2.598 10 5 EFBEHM COc1cc(CN[C@@H]2c3ccccc3OC[C@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000922524263 1266198812 /nfs/dbraw/zinc/19/88/12/1266198812.db2.gz CQALJNFRXPVCBW-SJKOYZFVSA-N -1 3 348.330 2.870 10 5 EFBEHM Cc1nc([N-]C(=O)c2csc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC001129117401 1273852641 /nfs/dbraw/zinc/85/26/41/1273852641.db2.gz SRRRYXWUGFMEFG-UHFFFAOYSA-N -1 3 329.341 2.798 10 5 EFBEHM C[C@]1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845973875 1279949202 /nfs/dbraw/zinc/94/92/02/1279949202.db2.gz FEMDFYRNUADWKL-RYUDHWBXSA-N -1 3 336.772 2.578 10 5 EFBEHM C[C@]1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845973874 1279949297 /nfs/dbraw/zinc/94/92/97/1279949297.db2.gz FEMDFYRNUADWKL-NWDGAFQWSA-N -1 3 336.772 2.578 10 5 EFBEHM O=C(OCCn1ccc([N+](=O)[O-])n1)c1cc2cc(Cl)sc2[n-]1 ZINC000811395201 1284282682 /nfs/dbraw/zinc/28/26/82/1284282682.db2.gz ZCMVJAZFPQWICO-UHFFFAOYSA-N -1 3 340.748 2.845 10 5 EFBEHM CCOc1cc(C(=O)Nc2ccc(O)cc2[O-])c([N+](=O)[O-])cc1OC ZINC001176488287 1288000595 /nfs/dbraw/zinc/00/05/95/1288000595.db2.gz DRGATFOIXUJBQY-UHFFFAOYSA-N -1 3 348.311 2.666 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC001187746520 1291226584 /nfs/dbraw/zinc/22/65/84/1291226584.db2.gz AHWMYVUDSJYUKV-UHFFFAOYSA-N -1 3 343.387 2.788 10 5 EFBEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845973873 1296979332 /nfs/dbraw/zinc/97/93/32/1296979332.db2.gz FEMDFYRNUADWKL-NEPJUHHUSA-N -1 3 336.772 2.578 10 5 EFBEHM CC(C)(C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)CC(F)(F)F ZINC000851902069 1299456470 /nfs/dbraw/zinc/45/64/70/1299456470.db2.gz GPZPGZUKWIOKRW-UHFFFAOYSA-N -1 3 346.352 2.913 10 5 EFBEHM C[C@@](NC[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000901933358 1311211068 /nfs/dbraw/zinc/21/10/68/1311211068.db2.gz ABJWUNSRWJNONI-SKDRFNHKSA-N -1 3 333.171 2.678 10 5 EFBEHM O=[N+]([O-])c1c(NCCc2c(F)cc([O-])cc2F)nc2sccn21 ZINC001164211880 1312469533 /nfs/dbraw/zinc/46/95/33/1312469533.db2.gz GAXYBZYDJNXCSN-UHFFFAOYSA-N -1 3 340.311 2.942 10 5 EFBEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001289106131 1321799916 /nfs/dbraw/zinc/79/99/16/1321799916.db2.gz GKTZBQZUILCWRF-NWDGAFQWSA-N -1 3 339.311 2.715 10 5 EFBEHM O=c1[n-]ccc(NCCOc2cccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC001307086927 1324740796 /nfs/dbraw/zinc/74/07/96/1324740796.db2.gz LHNZTRYCMNLGMD-UHFFFAOYSA-N -1 3 344.249 2.600 10 5 EFBEHM O=c1[n-]ccc(NCc2cccc3c2OC(F)(F)O3)c1[N+](=O)[O-] ZINC001307174747 1324746597 /nfs/dbraw/zinc/74/65/97/1324746597.db2.gz QWUDOPMKWSRDBE-UHFFFAOYSA-N -1 3 325.227 2.629 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC(Nc3sccc3[N+](=O)[O-])CC2)n1 ZINC001307218855 1324751884 /nfs/dbraw/zinc/75/18/84/1324751884.db2.gz FQSZPUDGYPRVQC-UHFFFAOYSA-N -1 3 335.389 2.541 10 5 EFBEHM Cc1c(CSc2nc3c(cnn3C)c(=O)[n-]2)cccc1[N+](=O)[O-] ZINC001307371957 1324764253 /nfs/dbraw/zinc/76/42/53/1324764253.db2.gz KVLCYVJXRYHXPC-UHFFFAOYSA-N -1 3 331.357 2.578 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001349941805 1333016735 /nfs/dbraw/zinc/01/67/35/1333016735.db2.gz HTHTYUBUCNYYOS-UHFFFAOYSA-N -1 3 339.307 2.697 10 5 EFBEHM COc1ccc([N-]C(=O)c2coc(-c3cccnc3)n2)c([N+](=O)[O-])c1 ZINC001350451868 1333083775 /nfs/dbraw/zinc/08/37/75/1333083775.db2.gz XJLYGBCCGHJNAR-UHFFFAOYSA-N -1 3 340.295 2.906 10 5 EFBEHM COc1ccc([N-]C(=O)c2ncnc3ccsc32)c([N+](=O)[O-])c1 ZINC001352702066 1333673079 /nfs/dbraw/zinc/67/30/79/1333673079.db2.gz CSUUEAKLKKZJND-UHFFFAOYSA-N -1 3 330.325 2.860 10 5 EFBEHM O=C([N-][C@@H]1C[C@H]1c1ccco1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848594094 1334809252 /nfs/dbraw/zinc/80/92/52/1334809252.db2.gz YDSSQFXTTGCFOJ-VXGBXAGGSA-N -1 3 338.266 2.832 10 5 EFBEHM Cc1cc([N-]C(=O)c2c(Br)cccc2[N+](=O)[O-])no1 ZINC001358259384 1335368913 /nfs/dbraw/zinc/36/89/13/1335368913.db2.gz KLUGGNOPLMIMOA-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM O=c1[n-]ccc(NCCc2cccc(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC001458398808 1395459784 /nfs/dbraw/zinc/45/97/84/1395459784.db2.gz JDPDREABBZYGSE-UHFFFAOYSA-N -1 3 328.250 2.764 10 5 EFBEHM C[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)c1ccccc1[N+](=O)[O-] ZINC001459181917 1395747418 /nfs/dbraw/zinc/74/74/18/1395747418.db2.gz DOTZHJYPXPWXIE-QMMMGPOBSA-N -1 3 331.357 2.830 10 5 EFBEHM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H]1CC[C@H]2CCCCN21 ZINC001546162719 1396856413 /nfs/dbraw/zinc/85/64/13/1396856413.db2.gz UTYWJVRRVSOPCC-ZYHUDNBSSA-N -1 3 339.779 2.909 10 5 EFBEHM O=C(N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)c1csc([N+](=O)[O-])c1 ZINC001472288848 1397254903 /nfs/dbraw/zinc/25/49/03/1397254903.db2.gz RQRRJPDMVBCPTM-HOMQSWHASA-N -1 3 348.384 2.608 10 5 EFBEHM CC[C@H](C)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001559026489 1415218894 /nfs/dbraw/zinc/21/88/94/1415218894.db2.gz MRGPMHMROHRMDB-VIFPVBQESA-N -1 3 332.316 2.520 10 5 EFBEHM C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nc(C(F)(F)F)n[n-]1 ZINC001559288953 1415237265 /nfs/dbraw/zinc/23/72/65/1415237265.db2.gz AGEXUMFWHCUFNQ-YFKPBYRVSA-N -1 3 341.253 2.781 10 5 EFBEHM CN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C1 ZINC001559967877 1415259747 /nfs/dbraw/zinc/25/97/47/1415259747.db2.gz NNBKVMZNUQRYAG-KRWDZBQOSA-N -1 3 341.411 2.659 10 5 EFBEHM CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC001565584086 1415405265 /nfs/dbraw/zinc/40/52/65/1415405265.db2.gz JTTFCZXWDPXMGP-UHFFFAOYSA-N -1 3 335.404 2.637 10 5 EFBEHM Cc1cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)cc(Cl)n2n1 ZINC001586680974 1092751187 /nfs/dbraw/zinc/75/11/87/1092751187.db2.gz DFTHDTDTCSGKFX-UHFFFAOYSA-N -1 3 337.748 2.913 10 5 EFBEHM O=C(Oc1cnn(-c2ccccc2)c1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001587405257 1092810997 /nfs/dbraw/zinc/81/09/97/1092810997.db2.gz MLEWCGDJLQEGDE-UHFFFAOYSA-N -1 3 349.306 2.876 10 5 EFBEHM Cn1ncc([N+](=O)[O-])c1[N-]C(=O)c1sc2ncccc2c1Cl ZINC001269827780 1098465422 /nfs/dbraw/zinc/46/54/22/1098465422.db2.gz JHERIEOLFCMGOZ-UHFFFAOYSA-N -1 3 337.748 2.844 10 5 EFBEHM O=c1[n-]ccc(NC[C@@H](O)c2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC001611940090 1099038474 /nfs/dbraw/zinc/03/84/74/1099038474.db2.gz YGOLJJCFOIKING-OAHLLOKOSA-N -1 3 325.324 2.994 10 5 EFBEHM Cn1cc(-c2ccccc2CNc2cc[n-]c(=O)c2[N+](=O)[O-])cn1 ZINC001612215168 1099047984 /nfs/dbraw/zinc/04/79/84/1099047984.db2.gz DUCSTGAPZGDEEG-UHFFFAOYSA-N -1 3 325.328 2.708 10 5 EFBEHM Cc1nccnc1[N-]C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC001617790470 1099260745 /nfs/dbraw/zinc/26/07/45/1099260745.db2.gz WGIBXDBMYORVPQ-UHFFFAOYSA-N -1 3 343.162 2.770 10 5 EFBEHM CCc1cc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)no1 ZINC001617905106 1099266133 /nfs/dbraw/zinc/26/61/33/1099266133.db2.gz IZUWJPQVYDYULY-UHFFFAOYSA-N -1 3 333.300 2.559 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001624739755 1099725532 /nfs/dbraw/zinc/72/55/32/1099725532.db2.gz DLQXLADRTYBSLL-ZIAGYGMSSA-N -1 3 338.323 2.919 10 5 EFBEHM CC(C)c1nsc([N-]C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC001625534688 1099822792 /nfs/dbraw/zinc/82/27/92/1099822792.db2.gz LHVLPGUEKPAQAJ-UHFFFAOYSA-N -1 3 332.345 2.698 10 5 EFBEHM Cc1cc(OCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)ccc1[N+](=O)[O-] ZINC001628215178 1100077943 /nfs/dbraw/zinc/07/79/43/1100077943.db2.gz QTSSRCOQELXRSI-UHFFFAOYSA-N -1 3 342.311 2.503 10 5 EFBEHM COc1c(C)cc(Cl)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001633266818 1100532392 /nfs/dbraw/zinc/53/23/92/1100532392.db2.gz UWPVCLFPIXACHB-UHFFFAOYSA-N -1 3 337.719 2.918 10 5 EFBEHM CN(CCc1ccccc1[N+](=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC001635065388 1100643006 /nfs/dbraw/zinc/64/30/06/1100643006.db2.gz KVTBMDQNUNOLNC-UHFFFAOYSA-N -1 3 332.331 2.683 10 5 EFBEHM COC(=O)CSCc1cccc(Nc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001639433781 1100947529 /nfs/dbraw/zinc/94/75/29/1100947529.db2.gz FSXUBWAAUADFSD-UHFFFAOYSA-N -1 3 349.368 2.845 10 5 EFBEHM C[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001640085983 1101012111 /nfs/dbraw/zinc/01/21/11/1101012111.db2.gz BQSCEMRIJTZPEV-UWVGGRQHSA-N -1 3 348.334 2.910 10 5 EFBEHM CCN(C(=O)C[N-]c1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC001640411800 1101044414 /nfs/dbraw/zinc/04/44/14/1101044414.db2.gz FGGXZQNBDQDILR-UHFFFAOYSA-N -1 3 344.327 2.968 10 5 EFBEHM COC(=O)c1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)[n-]1 ZINC001641841034 1101169151 /nfs/dbraw/zinc/16/91/51/1101169151.db2.gz OFIKXLNNUJDPOT-UHFFFAOYSA-N -1 3 343.339 2.693 10 5 EFBEHM C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCC1 ZINC001654241254 1101696743 /nfs/dbraw/zinc/69/67/43/1101696743.db2.gz KPKQOHGRGFDJHP-SNVBAGLBSA-N -1 3 341.795 2.558 10 5 EFBEHM C[C@H](C1CC1)n1nccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000066661084 215065339 /nfs/dbraw/zinc/06/53/39/215065339.db2.gz VJJSODJXQWMUHB-SECBINFHSA-N -1 3 340.343 2.891 10 5 EFBEHM CCN(CC)c1ncnc([N-]c2cccc([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000040608060 213358209 /nfs/dbraw/zinc/35/82/09/213358209.db2.gz XPADLRGPHJJAMX-UHFFFAOYSA-N -1 3 332.320 2.883 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)CC1 ZINC000442781469 250117689 /nfs/dbraw/zinc/11/76/89/250117689.db2.gz IXUWDVACZVGFIW-RYUDHWBXSA-N -1 3 342.417 2.851 10 5 EFBEHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3ccc([N+](=O)[O-])cc3[n-]2)C1 ZINC000095083101 218274556 /nfs/dbraw/zinc/27/45/56/218274556.db2.gz XYYKRTQFXWKKAT-NSHDSACASA-N -1 3 348.359 2.859 10 5 EFBEHM CC(C)(C)OC(=O)N1CC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3[n-]2)C1 ZINC000095083101 218274559 /nfs/dbraw/zinc/27/45/59/218274559.db2.gz XYYKRTQFXWKKAT-NSHDSACASA-N -1 3 348.359 2.859 10 5 EFBEHM CC(C)CCc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc1 ZINC000456780171 255660361 /nfs/dbraw/zinc/66/03/61/255660361.db2.gz IWPVMAQAFRPKDW-UHFFFAOYSA-N -1 3 330.344 2.931 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCC2(F)CCC2)cc1C ZINC000344912768 142096328 /nfs/dbraw/zinc/09/63/28/142096328.db2.gz YQDIYQCCKVECRS-UHFFFAOYSA-N -1 3 330.381 2.772 10 5 EFBEHM Cc1ccc([C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000346293738 142184608 /nfs/dbraw/zinc/18/46/08/142184608.db2.gz YECVJRWLYYIMMH-KRWDZBQOSA-N -1 3 343.383 2.642 10 5 EFBEHM C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1[N+](=O)[O-] ZINC000342488308 145136829 /nfs/dbraw/zinc/13/68/29/145136829.db2.gz HQARQILBRMDHPU-LLVKDONJSA-N -1 3 337.335 2.927 10 5 EFBEHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000352889815 146341834 /nfs/dbraw/zinc/34/18/34/146341834.db2.gz IOYAPBLDXQRPRN-NSHDSACASA-N -1 3 338.385 2.796 10 5 EFBEHM CSc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1[N+](=O)[O-] ZINC000352994735 146369415 /nfs/dbraw/zinc/36/94/15/146369415.db2.gz UQTZMXWUBVNBKF-NSHDSACASA-N -1 3 348.384 2.566 10 5 EFBEHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccc2ccccc2n1 ZINC000359345497 148061658 /nfs/dbraw/zinc/06/16/58/148061658.db2.gz BCHCFBXNBOYZPL-UHFFFAOYSA-N -1 3 343.364 2.622 10 5 EFBEHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])c1 ZINC000408132957 152154655 /nfs/dbraw/zinc/15/46/55/152154655.db2.gz NACICHZBOUHQHG-CYBMUJFWSA-N -1 3 342.417 2.528 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000352133309 286384738 /nfs/dbraw/zinc/38/47/38/286384738.db2.gz FYSDPRUSLISRQU-SDDRHHMPSA-N -1 3 342.417 2.706 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COc3ccccc32)cc1C ZINC000194622682 265378691 /nfs/dbraw/zinc/37/86/91/265378691.db2.gz FGPSWUVDEXBUPP-ZDUSSCGKSA-N -1 3 348.380 2.624 10 5 EFBEHM O=C(Nc1n[nH]c2cc(F)ccc21)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000356846460 275001590 /nfs/dbraw/zinc/00/15/90/275001590.db2.gz ZBAIVTZZZMPDAC-UHFFFAOYSA-N -1 3 340.274 2.739 10 5 EFBEHM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(C)(C)C(F)(F)F ZINC000295201489 295281320 /nfs/dbraw/zinc/28/13/20/295281320.db2.gz NGEGZVWRIBPEFT-UHFFFAOYSA-N -1 3 326.296 2.522 10 5 EFBEHM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000295494200 295330260 /nfs/dbraw/zinc/33/02/60/295330260.db2.gz BBEGUBMBENGFHK-UHFFFAOYSA-N -1 3 328.390 2.605 10 5 EFBEHM CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1nccs1 ZINC000159981758 310693719 /nfs/dbraw/zinc/69/37/19/310693719.db2.gz SSHWTZXOQYTYOV-LLVKDONJSA-N -1 3 341.414 2.789 10 5 EFBEHM Cc1cc(C)cc(-c2cc(=NC(=O)c3ccc([N+](=O)[O-])cn3)[nH][n-]2)c1 ZINC000531635551 317294593 /nfs/dbraw/zinc/29/45/93/317294593.db2.gz GWUJDVILHSSOHF-UHFFFAOYSA-N -1 3 337.339 2.671 10 5 EFBEHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000111367856 473209686 /nfs/dbraw/zinc/20/96/86/473209686.db2.gz FZJUGSPJVSPYHS-OTYXRUKQSA-N -1 3 338.410 2.868 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)c1[N+](=O)[O-] ZINC000616422416 479903856 /nfs/dbraw/zinc/90/38/56/479903856.db2.gz ZHWAJQXYDGJNGY-CYBMUJFWSA-N -1 3 349.412 2.689 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000030494265 472334304 /nfs/dbraw/zinc/33/43/04/472334304.db2.gz ZTHVMPNKBCMLAI-GMXVVIOVSA-N -1 3 342.417 2.706 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000057011529 472373794 /nfs/dbraw/zinc/37/37/94/472373794.db2.gz QEYJFWGUGNTIME-NEPJUHHUSA-N -1 3 342.417 2.708 10 5 EFBEHM C[C@@H](O)c1ccccc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000097046331 472423532 /nfs/dbraw/zinc/42/35/32/472423532.db2.gz JSICLRSRQRIEPP-SECBINFHSA-N -1 3 326.312 2.777 10 5 EFBEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000077393374 472519841 /nfs/dbraw/zinc/51/98/41/472519841.db2.gz JCCHCFCWCNCTGQ-OAHLLOKOSA-N -1 3 348.380 2.624 10 5 EFBEHM Cc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000188645368 474152864 /nfs/dbraw/zinc/15/28/64/474152864.db2.gz VZKIYTINJZPHOX-ZDUSSCGKSA-N -1 3 348.380 2.705 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184521896 474537135 /nfs/dbraw/zinc/53/71/35/474537135.db2.gz UMDFRFKEWFMUEX-NSHDSACASA-N -1 3 341.414 2.622 10 5 EFBEHM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C3CCC3)n2)c1 ZINC000184589654 474557155 /nfs/dbraw/zinc/55/71/55/474557155.db2.gz TUJUZYKGBRLYBV-UHFFFAOYSA-N -1 3 333.373 2.955 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000255301957 474831581 /nfs/dbraw/zinc/83/15/81/474831581.db2.gz KXLDVUZYIODNHX-YVMONPNESA-N -1 3 348.380 2.595 10 5 EFBEHM CN1CC[C@@H](NCc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000339177125 475008507 /nfs/dbraw/zinc/00/85/07/475008507.db2.gz ZXBVGJGFVMPIIP-SJLPKXTDSA-N -1 3 327.384 2.835 10 5 EFBEHM Cc1cc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)no1 ZINC000341728780 475257232 /nfs/dbraw/zinc/25/72/32/475257232.db2.gz LFTTYXYWLBSFSX-UHFFFAOYSA-N -1 3 326.106 2.906 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncc(-c3ccccc3)s2)n1 ZINC000357955141 475289474 /nfs/dbraw/zinc/28/94/74/475289474.db2.gz NGDPAVHIRLMTQE-UHFFFAOYSA-N -1 3 329.341 2.704 10 5 EFBEHM Cc1ccccc1-c1cc(=NC(=O)c2cc([N+](=O)[O-])cnc2C)[nH][n-]1 ZINC000342155663 475565187 /nfs/dbraw/zinc/56/51/87/475565187.db2.gz BWFSACGSOXKSAC-UHFFFAOYSA-N -1 3 337.339 2.671 10 5 EFBEHM Cc1c(Cl)cc(S(=O)(=O)[N-]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000297128960 475623702 /nfs/dbraw/zinc/62/37/02/475623702.db2.gz QGUHBVNJLNATDN-UHFFFAOYSA-N -1 3 342.751 2.880 10 5 EFBEHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cnccc2Oc2ccccc2)n1 ZINC000355490393 475981037 /nfs/dbraw/zinc/98/10/37/475981037.db2.gz DAKWNBOBCYHBOE-UHFFFAOYSA-N -1 3 339.311 2.768 10 5 EFBEHM CC1(C)CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000360437618 476303198 /nfs/dbraw/zinc/30/31/98/476303198.db2.gz NGLHITUIGUUYME-UHFFFAOYSA-N -1 3 330.381 2.981 10 5 EFBEHM Cc1cc(CN(C)C)cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354523453 476705510 /nfs/dbraw/zinc/70/55/10/476705510.db2.gz UQXLHVWRDKUZCG-UHFFFAOYSA-N -1 3 329.356 2.923 10 5 EFBEHM Cn1cnc([N+](=O)[O-])c1-c1noc(-c2ccc3c(c2[O-])CCCC3)n1 ZINC000445579707 476751761 /nfs/dbraw/zinc/75/17/61/476751761.db2.gz PFHOUCZISDAMBU-UHFFFAOYSA-N -1 3 341.327 2.630 10 5 EFBEHM C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416366085 477146642 /nfs/dbraw/zinc/14/66/42/477146642.db2.gz BTAMOPNWOCOPAQ-YUMQZZPRSA-N -1 3 338.307 2.548 10 5 EFBEHM CCOC(=O)c1cc(C(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)on1 ZINC000448569234 477196375 /nfs/dbraw/zinc/19/63/75/477196375.db2.gz OSIHACYKRHEFST-UHFFFAOYSA-N -1 3 333.300 2.629 10 5 EFBEHM CC1(C)Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)c([O-])c2O1 ZINC000436681292 477556470 /nfs/dbraw/zinc/55/64/70/477556470.db2.gz MGKPEZLQGMNUIZ-UHFFFAOYSA-N -1 3 342.351 2.944 10 5 EFBEHM CC(C)(C)N1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC000425078188 477632108 /nfs/dbraw/zinc/63/21/08/477632108.db2.gz JZLWWKRPRCXJMY-UHFFFAOYSA-N -1 3 349.416 2.788 10 5 EFBEHM Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426645167 477731042 /nfs/dbraw/zinc/73/10/42/477731042.db2.gz ZGVZHOPBOZIQCU-MRXNPFEDSA-N -1 3 348.330 2.664 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594488181 478407450 /nfs/dbraw/zinc/40/74/50/478407450.db2.gz QBTCVNMJMIARGD-GXTWGEPZSA-N -1 3 342.417 2.529 10 5 EFBEHM COc1cc(CNCc2cccc(C)c2OC)c([N+](=O)[O-])cc1[O-] ZINC000594523014 478425517 /nfs/dbraw/zinc/42/55/17/478425517.db2.gz VBLKWFAUHRFYNX-UHFFFAOYSA-N -1 3 332.356 2.916 10 5 EFBEHM CC(C)Oc1nc([N-]c2cnn(C)c2C(F)F)ccc1[N+](=O)[O-] ZINC000594569938 478442702 /nfs/dbraw/zinc/44/27/02/478442702.db2.gz RIFCVNSTISPRPU-UHFFFAOYSA-N -1 3 327.291 2.614 10 5 EFBEHM CN1CC[C@H](Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000570970588 478492657 /nfs/dbraw/zinc/49/26/57/478492657.db2.gz XJVMNYBHKUIBFT-UONOGXRCSA-N -1 3 342.355 2.545 10 5 EFBEHM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594734251 478520724 /nfs/dbraw/zinc/52/07/24/478520724.db2.gz UMSLYCVNUZTSQQ-NEPJUHHUSA-N -1 3 346.305 2.722 10 5 EFBEHM C[C@H](CC(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)C(F)(F)F ZINC000600817742 478532529 /nfs/dbraw/zinc/53/25/29/478532529.db2.gz VILALJDSDBFJNJ-MRVPVSSYSA-N -1 3 342.277 2.934 10 5 EFBEHM CC1(C2([N-]S(=O)(=O)c3ccc4ncccc4c3[N+](=O)[O-])CC2)CC1 ZINC000594780435 478538252 /nfs/dbraw/zinc/53/82/52/478538252.db2.gz KEQCBHLWELQZSC-UHFFFAOYSA-N -1 3 347.396 2.754 10 5 EFBEHM Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](C)c2ccccn2)c1[N+](=O)[O-] ZINC000594793182 478542434 /nfs/dbraw/zinc/54/24/34/478542434.db2.gz AFABLXMMCBMWJS-ZDUSSCGKSA-N -1 3 349.412 2.689 10 5 EFBEHM CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000594812368 478548080 /nfs/dbraw/zinc/54/80/80/478548080.db2.gz CNCCBAUWAKHBNA-SNVBAGLBSA-N -1 3 330.406 2.706 10 5 EFBEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000594812998 478548517 /nfs/dbraw/zinc/54/85/17/478548517.db2.gz KXCDTPFZEZEYPU-JTQLQIEISA-N -1 3 330.406 2.706 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000594852579 478560005 /nfs/dbraw/zinc/56/00/05/478560005.db2.gz LQFOYSGQHBIDSC-VWYCJHECSA-N -1 3 330.431 2.679 10 5 EFBEHM CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCN(CC)C1 ZINC000598038634 478627110 /nfs/dbraw/zinc/62/71/10/478627110.db2.gz FOGRLDIICZTBAN-LLVKDONJSA-N -1 3 341.795 2.510 10 5 EFBEHM Cc1ccccc1C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000592066581 478762757 /nfs/dbraw/zinc/76/27/57/478762757.db2.gz DGCYLVGMOPHSAE-UHFFFAOYSA-N -1 3 338.410 2.932 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2CCC(F)CC2)c(F)c1 ZINC000592106154 478778879 /nfs/dbraw/zinc/77/88/79/478778879.db2.gz QMERMDYXHGQHHT-UHFFFAOYSA-N -1 3 334.344 2.541 10 5 EFBEHM CC[C@H]([N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000601460596 478844133 /nfs/dbraw/zinc/84/41/33/478844133.db2.gz JQCCXLMCWATAGB-QWRGUYRKSA-N -1 3 348.446 2.591 10 5 EFBEHM COc1ccc([N-]C(=O)c2sc3nccn3c2C)c([N+](=O)[O-])c1 ZINC000505362599 478865641 /nfs/dbraw/zinc/86/56/41/478865641.db2.gz QRZNSJGAHJWYLU-UHFFFAOYSA-N -1 3 332.341 2.873 10 5 EFBEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2cscn2)cc1C ZINC000583704553 478921111 /nfs/dbraw/zinc/92/11/11/478921111.db2.gz JZYBGVHDARYILV-SNVBAGLBSA-N -1 3 341.414 2.708 10 5 EFBEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)c1C ZINC000598623335 478932345 /nfs/dbraw/zinc/93/23/45/478932345.db2.gz WOISRQYIMOQRFW-SNVBAGLBSA-N -1 3 334.344 2.535 10 5 EFBEHM COc1cc(CNC[C@@H]2Cc3ccccc3CO2)c([N+](=O)[O-])cc1[O-] ZINC000598989551 479116532 /nfs/dbraw/zinc/11/65/32/479116532.db2.gz LRRFZLZTYDWSOQ-HNNXBMFYSA-N -1 3 344.367 2.540 10 5 EFBEHM CCOC(=O)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596091819 479134078 /nfs/dbraw/zinc/13/40/78/479134078.db2.gz DQABAYQGWXMJPD-CYBMUJFWSA-N -1 3 345.355 2.529 10 5 EFBEHM COc1cccc(N2CC[C@@H](CNc3cc[n-]c(=O)c3[N+](=O)[O-])C2)c1 ZINC000596105797 479141071 /nfs/dbraw/zinc/14/10/71/479141071.db2.gz YUKWIUDSLPMGEC-LBPRGKRZSA-N -1 3 344.371 2.642 10 5 EFBEHM O=c1[n-]ccc(N[C@@H]2CCN(c3c(F)cccc3F)C2)c1[N+](=O)[O-] ZINC000596164550 479174010 /nfs/dbraw/zinc/17/40/10/479174010.db2.gz NYVIQWCNCGIRAQ-SECBINFHSA-N -1 3 336.298 2.664 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000599362679 479270104 /nfs/dbraw/zinc/27/01/04/479270104.db2.gz KSJYIXRXEFGDTB-MXWKQRLJSA-N -1 3 330.431 2.679 10 5 EFBEHM Cc1sc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000599362680 479270939 /nfs/dbraw/zinc/27/09/39/479270939.db2.gz KSJYIXRXEFGDTB-OUAUKWLOSA-N -1 3 330.431 2.679 10 5 EFBEHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000599446877 479300465 /nfs/dbraw/zinc/30/04/65/479300465.db2.gz ZYRJJIIYUZRGQE-LBPRGKRZSA-N -1 3 340.401 2.628 10 5 EFBEHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c(F)c1 ZINC000599521977 479320790 /nfs/dbraw/zinc/32/07/90/479320790.db2.gz XEBPBGQELILTOY-SNVBAGLBSA-N -1 3 328.365 2.593 10 5 EFBEHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000593532588 479379103 /nfs/dbraw/zinc/37/91/03/479379103.db2.gz XWRYXLNGXFSAOC-HNNXBMFYSA-N -1 3 349.412 2.708 10 5 EFBEHM O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cccc([O-])c1 ZINC000589952845 479585654 /nfs/dbraw/zinc/58/56/54/479585654.db2.gz OEUGPXVRUCSEIE-UHFFFAOYSA-N -1 3 325.324 2.754 10 5 EFBEHM COC(=O)c1cc([N-]C(=O)c2onc3c2CCCC3)cc([N+](=O)[O-])c1 ZINC000597267682 479651574 /nfs/dbraw/zinc/65/15/74/479651574.db2.gz TXNAAJPIFWFMCW-UHFFFAOYSA-N -1 3 345.311 2.501 10 5 EFBEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1F ZINC000064242951 525576297 /nfs/dbraw/zinc/57/62/97/525576297.db2.gz JHWIHZAPRHQBIW-SSDOTTSWSA-N -1 3 348.352 2.974 10 5 EFBEHM CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162697933 528972332 /nfs/dbraw/zinc/97/23/32/528972332.db2.gz IAQIIBGCRMMMMS-QMMMGPOBSA-N -1 3 340.323 2.936 10 5 EFBEHM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000756694861 575777691 /nfs/dbraw/zinc/77/76/91/575777691.db2.gz VVPWYMWVUKWFMB-UHFFFAOYSA-N -1 3 339.695 2.625 10 5 EFBEHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000768843829 577308516 /nfs/dbraw/zinc/30/85/16/577308516.db2.gz NZJJTZDTGVDUKM-VIFPVBQESA-N -1 3 344.414 2.857 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])n[n-]1 ZINC000772503342 581331647 /nfs/dbraw/zinc/33/16/47/581331647.db2.gz VZPJZTSCOBHFCK-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])[n-]n1 ZINC000772503342 581331649 /nfs/dbraw/zinc/33/16/49/581331649.db2.gz VZPJZTSCOBHFCK-UHFFFAOYSA-N -1 3 346.734 2.624 10 5 EFBEHM COc1cc(CN[C@@H]2c3ccccc3OC[C@@H]2F)c([N+](=O)[O-])cc1[O-] ZINC000922524264 1266199848 /nfs/dbraw/zinc/19/98/48/1266199848.db2.gz CQALJNFRXPVCBW-YVEFUNNKSA-N -1 3 348.330 2.870 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCS[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000921716582 1261265499 /nfs/dbraw/zinc/26/54/99/1261265499.db2.gz XVLBNDWKLJOBBL-IONNQARKSA-N -1 3 336.460 2.527 10 5 EFBEHM COC(=O)c1ccc([N+](=O)[O-])c(CSCc2nc(C)cc(=O)[n-]2)c1 ZINC000844642799 1279162866 /nfs/dbraw/zinc/16/28/66/1279162866.db2.gz LKXVRHQODHPOCG-UHFFFAOYSA-N -1 3 349.368 2.619 10 5 EFBEHM CCOc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])c3ccncc23)on1 ZINC001131250814 1281674049 /nfs/dbraw/zinc/67/40/49/1281674049.db2.gz JFNMAJCCHZHWSI-UHFFFAOYSA-N -1 3 328.284 2.782 10 5 EFBEHM COc1cccc2c(C(=O)OCc3csc([N+](=O)[O-])c3)n[n-]c21 ZINC000808672373 1281855123 /nfs/dbraw/zinc/85/51/23/1281855123.db2.gz LJYCBNQWRIZWMA-UHFFFAOYSA-N -1 3 333.325 2.898 10 5 EFBEHM COc1cccc2c(C(=O)OCc3csc([N+](=O)[O-])c3)[n-]nc21 ZINC000808672373 1281855127 /nfs/dbraw/zinc/85/51/27/1281855127.db2.gz LJYCBNQWRIZWMA-UHFFFAOYSA-N -1 3 333.325 2.898 10 5 EFBEHM COc1cc(CO[N-]C(=O)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000809995516 1282729504 /nfs/dbraw/zinc/72/95/04/1282729504.db2.gz RDKNNCJLEUPPAV-UHFFFAOYSA-N -1 3 330.340 2.702 10 5 EFBEHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(=O)[n-]1 ZINC001133420553 1285387615 /nfs/dbraw/zinc/38/76/15/1285387615.db2.gz FPEFYEBETAUMCV-SNVBAGLBSA-N -1 3 344.371 2.517 10 5 EFBEHM Cc1c(CC(=O)[N-]OCCOc2ccccc2)cccc1[N+](=O)[O-] ZINC001180650159 1289595788 /nfs/dbraw/zinc/59/57/88/1289595788.db2.gz ZLDVOTSDEBABEN-UHFFFAOYSA-N -1 3 330.340 2.573 10 5 EFBEHM COc1ccc(Cl)cc1[C@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001186440871 1290953611 /nfs/dbraw/zinc/95/36/11/1290953611.db2.gz GWHXPEZDLFTJLE-LLVKDONJSA-N -1 3 339.735 2.503 10 5 EFBEHM COc1ccc(Cl)cc1[C@@H](O)CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001186440877 1290954100 /nfs/dbraw/zinc/95/41/00/1290954100.db2.gz GWHXPEZDLFTJLE-NSHDSACASA-N -1 3 339.735 2.503 10 5 EFBEHM COc1cc(N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC001186905020 1291046862 /nfs/dbraw/zinc/04/68/62/1291046862.db2.gz AECTYWSGCOASER-QMMMGPOBSA-N -1 3 338.751 2.679 10 5 EFBEHM C[C@@]1(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000853843975 1300304317 /nfs/dbraw/zinc/30/43/17/1300304317.db2.gz RTOLSNFWKTXPOO-NSHDSACASA-N -1 3 336.241 2.728 10 5 EFBEHM Cc1cc(S(=O)(=O)[N-]C(C)(C)[C@@H]2CCCCO2)c([N+](=O)[O-])s1 ZINC000867682235 1303907190 /nfs/dbraw/zinc/90/71/90/1303907190.db2.gz CWMQTJWQPQFNRI-NSHDSACASA-N -1 3 348.446 2.591 10 5 EFBEHM CC(C)c1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901891822 1311158740 /nfs/dbraw/zinc/15/87/40/1311158740.db2.gz QFRNYYGYENFYMM-ZDUSSCGKSA-N -1 3 338.429 2.968 10 5 EFBEHM O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001159063788 1311443648 /nfs/dbraw/zinc/44/36/48/1311443648.db2.gz VWVAYKQWOXTVES-UHFFFAOYSA-N -1 3 337.295 2.910 10 5 EFBEHM Cc1cc(=O)[n-]c(N2CCC[C@H](Nc3ccc([N+](=O)[O-])cc3F)C2)n1 ZINC001164131197 1312453687 /nfs/dbraw/zinc/45/36/87/1312453687.db2.gz KLGQDDOBZGQACC-NSHDSACASA-N -1 3 347.350 2.619 10 5 EFBEHM COc1ccc([N-]C(=O)c2csc(-c3ncc[nH]3)n2)c([N+](=O)[O-])c1 ZINC001264212101 1316601852 /nfs/dbraw/zinc/60/18/52/1316601852.db2.gz RALDMENDGPPAHC-UHFFFAOYSA-N -1 3 345.340 2.702 10 5 EFBEHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1cccc([N+](=O)[O-])c1 ZINC001319975875 1329047424 /nfs/dbraw/zinc/04/74/24/1329047424.db2.gz BKWMNLVHVVPALZ-UHFFFAOYSA-N -1 3 343.383 2.504 10 5 EFBEHM O=C(Nc1cnc2c(ccc(F)c2F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001306891972 1324729742 /nfs/dbraw/zinc/72/97/42/1324729742.db2.gz YOIMWNWJDDGVEN-UHFFFAOYSA-N -1 3 346.249 2.774 10 5 EFBEHM O=c1[n-]ccc(NCc2cccc(Cn3ccnc3)c2)c1[N+](=O)[O-] ZINC001306929286 1324732778 /nfs/dbraw/zinc/73/27/78/1324732778.db2.gz WILHZVNYOIKMIJ-UHFFFAOYSA-N -1 3 325.328 2.552 10 5 EFBEHM O=c1[n-]ccc(Sc2n[nH]c(Cc3ccccc3)n2)c1[N+](=O)[O-] ZINC001307101121 1324742171 /nfs/dbraw/zinc/74/21/71/1324742171.db2.gz NWYWSVPHGRAAOB-UHFFFAOYSA-N -1 3 329.341 2.556 10 5 EFBEHM O=c1[n-]c(C2CC2)nc2c1CN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC001308052581 1324791052 /nfs/dbraw/zinc/79/10/52/1324791052.db2.gz SDBDYVORKYGBHQ-UHFFFAOYSA-N -1 3 330.319 2.623 10 5 EFBEHM CN(C)c1cc(F)c(C(=O)[N-]c2ccnc(F)c2F)cc1[N+](=O)[O-] ZINC001437854965 1388143901 /nfs/dbraw/zinc/14/39/01/1388143901.db2.gz SQBRHUOGYVNBAY-UHFFFAOYSA-N -1 3 340.261 2.725 10 5 EFBEHM CC(C)Nc1ccc(F)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001465620473 1396697177 /nfs/dbraw/zinc/69/71/77/1396697177.db2.gz OETNQNAVOGHVIP-UHFFFAOYSA-N -1 3 334.307 2.907 10 5 EFBEHM CC(=O)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)cc1[O-] ZINC001465767480 1396710396 /nfs/dbraw/zinc/71/03/96/1396710396.db2.gz OOKSSWSACUTHNB-UHFFFAOYSA-N -1 3 340.335 2.702 10 5 EFBEHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc([N+](=O)[O-])c1 ZINC001472109130 1397249725 /nfs/dbraw/zinc/24/97/25/1397249725.db2.gz HSGFWFDWQQDHBB-ZETCQYMHSA-N -1 3 343.265 2.531 10 5 EFBEHM O=C(Nc1ccc(O)cc1[O-])c1ccc([N+](=O)[O-])c2cccnc12 ZINC001558156345 1415162493 /nfs/dbraw/zinc/16/24/93/1415162493.db2.gz ZXXQYYYABJZQDI-UHFFFAOYSA-N -1 3 325.280 2.807 10 5 EFBEHM CC[C@@H](C)Oc1cccc(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC001559026488 1415218763 /nfs/dbraw/zinc/21/87/63/1415218763.db2.gz MRGPMHMROHRMDB-SECBINFHSA-N -1 3 332.316 2.520 10 5 EFBEHM O=c1cc([C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)[n-][nH]1 ZINC001559227504 1415231860 /nfs/dbraw/zinc/23/18/60/1415231860.db2.gz RWOHQSJRXFTJLF-NSHDSACASA-N -1 3 325.328 2.566 10 5 EFBEHM CSc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC001567475490 1416152147 /nfs/dbraw/zinc/15/21/47/1416152147.db2.gz OEPWXMSPUDDLGX-UHFFFAOYSA-N -1 3 343.364 2.618 10 5 EFBEHM