smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1oc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(=O)[O-] ZINC000565103651 974569126 /nfs/dbraw/zinc/56/91/26/974569126.db2.gz NWTWSAGWWMTATM-UHFFFAOYSA-N 0 1 332.356 3.605 20 5 EHBDMN CC[N@@H+](CCC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000901605038 980402883 /nfs/dbraw/zinc/40/28/83/980402883.db2.gz KRPZYCIXXPYYOP-UHFFFAOYSA-N 0 1 334.397 3.620 20 5 EHBDMN O=C([O-])C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000902009226 980688019 /nfs/dbraw/zinc/68/80/19/980688019.db2.gz AXTASAZFSCHZNG-LBPRGKRZSA-N 0 1 346.408 3.762 20 5 EHBDMN CC[C@](C)(C(=O)[O-])[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC001594787670 981827014 /nfs/dbraw/zinc/82/70/14/981827014.db2.gz KIHXMCOAEKNMHR-MRXNPFEDSA-N 0 1 340.807 3.714 20 5 EHBDMN CCOc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000430195119 1014795374 /nfs/dbraw/zinc/79/53/74/1014795374.db2.gz NAKIVMDIRTZCLW-ZDUSSCGKSA-N 0 1 330.384 3.853 20 5 EHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001598501135 992435970 /nfs/dbraw/zinc/43/59/70/992435970.db2.gz FGCYLQDWIFLAIN-UHFFFAOYSA-N 0 1 348.786 3.621 20 5 EHBDMN CC1=C[C@H](C)CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000430282942 1015780415 /nfs/dbraw/zinc/78/04/15/1015780415.db2.gz GVQPOCQIIJDSIS-WCQYABFASA-N 0 1 328.372 3.604 20 5 EHBDMN CC1=C[C@@H](C)CN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000430282939 1015780434 /nfs/dbraw/zinc/78/04/34/1015780434.db2.gz GVQPOCQIIJDSIS-DGCLKSJQSA-N 0 1 328.372 3.604 20 5 EHBDMN CCN(CC)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000175730051 1016976870 /nfs/dbraw/zinc/97/68/70/1016976870.db2.gz GPPJGWVOZIVWPT-GOSISDBHSA-N 0 1 341.411 3.925 20 5 EHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCOc2ccc(F)cc21 ZINC000573219727 1032362374 /nfs/dbraw/zinc/36/23/74/1032362374.db2.gz LOPHAFCHTRRRNZ-HOTGVXAUSA-N 0 1 328.343 3.835 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000537029593 1032491430 /nfs/dbraw/zinc/49/14/30/1032491430.db2.gz DATXXZJJSLYHNA-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccccc1Cl ZINC000046317955 1032736804 /nfs/dbraw/zinc/73/68/04/1032736804.db2.gz STPRGCKGBNMGSS-VIFPVBQESA-N 0 1 344.758 3.616 20 5 EHBDMN Cc1ncc([N+](=O)[O-])n1CCN([C@H](C)c1ccccc1Cl)C1CC1 ZINC001167325505 1018067975 /nfs/dbraw/zinc/06/79/75/1018067975.db2.gz CGGSZXVYORIEAA-GFCCVEGCSA-N 0 1 348.834 3.979 20 5 EHBDMN CO[C@@]1(C)CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000480810422 1018407709 /nfs/dbraw/zinc/40/77/09/1018407709.db2.gz FJGVMEVSCLWIDW-SFHVURJKSA-N 0 1 329.400 3.847 20 5 EHBDMN CCOc1cc(CN2CCC3(CC3(F)F)CC2)ccc1[N+](=O)[O-] ZINC000593073356 1032769848 /nfs/dbraw/zinc/76/98/48/1032769848.db2.gz QVTAJJJTXROUAL-UHFFFAOYSA-N 0 1 326.343 3.615 20 5 EHBDMN Cc1cc(N2CCC[C@@H](OC(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593486567 1032785356 /nfs/dbraw/zinc/78/53/56/1032785356.db2.gz AOPCDLVGZDETQK-OAHLLOKOSA-N 0 1 329.400 3.845 20 5 EHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n[nH]1 ZINC000580270652 1018899612 /nfs/dbraw/zinc/89/96/12/1018899612.db2.gz UOTNOZVPEUSUFW-MNOVXSKESA-N 0 1 340.387 3.948 20 5 EHBDMN Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000433680562 1019503688 /nfs/dbraw/zinc/50/36/88/1019503688.db2.gz PWVIEAUQECTULX-CYBMUJFWSA-N 0 1 344.415 3.891 20 5 EHBDMN Cc1ccc([C@@H](C)N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000046358169 1032873653 /nfs/dbraw/zinc/87/36/53/1032873653.db2.gz FRAONKIIJOQFEQ-GFCCVEGCSA-N 0 1 338.367 3.613 20 5 EHBDMN CC[C@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000156828166 1020474542 /nfs/dbraw/zinc/47/45/42/1020474542.db2.gz AGTTUMXUGMGUMC-INIZCTEOSA-N 0 1 349.337 3.552 20 5 EHBDMN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000276102457 1020642008 /nfs/dbraw/zinc/64/20/08/1020642008.db2.gz KUAJJSUEXILXAS-UHFFFAOYSA-N 0 1 338.314 3.940 20 5 EHBDMN CC(C)(NC(=O)c1ccc(O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000436777573 1021207269 /nfs/dbraw/zinc/20/72/69/1021207269.db2.gz ZDORPYVQDDLTQT-UHFFFAOYSA-N 0 1 334.759 3.619 20 5 EHBDMN C[C@@H]1Oc2cc(F)ccc2[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000518606314 1021367984 /nfs/dbraw/zinc/36/79/84/1021367984.db2.gz JWACGEYOHVPWHR-YDTIJZNPSA-N 0 1 328.343 3.859 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2CNCCF)cc1 ZINC000437254720 1021678742 /nfs/dbraw/zinc/67/87/42/1021678742.db2.gz XCKBXNHIMLRXTP-UHFFFAOYSA-N 0 1 340.358 3.507 20 5 EHBDMN C[C@H](NCc1ccnc(OC2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000090911924 1021696313 /nfs/dbraw/zinc/69/63/13/1021696313.db2.gz YNKITYMTVLXKFN-ZDUSSCGKSA-N 0 1 327.384 3.772 20 5 EHBDMN CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc2cc3ccccc3cc21 ZINC001270531888 1021714944 /nfs/dbraw/zinc/71/49/44/1021714944.db2.gz UNIAHDPZAOVSNF-KDURUIRLSA-N 0 1 330.431 3.912 20 5 EHBDMN CC[C@]1(CO)CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602625562 1033018077 /nfs/dbraw/zinc/01/80/77/1033018077.db2.gz STADXSWOUYYPLC-HNNXBMFYSA-N 0 1 346.349 3.598 20 5 EHBDMN CN(CCc1ccccn1)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602608878 1033026749 /nfs/dbraw/zinc/02/67/49/1033026749.db2.gz YHDXCFIZQNTAOH-UHFFFAOYSA-N 0 1 339.317 3.683 20 5 EHBDMN CCc1ccc([C@H](N[C@@H]2CC[C@@H](OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471788849 1022206577 /nfs/dbraw/zinc/20/65/77/1022206577.db2.gz QSPZOHFOXBKDMY-LSBZLQRGSA-N 0 1 344.411 3.997 20 5 EHBDMN CC(C)[C@H]1N(Cc2ccc(Cl)cc2[N+](=O)[O-])CC12CCOCC2 ZINC000894921031 1022248795 /nfs/dbraw/zinc/24/87/95/1022248795.db2.gz VLJVRMAKDYWOFN-MRXNPFEDSA-N 0 1 338.835 3.885 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc2ccccc2[nH]1 ZINC000101596226 1022307969 /nfs/dbraw/zinc/30/79/69/1022307969.db2.gz GNFKIEIJOQBXSR-UHFFFAOYSA-N 0 1 325.368 3.765 20 5 EHBDMN Cc1ccccc1[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000441440477 1022802270 /nfs/dbraw/zinc/80/22/70/1022802270.db2.gz QFFDFVFOIBGWQN-UZLBHIALSA-N 0 1 340.423 3.908 20 5 EHBDMN Cc1ccccc1[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000441440477 1022802285 /nfs/dbraw/zinc/80/22/85/1022802285.db2.gz QFFDFVFOIBGWQN-UZLBHIALSA-N 0 1 340.423 3.908 20 5 EHBDMN CC(C)(C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000438588542 1022826429 /nfs/dbraw/zinc/82/64/29/1022826429.db2.gz RCGLVXFQNBVUMO-UHFFFAOYSA-N 0 1 341.411 3.834 20 5 EHBDMN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1Oc2ccccc2[C@H]1C ZINC000509578310 1023075929 /nfs/dbraw/zinc/07/59/29/1023075929.db2.gz HFKSEQCLGDTGAR-DDBGAENHSA-N 0 1 348.349 3.916 20 5 EHBDMN CCOc1cc(CN(C)[C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276872538 1023270668 /nfs/dbraw/zinc/27/06/68/1023270668.db2.gz HRCDZQIRSLRSLG-QGZVFWFLSA-N 0 1 344.411 3.549 20 5 EHBDMN CCOc1cc(CN[C@@H](C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000276874660 1023278380 /nfs/dbraw/zinc/27/83/80/1023278380.db2.gz HZEJEKFYQZGVCS-ZDUSSCGKSA-N 0 1 330.384 3.853 20 5 EHBDMN CCOc1cc(CN[C@@H](CCCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276892515 1023315351 /nfs/dbraw/zinc/31/53/51/1023315351.db2.gz KLMFIADRGDUNOI-KRWDZBQOSA-N 0 1 344.411 3.597 20 5 EHBDMN COc1ccc(CNCc2ccc(OCC3CC3)cc2)cc1[N+](=O)[O-] ZINC000276966519 1023493263 /nfs/dbraw/zinc/49/32/63/1023493263.db2.gz NXLNWUIFAWHCJP-UHFFFAOYSA-N 0 1 342.395 3.682 20 5 EHBDMN CC[C@@H](C)[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000341879442 1023513912 /nfs/dbraw/zinc/51/39/12/1023513912.db2.gz UVISNGHERZHEDH-IAQYHMDHSA-N 0 1 336.823 3.859 20 5 EHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC(F)(F)C3)cs2)c1 ZINC000610787771 1023516780 /nfs/dbraw/zinc/51/67/80/1023516780.db2.gz NPLMJKKTOUMULZ-LLVKDONJSA-N 0 1 339.367 3.996 20 5 EHBDMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000277063914 1023739368 /nfs/dbraw/zinc/73/93/68/1023739368.db2.gz DKUNCSMVPZQMBA-UHTWSYAYSA-N 0 1 331.420 3.947 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1C ZINC000610831064 1023780949 /nfs/dbraw/zinc/78/09/49/1023780949.db2.gz HVTRAEZIZUOZNM-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN CCC1(CC)[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1OC ZINC000610845665 1023788133 /nfs/dbraw/zinc/78/81/33/1023788133.db2.gz DASJTARBDBJUOD-CVEARBPZSA-N 0 1 347.415 3.762 20 5 EHBDMN CCC1(CC)[C@@H](OC)C[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610845666 1023788146 /nfs/dbraw/zinc/78/81/46/1023788146.db2.gz DASJTARBDBJUOD-HOTGVXAUSA-N 0 1 347.415 3.762 20 5 EHBDMN CCO[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000610930482 1023877498 /nfs/dbraw/zinc/87/74/98/1023877498.db2.gz SMUSNBJDDDJKOQ-INIZCTEOSA-N 0 1 330.384 3.856 20 5 EHBDMN CC[C@@H]1C[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167500306 1024242997 /nfs/dbraw/zinc/24/29/97/1024242997.db2.gz SMICETROQZKRJV-ZWNOBZJWSA-N 0 1 327.222 3.978 20 5 EHBDMN Cc1ccc(C)c([C@H](C)N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000346275565 1024565497 /nfs/dbraw/zinc/56/54/97/1024565497.db2.gz AWVZBOPZDFMDOF-AWEZNQCLSA-N 0 1 341.411 3.504 20 5 EHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000277369112 1024780571 /nfs/dbraw/zinc/78/05/71/1024780571.db2.gz WUIJNULDJIPNAQ-CYZMBNFOSA-N 0 1 331.420 3.947 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(C(=O)OC(C)C)CC1 ZINC000895828859 1024892930 /nfs/dbraw/zinc/89/29/30/1024892930.db2.gz OPSDLFYRXKQRGY-RVDMUPIBSA-N 0 1 346.427 3.662 20 5 EHBDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1F ZINC000451162573 1025619966 /nfs/dbraw/zinc/61/99/66/1025619966.db2.gz NQKFLNHGVQTGSR-CHWSQXEVSA-N 0 1 345.374 3.720 20 5 EHBDMN COc1ccc(CN2CC[C@@H](COc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000505855008 1025980798 /nfs/dbraw/zinc/98/07/98/1025980798.db2.gz AEDHELUDVFLGMY-MRXNPFEDSA-N 0 1 342.395 3.504 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nc(-c2ccn3cncc3c2)no1 ZINC000351076519 1026055992 /nfs/dbraw/zinc/05/59/92/1026055992.db2.gz IOEVBWXKLWJLBQ-UHFFFAOYSA-N 0 1 341.714 3.613 20 5 EHBDMN Cc1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531443669 1026926369 /nfs/dbraw/zinc/92/63/69/1026926369.db2.gz IGGZLBLMOAQKAK-GJZGRUSLSA-N 0 1 341.411 3.889 20 5 EHBDMN Cc1ccccc1[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444610073 1028074254 /nfs/dbraw/zinc/07/42/54/1028074254.db2.gz NYXYVDSSNQSNTC-AWEZNQCLSA-N 0 1 336.395 3.769 20 5 EHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000444774639 1028263699 /nfs/dbraw/zinc/26/36/99/1028263699.db2.gz XIPOTSPPRPLUJG-LSDHHAIUSA-N 0 1 333.432 3.598 20 5 EHBDMN Cc1ccc(Cl)cc1NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000137255357 1028527560 /nfs/dbraw/zinc/52/75/60/1028527560.db2.gz CWVVNIUVSOMYPT-GFCCVEGCSA-N 0 1 347.802 3.846 20 5 EHBDMN CCCC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000509667651 1028729021 /nfs/dbraw/zinc/72/90/21/1028729021.db2.gz AVKPCLWRSZAGFN-UHFFFAOYSA-N 0 1 330.388 3.560 20 5 EHBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186726146 1028856550 /nfs/dbraw/zinc/85/65/50/1028856550.db2.gz BARAKBYNMVMYFT-UHFFFAOYSA-N 0 1 329.337 3.872 20 5 EHBDMN Cc1ccc(-c2n[nH]c(SCc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000021674832 1028870379 /nfs/dbraw/zinc/87/03/79/1028870379.db2.gz KDDWAYCHMXWJEK-UHFFFAOYSA-N 0 1 326.381 3.981 20 5 EHBDMN CC(C)c1ccc(-c2nc(C3(N)CCCCC3)no2)cc1[N+](=O)[O-] ZINC000424343038 1029023369 /nfs/dbraw/zinc/02/33/69/1029023369.db2.gz IYYRCYKWSPSCDB-UHFFFAOYSA-N 0 1 330.388 3.886 20 5 EHBDMN COc1ccc(OC)c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278173465 1029492446 /nfs/dbraw/zinc/49/24/46/1029492446.db2.gz CRWUZJFZAKWYAU-SFHVURJKSA-N 0 1 342.395 3.779 20 5 EHBDMN C[C@@H](NCc1ccnc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453278942 1030020456 /nfs/dbraw/zinc/02/04/56/1030020456.db2.gz DEWCTZUURBAKHT-SNVBAGLBSA-N 0 1 325.290 3.859 20 5 EHBDMN CCc1ccc([C@H](NC[C@H](C)CCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453284385 1030025257 /nfs/dbraw/zinc/02/52/57/1030025257.db2.gz WBJHFFPPFASJSN-AUUYWEPGSA-N 0 1 346.427 3.838 20 5 EHBDMN CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000532125090 1030417610 /nfs/dbraw/zinc/41/76/10/1030417610.db2.gz ZRAMYYWACYFZBX-HNNXBMFYSA-N 0 1 334.416 3.539 20 5 EHBDMN O=[N+]([O-])c1cccc(N2CCN([C@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000482831019 1030740576 /nfs/dbraw/zinc/74/05/76/1030740576.db2.gz ZIHUYHSKVXDOSH-IBGZPJMESA-N 0 1 341.386 3.543 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc2c(c1)OCCCO2 ZINC000161887052 1030772447 /nfs/dbraw/zinc/77/24/47/1030772447.db2.gz BGVRUYFXPRPRJQ-AWEZNQCLSA-N 0 1 342.395 3.915 20 5 EHBDMN Cc1csc(C)c1S(=O)(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000903618856 1031452551 /nfs/dbraw/zinc/45/25/51/1031452551.db2.gz RIBCQXHETBGRNT-UHFFFAOYSA-N 0 1 340.426 3.691 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2CC[C@@H]3CCCC[C@H]3N2)n1 ZINC000904092979 1031743819 /nfs/dbraw/zinc/74/38/19/1031743819.db2.gz FVGYLUZJHAMCKA-MAZHCROVSA-N 0 1 342.399 3.937 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC2(CCCC2)O1 ZINC000594523903 1033431647 /nfs/dbraw/zinc/43/16/47/1033431647.db2.gz VBWDOFNHGVCORW-MRXNPFEDSA-N 0 1 334.416 3.575 20 5 EHBDMN COc1cc(CNCc2cc(C)cc(C)c2)c([N+](=O)[O-])cc1OC ZINC000594973214 1033577691 /nfs/dbraw/zinc/57/76/91/1033577691.db2.gz IXAVPUYCKBPSJP-UHFFFAOYSA-N 0 1 330.384 3.519 20 5 EHBDMN COC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1cccc(OC)c1 ZINC000595066247 1033643661 /nfs/dbraw/zinc/64/36/61/1033643661.db2.gz HBGCPSHQOOIUKG-KBXCAEBGSA-N 0 1 344.411 3.950 20 5 EHBDMN COCc1csc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000595077155 1033696894 /nfs/dbraw/zinc/69/68/94/1033696894.db2.gz MNAYDGVKHLWFKF-NSHDSACASA-N 0 1 336.413 3.662 20 5 EHBDMN Cc1c([C@@H](C)NCc2c(C(F)(F)F)cnn2C)cccc1[N+](=O)[O-] ZINC000599059999 1033698179 /nfs/dbraw/zinc/69/81/79/1033698179.db2.gz KYJLMYWNRIDHLW-SNVBAGLBSA-N 0 1 342.321 3.506 20 5 EHBDMN Cc1cc(C2CCN(c3ccc4cnccc4c3[N+](=O)[O-])CC2)[nH]n1 ZINC000599065805 1033707042 /nfs/dbraw/zinc/70/70/42/1033707042.db2.gz OAKRNDQQJZFTLZ-UHFFFAOYSA-N 0 1 337.383 3.559 20 5 EHBDMN Cc1noc(CN2CCC[C@@H]2Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC000595296303 1033721710 /nfs/dbraw/zinc/72/17/10/1033721710.db2.gz ZRPKGWABZNXCHB-CYBMUJFWSA-N 0 1 335.791 3.752 20 5 EHBDMN COc1ccc([C@@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000599094658 1033731682 /nfs/dbraw/zinc/73/16/82/1033731682.db2.gz XKEPDUOLVVCCGR-SGTLLEGYSA-N 0 1 327.384 3.800 20 5 EHBDMN Cc1ccc(C)n1C1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595309380 1033738332 /nfs/dbraw/zinc/73/83/32/1033738332.db2.gz RWKDUWXXOWWOCI-UHFFFAOYSA-N 0 1 331.391 3.989 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](COCc2ccccc2)C1 ZINC000595324877 1033741502 /nfs/dbraw/zinc/74/15/02/1033741502.db2.gz CIORXQOOXNPBKT-INIZCTEOSA-N 0 1 344.386 3.773 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN(CCO)[C@@H]1CCCc2ccccc21 ZINC000595375213 1033782954 /nfs/dbraw/zinc/78/29/54/1033782954.db2.gz QHDQMOQFNICCHK-GOSISDBHSA-N 0 1 344.386 3.606 20 5 EHBDMN Cc1noc(C[N@H+]2CCCC[C@H]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000595404027 1033805301 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C/C=C/C[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000599688045 1034116168 /nfs/dbraw/zinc/11/61/68/1034116168.db2.gz BNGUZGQGSJRJAW-BAABZTOOSA-N 0 1 342.399 3.823 20 5 EHBDMN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593332822 1034672393 /nfs/dbraw/zinc/67/23/93/1034672393.db2.gz PISQSSVGSGEHMZ-CQSZACIVSA-N 0 1 334.397 3.618 20 5 EHBDMN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000179857629 1034808186 /nfs/dbraw/zinc/80/81/86/1034808186.db2.gz AKOFQFMQVIJJKY-UHFFFAOYSA-N 0 1 332.266 3.661 20 5 EHBDMN Cc1ccc([C@H](C)N[C@@H]2CCc3ccccc3NC2=O)cc1[N+](=O)[O-] ZINC000411480729 1034893725 /nfs/dbraw/zinc/89/37/25/1034893725.db2.gz YKNXFNNPYJALCD-SUMWQHHRSA-N 0 1 339.395 3.507 20 5 EHBDMN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000609118621 1035736320 /nfs/dbraw/zinc/73/63/20/1035736320.db2.gz WSQCHSXYQDRJDO-RISCZKNCSA-N 0 1 330.388 3.560 20 5 EHBDMN CCOc1cc(CN(C)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000492517687 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3.742 20 5 EHBDMN CCC[C@@](C)(O)CN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000541545025 1036422952 /nfs/dbraw/zinc/42/29/52/1036422952.db2.gz HIBLNSCQMPDPIF-RTBURBONSA-N 0 1 346.427 3.980 20 5 EHBDMN CC1(C)CCCN1CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000572652668 1036447919 /nfs/dbraw/zinc/44/79/19/1036447919.db2.gz ZLRXOYDDGHDSML-AWEZNQCLSA-N 0 1 345.365 3.662 20 5 EHBDMN Cc1cc(NS(=O)(=O)c2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000325849435 1036576508 /nfs/dbraw/zinc/57/65/08/1036576508.db2.gz SXTXZBIRAKVMEY-UHFFFAOYSA-N 0 1 342.376 3.857 20 5 EHBDMN COC[C@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000590175602 1036800823 /nfs/dbraw/zinc/80/08/23/1036800823.db2.gz WVNIMZSIBHPFMF-LBPRGKRZSA-N 0 1 346.349 3.862 20 5 EHBDMN CN(CCOc1cccc([N+](=O)[O-])c1)Cc1cc(F)c(F)c(F)c1 ZINC000539729944 1037130605 /nfs/dbraw/zinc/13/06/05/1037130605.db2.gz YZTUOJVQVBVZGZ-UHFFFAOYSA-N 0 1 340.301 3.523 20 5 EHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC(C)(C)C1 ZINC000412032929 1037485585 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Cc1ccc(NC(=O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000181819688 1125047573 /nfs/dbraw/zinc/04/75/73/1125047573.db2.gz MYKKHCNIBBRRPM-OAHLLOKOSA-N 0 1 341.411 3.809 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)N[C@H](C)c2ccsc2)cccc1[N+](=O)[O-] ZINC000619746456 1125399089 /nfs/dbraw/zinc/39/90/89/1125399089.db2.gz WTQCXLWXMMAFAD-VXGBXAGGSA-N 0 1 333.413 3.643 20 5 EHBDMN O=C(Nc1nnc(/C=C\c2ccco2)s1)c1ccc([N+](=O)[O-])s1 ZINC000255767022 1129196856 /nfs/dbraw/zinc/19/68/56/1129196856.db2.gz FZJRXSYGVNEHEM-HYXAFXHYSA-N 0 1 348.365 3.524 20 5 EHBDMN CCC[C@H]1[C@H](C)CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081180017 1129405153 /nfs/dbraw/zinc/40/51/53/1129405153.db2.gz GMEPKECJTWJHBU-ABAIWWIYSA-N 0 1 330.388 3.512 20 5 EHBDMN C[C@H](O)C[C@H]1CCCCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000318383680 1129504573 /nfs/dbraw/zinc/50/45/73/1129504573.db2.gz CLSQHRJCGPYMRK-QWHCGFSZSA-N 0 1 326.824 3.764 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN1CCC(OCc2ccccc2F)CC1 ZINC000091868835 1129525721 /nfs/dbraw/zinc/52/57/21/1129525721.db2.gz SGONFWSZRLEUHT-UHFFFAOYSA-N 0 1 344.386 3.915 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC(OCc3ccc(F)cc3)CC2)cc1 ZINC000091869537 1129526074 /nfs/dbraw/zinc/52/60/74/1129526074.db2.gz YUMJVSLTIMNAIK-UHFFFAOYSA-N 0 1 344.386 3.915 20 5 EHBDMN CC(C)c1ccc(CN2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000092967771 1129570144 /nfs/dbraw/zinc/57/01/44/1129570144.db2.gz MDLDLWNTKWRMAA-INIZCTEOSA-N 0 1 328.416 3.752 20 5 EHBDMN CC1(C)CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000390940180 1129643154 /nfs/dbraw/zinc/64/31/54/1129643154.db2.gz PETXPJUQODYMFF-CQSZACIVSA-N 0 1 346.456 3.764 20 5 EHBDMN C[C@H](NCc1cc2c(c(Cl)c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000391136519 1129651543 /nfs/dbraw/zinc/65/15/43/1129651543.db2.gz PXTXYPPTFQLPDO-JTQLQIEISA-N 0 1 334.759 3.828 20 5 EHBDMN CN(Cc1ccccc1N1CCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338881931 1129678736 /nfs/dbraw/zinc/67/87/36/1129678736.db2.gz WMXIBBNJJBUNOZ-UHFFFAOYSA-N 0 1 341.411 3.533 20 5 EHBDMN Cc1cc(NC[C@@](C)(O)c2ccsc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302165687 1129771343 /nfs/dbraw/zinc/77/13/43/1129771343.db2.gz KTIXXCOINYODNA-QGZVFWFLSA-N 0 1 343.408 3.833 20 5 EHBDMN COc1ccccc1[C@H](CNc1cccc(C)c1[N+](=O)[O-])N(C)C ZINC000302480137 1129779467 /nfs/dbraw/zinc/77/94/67/1129779467.db2.gz GJQUNOHJAJSVBT-INIZCTEOSA-N 0 1 329.400 3.627 20 5 EHBDMN Cc1cccc(C)c1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196573 1129806349 /nfs/dbraw/zinc/80/63/49/1129806349.db2.gz TUFCMTDDOWAITG-GJZGRUSLSA-N 0 1 341.411 3.889 20 5 EHBDMN COc1cc2c(cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000132100591 1129875617 /nfs/dbraw/zinc/87/56/17/1129875617.db2.gz XVXCKEPGDHDXSJ-QWHCGFSZSA-N 0 1 342.395 3.778 20 5 EHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1 ZINC000601929807 1129887141 /nfs/dbraw/zinc/88/71/41/1129887141.db2.gz BYSRBXHYQHLBJS-RBSFLKMASA-N 0 1 341.411 3.511 20 5 EHBDMN CC[C@H](N[C@@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766044568 1129920695 /nfs/dbraw/zinc/92/06/95/1129920695.db2.gz MVFJHYLBIVSPEC-FUHWJXTLSA-N 0 1 326.400 3.812 20 5 EHBDMN Cc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000076664336 1129976447 /nfs/dbraw/zinc/97/64/47/1129976447.db2.gz GKKKFEJBJZPRBH-OAHLLOKOSA-N 0 1 330.388 3.530 20 5 EHBDMN CC[C@](C)(NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000730817664 1130741149 /nfs/dbraw/zinc/74/11/49/1130741149.db2.gz QPINYMWSAMJINX-IBGZPJMESA-N 0 1 342.395 3.876 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC(F)(F)CC2)c1F ZINC001173180688 1131992687 /nfs/dbraw/zinc/99/26/87/1131992687.db2.gz LWRVMAZTYDEPQW-NSHDSACASA-N 0 1 346.349 3.795 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H](C(F)F)C2)c1F ZINC001173189247 1131995628 /nfs/dbraw/zinc/99/56/28/1131995628.db2.gz JXACYPBALGSAIC-GHMZBOCLSA-N 0 1 346.349 3.651 20 5 EHBDMN COc1cccc2c1CN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001173223962 1132005079 /nfs/dbraw/zinc/00/50/79/1132005079.db2.gz CJRGJRLXVZNVCP-AWEZNQCLSA-N 0 1 326.396 3.593 20 5 EHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2ncc(Cl)cc2C1 ZINC001173229923 1132007744 /nfs/dbraw/zinc/00/77/44/1132007744.db2.gz BURQXRVNYVUIEF-LBPRGKRZSA-N 0 1 331.803 3.633 20 5 EHBDMN Nc1c2cccnc2c2ncccc2c1Nc1ccc2c[nH]nc2c1 ZINC001174501494 1132390066 /nfs/dbraw/zinc/39/00/66/1132390066.db2.gz WAQYGCFHIKNHNA-UHFFFAOYSA-N 0 1 326.363 3.985 20 5 EHBDMN CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CC[C@H]1c1ccccc1 ZINC000746382061 1132504788 /nfs/dbraw/zinc/50/47/88/1132504788.db2.gz LLHYMIIRJVZQLA-FUHWJXTLSA-N 0 1 342.443 3.881 20 5 EHBDMN CC1(C)[C@@H](c2ccccc2F)CCN1Cc1cccnc1[N+](=O)[O-] ZINC001175454431 1132686606 /nfs/dbraw/zinc/68/66/06/1132686606.db2.gz STUNELFNLJBWEK-OAHLLOKOSA-N 0 1 329.375 3.897 20 5 EHBDMN O=C1CN(Cc2c3ccccc3c(Cl)c3ccccc32)CCCN1 ZINC000769109028 1133228122 /nfs/dbraw/zinc/22/81/22/1133228122.db2.gz PNSNVVDHKLIGKU-UHFFFAOYSA-N 0 1 338.838 3.968 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2cc(F)ccc2N(C)C)cc1[N+](=O)[O-] ZINC001179830200 1133287021 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CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000791053024 1134503351 /nfs/dbraw/zinc/50/33/51/1134503351.db2.gz BGEMTSLDMLLTPZ-KPKJPENVSA-N 0 1 336.351 3.822 20 5 EHBDMN CC(C)[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879803 1134812492 /nfs/dbraw/zinc/81/24/92/1134812492.db2.gz LEENVLNJIGPILY-NSHDSACASA-N 0 1 335.282 3.570 20 5 EHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCOC2CCCCC2)c1 ZINC001649139490 1135847252 /nfs/dbraw/zinc/84/72/52/1135847252.db2.gz YGKYOTAESSMEEU-UHFFFAOYSA-N 0 1 344.358 3.635 20 5 EHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H](O)c1ccccc1 ZINC000811471958 1136095441 /nfs/dbraw/zinc/09/54/41/1136095441.db2.gz OSERSBBCHDJKRO-CQSZACIVSA-N 0 1 341.194 3.725 20 5 EHBDMN C[C@H](c1cc(F)ccc1F)N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776276601 1136131010 /nfs/dbraw/zinc/13/10/10/1136131010.db2.gz KUIQHEYPXLVLRI-PIGZYNQJSA-N 0 1 336.338 3.599 20 5 EHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847511 1136259388 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20 5 EHBDMN Cc1nc(F)ccc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000824820973 1137153788 /nfs/dbraw/zinc/15/37/88/1137153788.db2.gz RSALAEKRXPIWSW-MRXNPFEDSA-N 0 1 329.375 3.817 20 5 EHBDMN O=[N+]([O-])c1ccc(/C=C\Sc2nc(-c3ccccc3F)n[nH]2)o1 ZINC000825151140 1137167339 /nfs/dbraw/zinc/16/73/39/1137167339.db2.gz YIVRYANULFALFO-FPLPWBNLSA-N 0 1 332.316 3.875 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000872029029 1137566143 /nfs/dbraw/zinc/56/61/43/1137566143.db2.gz VBRLAHITHNETHM-SDDDUWNISA-N 0 1 344.436 3.626 20 5 EHBDMN C[C@@H](NC[C@H]1OCCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872046288 1137567514 /nfs/dbraw/zinc/56/75/14/1137567514.db2.gz WDSIRNRBANZDAJ-SJKOYZFVSA-N 0 1 330.359 3.699 20 5 EHBDMN C[C@@H](NCC[C@@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064605 1137569184 /nfs/dbraw/zinc/56/91/84/1137569184.db2.gz IUHWAWQZYATFBP-FZKQIMNGSA-N 0 1 332.375 3.682 20 5 EHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)nc1 ZINC000873186332 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341.411 3.889 20 5 EHBDMN Cc1cccc(C)c1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196574 1129806125 /nfs/dbraw/zinc/80/61/25/1129806125.db2.gz TUFCMTDDOWAITG-HUUCEWRRSA-N 0 1 341.411 3.889 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2nc(C)ncc21 ZINC000766045805 1129935684 /nfs/dbraw/zinc/93/56/84/1129935684.db2.gz VXBJXQCNXVMYRN-PXAZEXFGSA-N 0 1 326.400 3.730 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCOC3(CCCCC3)C1)CC2 ZINC001172919218 1131903885 /nfs/dbraw/zinc/90/38/85/1131903885.db2.gz FJECSIYOXIKXDK-GOSISDBHSA-N 0 1 344.455 3.877 20 5 EHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](c1ccccc1)c1cccnn1 ZINC001173231526 1132009320 /nfs/dbraw/zinc/00/93/20/1132009320.db2.gz ZZXJPVKNUUNOIY-YWZLYKJASA-N 0 1 348.406 3.695 20 5 EHBDMN C[C@H](C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000746076757 1132360933 /nfs/dbraw/zinc/36/09/33/1132360933.db2.gz PNMGMYFHMMPBDV-IJLUTSLNSA-N 0 1 340.807 3.553 20 5 EHBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2Br)C(C)(C)C1 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DVQCHOSYMBRABG-DYVFJYSZSA-N 0 1 332.400 3.606 20 5 EHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCc2ccc(O)cc2CC1 ZINC000746666723 1133986487 /nfs/dbraw/zinc/98/64/87/1133986487.db2.gz PPCBXXNUHCDAGK-UHFFFAOYSA-N 0 1 332.787 3.555 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000774883952 1134092610 /nfs/dbraw/zinc/09/26/10/1134092610.db2.gz FTCFWZAMIJRFEL-CYBMUJFWSA-N 0 1 345.330 3.632 20 5 EHBDMN CN(CCOc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471806 1134129490 /nfs/dbraw/zinc/12/94/90/1134129490.db2.gz UDAHJPFBAOMKSI-UHFFFAOYSA-N 0 1 338.766 3.898 20 5 EHBDMN Cc1c(CNCc2ccc3c(c2)COC(C)(C)O3)cccc1[N+](=O)[O-] ZINC000792184971 1134664399 /nfs/dbraw/zinc/66/43/99/1134664399.db2.gz YINKJKSALUGQMD-UHFFFAOYSA-N 0 1 342.395 3.838 20 5 EHBDMN CC(C)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191538674 1134881332 /nfs/dbraw/zinc/88/13/32/1134881332.db2.gz CKZWOWSYDQYTQY-LLVKDONJSA-N 0 1 327.222 3.835 20 5 EHBDMN O=[N+]([O-])c1ccc([C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000776279658 1136134617 /nfs/dbraw/zinc/13/46/17/1136134617.db2.gz XDXHXWVNBADCLK-IBGZPJMESA-N 0 1 342.370 3.557 20 5 EHBDMN CON(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)c1ccccc1C ZINC000854521003 1136623349 /nfs/dbraw/zinc/62/33/49/1136623349.db2.gz JZMQWFRHAFFPOL-GFCCVEGCSA-N 0 1 346.387 3.515 20 5 EHBDMN C[C@H](CN(C)[C@H](C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860093522 1137043995 /nfs/dbraw/zinc/04/39/95/1137043995.db2.gz CSSSCTKJTPVJBS-CHWSQXEVSA-N 0 1 337.420 3.501 20 5 EHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000862540694 1137149090 /nfs/dbraw/zinc/14/90/90/1137149090.db2.gz JWBRSHJWBYJPBM-ZDUSSCGKSA-N 0 1 332.787 3.943 20 5 EHBDMN CCOc1ccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000339065992 1137217374 /nfs/dbraw/zinc/21/73/74/1137217374.db2.gz DIIPLWWPMGGKCH-GFCCVEGCSA-N 0 1 346.383 3.559 20 5 EHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc(OC)c1OC ZINC000865759695 1137309343 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O=[N+]([O-])c1cnn(C2CC(NCc3c(Cl)cccc3Cl)C2)c1 ZINC000876989166 1137667105 /nfs/dbraw/zinc/66/71/05/1137667105.db2.gz QNJVFUKCLIJMIX-UHFFFAOYSA-N 0 1 341.198 3.591 20 5 EHBDMN COc1cccc([C@H]2CCN(Cc3onc(C)c3[N+](=O)[O-])C2(C)C)c1 ZINC000880284598 1137773209 /nfs/dbraw/zinc/77/32/09/1137773209.db2.gz AYJWMOSIBCLGBM-OAHLLOKOSA-N 0 1 345.399 3.668 20 5 EHBDMN CCC1CCC(N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000332252037 1137937374 /nfs/dbraw/zinc/93/73/74/1137937374.db2.gz MBLQNHSEUBKVHI-UHFFFAOYSA-N 0 1 330.388 3.512 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000135226326 1137964768 /nfs/dbraw/zinc/96/47/68/1137964768.db2.gz FNCXHPUHIQDXAF-SFHVURJKSA-N 0 1 346.814 3.946 20 5 EHBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H](CSc2ccccc2)C1 ZINC000886022465 1138032797 /nfs/dbraw/zinc/03/27/97/1138032797.db2.gz CAWSCRNTSBCBHR-CQSZACIVSA-N 0 1 329.425 3.604 20 5 EHBDMN CCC1(C)CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000263693317 1138344250 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330.359 3.983 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(C)(C)O)cc1 ZINC000187499435 1140257738 /nfs/dbraw/zinc/25/77/38/1140257738.db2.gz LZWLKLQDGWTHEY-UHFFFAOYSA-N 0 1 344.411 3.511 20 5 EHBDMN C[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCC2 ZINC000271281793 1141338928 /nfs/dbraw/zinc/33/89/28/1141338928.db2.gz AEETUFWELXUNMV-CYBMUJFWSA-N 0 1 342.399 3.657 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000825638938 604039564 /nfs/dbraw/zinc/03/95/64/604039564.db2.gz PLJJHKACEAYZPQ-FMKPAKJESA-N 0 1 347.415 3.510 20 5 EHBDMN C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(C)(C)C(=O)[O-] ZINC000833694285 604627719 /nfs/dbraw/zinc/62/77/19/604627719.db2.gz ONJLJLGMALWLPY-UHFFFAOYSA-N 0 1 334.397 3.618 20 5 EHBDMN CCc1oc(C(=O)[O-])cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565101423 604784446 /nfs/dbraw/zinc/78/44/46/604784446.db2.gz KCCMRSKPPKEZRZ-UHFFFAOYSA-N 0 1 344.367 3.613 20 5 EHBDMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000565101423 604784450 /nfs/dbraw/zinc/78/44/50/604784450.db2.gz KCCMRSKPPKEZRZ-UHFFFAOYSA-N 0 1 344.367 3.613 20 5 EHBDMN Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000572370311 974746476 /nfs/dbraw/zinc/74/64/76/974746476.db2.gz LUYQNVHOLAWRMI-UHFFFAOYSA-N 0 1 332.356 3.605 20 5 EHBDMN CC(C)C[C@@H](N)c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000339356996 1014275932 /nfs/dbraw/zinc/27/59/32/1014275932.db2.gz CKEBGDCPIXJVLD-ZWNOBZJWSA-N 0 1 336.417 3.877 20 5 EHBDMN Cc1ccc([C@@H](C)NC(=O)c2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000175458351 1016258770 /nfs/dbraw/zinc/25/87/70/1016258770.db2.gz WLIWTFIPCOUUTL-SNVBAGLBSA-N 0 1 334.759 3.753 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000340184285 1016634663 /nfs/dbraw/zinc/63/46/63/1016634663.db2.gz SRTFLQKGOJYZSD-QGZVFWFLSA-N 0 1 340.379 3.703 20 5 EHBDMN Cc1ccc([C@@H](C)NCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000538275547 1032265381 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Cc1cc(-n2ccnc2)ccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000574104113 1032724085 /nfs/dbraw/zinc/72/40/85/1032724085.db2.gz ULCOYCISDXHXKU-UHFFFAOYSA-N 0 1 348.406 3.647 20 5 EHBDMN O=[N+]([O-])c1cc(Nc2ccc(O)c(Br)c2)ccc1O ZINC001210400742 1017960856 /nfs/dbraw/zinc/96/08/56/1017960856.db2.gz KTPFCBDNJWDPKZ-UHFFFAOYSA-N 0 1 325.118 3.512 20 5 EHBDMN Cc1ccc([C@H](C)N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000046358171 1032872769 /nfs/dbraw/zinc/87/27/69/1032872769.db2.gz FRAONKIIJOQFEQ-LBPRGKRZSA-N 0 1 338.367 3.613 20 5 EHBDMN CCOC1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602443233 1032893149 /nfs/dbraw/zinc/89/31/49/1032893149.db2.gz BHNKPPABEHFFBH-UHFFFAOYSA-N 0 1 332.322 3.615 20 5 EHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000610516021 1021175202 /nfs/dbraw/zinc/17/52/02/1021175202.db2.gz VJHPYSSOWHHLOI-ZFWWWQNUSA-N 0 1 331.441 3.979 20 5 EHBDMN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506502321 1021201581 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Cc1cc([C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000507081653 1023122071 /nfs/dbraw/zinc/12/20/71/1023122071.db2.gz AEXYQIYOBYLBFK-KRWDZBQOSA-N 0 1 344.342 3.629 20 5 EHBDMN CC(C)(O)C(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449723308 1033113188 /nfs/dbraw/zinc/11/31/88/1033113188.db2.gz LIRDEPZANGWKLD-UHFFFAOYSA-N 0 1 349.456 3.605 20 5 EHBDMN CCC(CC)(NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602788312 1033162085 /nfs/dbraw/zinc/16/20/85/1033162085.db2.gz PVWFRFGOIPAXGJ-UHFFFAOYSA-N 0 1 336.823 3.787 20 5 EHBDMN CCc1ccc([C@H](NC[C@@H](CC)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000544356827 1024178167 /nfs/dbraw/zinc/17/81/67/1024178167.db2.gz BHWGOPILKABDPG-IFXJQAMLSA-N 0 1 346.427 3.838 20 5 EHBDMN CCCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000156680945 1024418776 /nfs/dbraw/zinc/41/87/76/1024418776.db2.gz XZECTZCYCWNJKW-CQSZACIVSA-N 0 1 329.400 3.938 20 5 EHBDMN COc1ccc(CNCc2cc3c(ccc(C)c3C)[nH]2)cc1[N+](=O)[O-] ZINC000472040244 1024443186 /nfs/dbraw/zinc/44/31/86/1024443186.db2.gz AWCOUVSQKKDHIB-UHFFFAOYSA-N 0 1 339.395 3.991 20 5 EHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCN3CCSC[C@H]23)c(C(F)F)c1 ZINC000895567681 1024623837 /nfs/dbraw/zinc/62/38/37/1024623837.db2.gz GQVFMDOQZNHBDC-ZIAGYGMSSA-N 0 1 343.399 3.524 20 5 EHBDMN O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427806245 1024797101 /nfs/dbraw/zinc/79/71/01/1024797101.db2.gz RGRJNEGSMXFMLU-UHFFFAOYSA-N 0 1 345.113 3.999 20 5 EHBDMN CCc1ccc([C@H](NCC[C@H](O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346608287 1024947691 /nfs/dbraw/zinc/94/76/91/1024947691.db2.gz PEWDRAOJZHFCDF-CRAIPNDOSA-N 0 1 332.400 3.590 20 5 EHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(Cl)c1O ZINC000474449548 1024985709 /nfs/dbraw/zinc/98/57/09/1024985709.db2.gz UWAJCJFCFWXMKC-UHFFFAOYSA-N 0 1 338.722 3.664 20 5 EHBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263345747 1025128256 /nfs/dbraw/zinc/12/82/56/1025128256.db2.gz ONWJOWJTHCJXKK-OCCSQVGLSA-N 0 1 344.367 3.540 20 5 EHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC(CCF)CC1 ZINC000602948269 1033275946 /nfs/dbraw/zinc/27/59/46/1033275946.db2.gz PRHKMAGMPKOKDS-GFCCVEGCSA-N 0 1 348.378 3.777 20 5 EHBDMN COCc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000185678388 1025586946 /nfs/dbraw/zinc/58/69/46/1025586946.db2.gz XRULGWYPFCLTJP-KRWDZBQOSA-N 0 1 330.384 3.980 20 5 EHBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])c4cnccc34)[nH]c2c1 ZINC000342458016 1025620921 /nfs/dbraw/zinc/62/09/21/1025620921.db2.gz LVOIMWVQBJZGIZ-UHFFFAOYSA-N 0 1 333.351 3.940 20 5 EHBDMN Cc1noc2ncc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc12 ZINC000894315846 1025770068 /nfs/dbraw/zinc/77/00/68/1025770068.db2.gz JBFHBQLTFJXFDN-NSHDSACASA-N 0 1 326.356 3.599 20 5 EHBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000451740299 1025796515 /nfs/dbraw/zinc/79/65/15/1025796515.db2.gz ZWGJAMMQEIBOSY-OAHLLOKOSA-N 0 1 334.807 3.672 20 5 EHBDMN CC(C)OCCOC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000451948918 1026409710 /nfs/dbraw/zinc/40/97/10/1026409710.db2.gz AQRSHWWINGCXBA-OAHLLOKOSA-N 0 1 336.432 3.562 20 5 EHBDMN Cc1cccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000452086732 1026483387 /nfs/dbraw/zinc/48/33/87/1026483387.db2.gz NGATUMRTJUTOSR-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN CCCC[C@@H](C)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000452177489 1026544456 /nfs/dbraw/zinc/54/44/56/1026544456.db2.gz XHVXZWFRFKOVIY-GFCCVEGCSA-N 0 1 330.388 3.636 20 5 EHBDMN C[C@H](c1ccccc1)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000342696325 1026749128 /nfs/dbraw/zinc/74/91/28/1026749128.db2.gz AQGZRJWDWGECAP-GFCCVEGCSA-N 0 1 326.352 3.666 20 5 EHBDMN CC(C)[C@@H]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000135648477 1027512295 /nfs/dbraw/zinc/51/22/95/1027512295.db2.gz MYINEPUKMZAVND-GFCCVEGCSA-N 0 1 327.222 3.835 20 5 EHBDMN CCC(=O)Nc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783595408 1027575157 /nfs/dbraw/zinc/57/51/57/1027575157.db2.gz RFSUFWQLEASUBF-UHFFFAOYSA-N 0 1 347.802 3.887 20 5 EHBDMN CC(C)CN(Cc1ccccc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434192918 1027751059 /nfs/dbraw/zinc/75/10/59/1027751059.db2.gz DDKKRDLECVTMGM-UHFFFAOYSA-N 0 1 344.415 3.740 20 5 EHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178687191 1027971733 /nfs/dbraw/zinc/97/17/33/1027971733.db2.gz JABCKJXFUBVLMC-OLZOCXBDSA-N 0 1 345.374 3.720 20 5 EHBDMN CC(C)[C@@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000444764105 1028248695 /nfs/dbraw/zinc/24/86/95/1028248695.db2.gz AYHXGEMYDBVGJE-CQSZACIVSA-N 0 1 330.388 3.513 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000161867678 1028333533 /nfs/dbraw/zinc/33/35/33/1028333533.db2.gz KQUDNKSGYFTPIK-CQSZACIVSA-N 0 1 342.395 3.915 20 5 EHBDMN O=C(C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000532737525 1028775426 /nfs/dbraw/zinc/77/54/26/1028775426.db2.gz ZGYPVPAJNHYASL-GOSISDBHSA-N 0 1 342.370 3.971 20 5 EHBDMN CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000531867876 1029941878 /nfs/dbraw/zinc/94/18/78/1029941878.db2.gz KBHBWSGKDKQNPI-OAHLLOKOSA-N 0 1 334.416 3.539 20 5 EHBDMN C[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000120878188 1030100423 /nfs/dbraw/zinc/10/04/23/1030100423.db2.gz LARZKMXODTXFAZ-RISCZKNCSA-N 0 1 332.787 3.903 20 5 EHBDMN CCC[C@@]1(C)CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000525781751 1030115307 /nfs/dbraw/zinc/11/53/07/1030115307.db2.gz VRBSGJMLFPIAOL-SFHVURJKSA-N 0 1 334.416 3.864 20 5 EHBDMN Cc1ccccc1C[C@@H](C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000447404482 1030172278 /nfs/dbraw/zinc/17/22/78/1030172278.db2.gz JWJYQVYWYUZFHV-CQSZACIVSA-N 0 1 338.411 3.843 20 5 EHBDMN CCc1ccc([C@@H](CO)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447575021 1030293798 /nfs/dbraw/zinc/29/37/98/1030293798.db2.gz PTEHBWRBHBSBPE-VQTJNVASSA-N 0 1 340.423 3.858 20 5 EHBDMN Cc1ccsc1[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447583755 1030315280 /nfs/dbraw/zinc/31/52/80/1030315280.db2.gz CAXKLVPLOLAQHJ-JKSUJKDBSA-N 0 1 332.425 3.665 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C[C@H](C)O ZINC000447836901 1030527388 /nfs/dbraw/zinc/52/73/88/1030527388.db2.gz YOVHCEZXVBRMQT-GOEBONIOSA-N 0 1 336.432 3.507 20 5 EHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(c2nc(C)no2)CC1 ZINC000347363440 1030708865 /nfs/dbraw/zinc/70/88/65/1030708865.db2.gz QIXYCXMYPAVAHQ-RAXLEYEMSA-N 0 1 342.399 3.569 20 5 EHBDMN CN1CCC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000249213486 1030831071 /nfs/dbraw/zinc/83/10/71/1030831071.db2.gz DFJGXVDATKCAFT-MFKMUULPSA-N 0 1 338.458 3.608 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)s1 ZINC000904110278 1031734470 /nfs/dbraw/zinc/73/44/70/1031734470.db2.gz QVZGCMQWAYALEB-VWYCJHECSA-N 0 1 334.401 3.690 20 5 EHBDMN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000475740201 1031737432 /nfs/dbraw/zinc/73/74/32/1031737432.db2.gz AXWZDOUMUIVVDQ-QGZVFWFLSA-N 0 1 348.830 3.938 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CN(C)Cc2ccccc21 ZINC000537950704 1032035663 /nfs/dbraw/zinc/03/56/63/1032035663.db2.gz JDKHDIVXJUXJAW-KUHUBIRLSA-N 0 1 325.412 3.741 20 5 EHBDMN COc1ccc(OC)c([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594489569 1033394209 /nfs/dbraw/zinc/39/42/09/1033394209.db2.gz DBLAHPLPVKHPGT-SJKOYZFVSA-N 0 1 342.395 3.950 20 5 EHBDMN Cc1cc(N2CCC[C@H](OC(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931169 1033415252 /nfs/dbraw/zinc/41/52/52/1033415252.db2.gz YMZYCBVAWFYKTP-LBPRGKRZSA-N 0 1 337.326 3.659 20 5 EHBDMN CCOC(=O)c1[nH]c(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000598954355 1033608494 /nfs/dbraw/zinc/60/84/94/1033608494.db2.gz CDBSBDJXVINHIT-GFCCVEGCSA-N 0 1 345.399 3.567 20 5 EHBDMN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1c(C)nn(C)c1C ZINC000595027281 1033648333 /nfs/dbraw/zinc/64/83/33/1033648333.db2.gz RCFNLXUZXYPLGE-BZNIZROVSA-N 0 1 346.431 3.756 20 5 EHBDMN O=[N+]([O-])c1ccc([C@@H](O)CNCc2c(Cl)oc3ccccc32)cc1 ZINC000761314157 1033661195 /nfs/dbraw/zinc/66/11/95/1033661195.db2.gz VARNGDGKKUWHEM-HNNXBMFYSA-N 0 1 346.770 3.818 20 5 EHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000595044149 1033662982 /nfs/dbraw/zinc/66/29/82/1033662982.db2.gz LGLZAMKWDIXQPI-QJPTWQEYSA-N 0 1 347.419 3.647 20 5 EHBDMN CC[C@@H](NC[C@@H](n1cccn1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599055057 1033707168 /nfs/dbraw/zinc/70/71/68/1033707168.db2.gz FWULDFUSGOGESJ-ZIAGYGMSSA-N 0 1 342.321 3.636 20 5 EHBDMN Cc1noc(CN2CCC[C@@]3(CCCc4ccccc43)C2)c1[N+](=O)[O-] ZINC000595339399 1033732783 /nfs/dbraw/zinc/73/27/83/1033732783.db2.gz OBOYBBUZYKGAOE-IBGZPJMESA-N 0 1 341.411 3.761 20 5 EHBDMN Cc1noc(CN[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)c1[N+](=O)[O-] ZINC000595447678 1033814239 /nfs/dbraw/zinc/81/42/39/1033814239.db2.gz IFYVLKMQTXKTNY-CVEARBPZSA-N 0 1 345.399 3.679 20 5 EHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](c2ccccc2)C2CC2)c1 ZINC000593020289 1033824954 /nfs/dbraw/zinc/82/49/54/1033824954.db2.gz FTSRIZZNEXRZOF-GOSISDBHSA-N 0 1 340.379 3.622 20 5 EHBDMN CC(C)(CO)[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000595496245 1033831940 /nfs/dbraw/zinc/83/19/40/1033831940.db2.gz FNRSCGCCXRPHQR-OAHLLOKOSA-N 0 1 338.404 3.645 20 5 EHBDMN CCN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000174282461 1033878854 /nfs/dbraw/zinc/87/88/54/1033878854.db2.gz RYFIPTSNMVECOC-SFHVURJKSA-N 0 1 332.375 3.598 20 5 EHBDMN CC(C)[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595686137 1033945402 /nfs/dbraw/zinc/94/54/02/1033945402.db2.gz QHMPYUONVQXPSR-SFHVURJKSA-N 0 1 345.374 3.659 20 5 EHBDMN COc1ccc([C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)cc1F ZINC000599674991 1034080262 /nfs/dbraw/zinc/08/02/62/1034080262.db2.gz FXPLRERLSRGUKH-ZDUSSCGKSA-N 0 1 348.349 3.871 20 5 EHBDMN Cc1cc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c([N+](=O)[O-])s1 ZINC000596140897 1034090109 /nfs/dbraw/zinc/09/01/09/1034090109.db2.gz SYUCTADMRVRXOM-UHFFFAOYSA-N 0 1 332.385 3.628 20 5 EHBDMN 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CCC(CC)[C@@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113341554 1137912792 /nfs/dbraw/zinc/91/27/92/1137912792.db2.gz JXSMMWBHMBMELD-INIZCTEOSA-N 0 1 349.456 3.605 20 5 EHBDMN C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](c2ccco2)C1 ZINC000331991958 1137927916 /nfs/dbraw/zinc/92/79/16/1137927916.db2.gz ZPZKFRLTNVUWLW-ABAIWWIYSA-N 0 1 330.340 3.507 20 5 EHBDMN COCCCC[C@H](NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886181507 1138056651 /nfs/dbraw/zinc/05/66/51/1138056651.db2.gz MZZYRUMOXCHYOM-KRWDZBQOSA-N 0 1 329.400 3.637 20 5 EHBDMN COc1ccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000886612505 1138102072 /nfs/dbraw/zinc/10/20/72/1138102072.db2.gz MRNMDZFSQADIMZ-WFASDCNBSA-N 0 1 344.333 3.768 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1cccc(F)c1 ZINC000179572127 1139766193 /nfs/dbraw/zinc/76/61/93/1139766193.db2.gz JZBPCZNPHWKZMB-UHFFFAOYSA-N 0 1 345.374 3.506 20 5 EHBDMN Cc1ccc([C@H](C)NCc2ccc(N(C)C(C)C)nc2)cc1[N+](=O)[O-] ZINC000191290623 1140451307 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C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000901523864 980344806 /nfs/dbraw/zinc/34/48/06/980344806.db2.gz ZPIVJYFVOHWPGP-DNXIFWLFSA-N 0 1 346.427 3.821 20 5 EHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000430223208 1015100306 /nfs/dbraw/zinc/10/03/06/1015100306.db2.gz UOUBPTZXQLGUTQ-QGZVFWFLSA-N 0 1 330.384 3.853 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000181832171 1017010161 /nfs/dbraw/zinc/01/01/61/1017010161.db2.gz SXYRUIKAPXEBLE-CYBMUJFWSA-N 0 1 329.356 3.971 20 5 EHBDMN CCc1cnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449495958 1032665367 /nfs/dbraw/zinc/66/53/67/1032665367.db2.gz FQCKMSDVWBLHTP-CQSZACIVSA-N 0 1 331.441 3.993 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CCC(c3c[nH]c4ncccc34)CC2)cs1 ZINC000118838057 1017644058 /nfs/dbraw/zinc/64/40/58/1017644058.db2.gz YNSABOJUKWAONW-UHFFFAOYSA-N 0 1 342.424 3.912 20 5 EHBDMN CN(CCCOc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168525 1017747161 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EHBDMN CSc1ccc([C@@H](C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000337109621 1020840065 /nfs/dbraw/zinc/84/00/65/1020840065.db2.gz LQDDHEHKLLBGBL-SNVBAGLBSA-N 0 1 332.381 3.513 20 5 EHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000126609181 1021106886 /nfs/dbraw/zinc/10/68/86/1021106886.db2.gz GTEIRUPTYTUALY-OLZOCXBDSA-N 0 1 345.374 3.720 20 5 EHBDMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000090843861 1021214294 /nfs/dbraw/zinc/21/42/94/1021214294.db2.gz WVMPODGBMSDPQC-KSSFIOAISA-N 0 1 328.412 3.850 20 5 EHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CCC2)s1 ZINC000348676755 1021272617 /nfs/dbraw/zinc/27/26/17/1021272617.db2.gz SRWGYQZFCAWLOZ-UHFFFAOYSA-N 0 1 331.441 3.993 20 5 EHBDMN CC(C)(NCc1cccc2c1NCCC2)c1ccccc1[N+](=O)[O-] ZINC000894847659 1021370369 /nfs/dbraw/zinc/37/03/69/1021370369.db2.gz FOKIKEGTAOZHMT-UHFFFAOYSA-N 0 1 325.412 3.978 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCCOCc1ccccc1 ZINC000439486420 1021476516 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EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCO[C@H]1CCCC[C@H]1C ZINC000509585632 1023092814 /nfs/dbraw/zinc/09/28/14/1023092814.db2.gz KLDMDWKBFHKNNP-PBHICJAKSA-N 0 1 336.432 3.678 20 5 EHBDMN CCCN(Cc1ccccc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000610773962 1023495026 /nfs/dbraw/zinc/49/50/26/1023495026.db2.gz YWZYYXNQFOUNCE-INIZCTEOSA-N 0 1 342.395 3.647 20 5 EHBDMN CCCc1ccc([C@H](NCc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1 ZINC000602786937 1033161238 /nfs/dbraw/zinc/16/12/38/1033161238.db2.gz XOKCSCPBFGHTOP-QGZVFWFLSA-N 0 1 330.432 3.768 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000610917294 1023876854 /nfs/dbraw/zinc/87/68/54/1023876854.db2.gz YNXAYBLLKLVNTB-CQSZACIVSA-N 0 1 342.399 3.591 20 5 EHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449764584 1033177705 /nfs/dbraw/zinc/17/77/05/1033177705.db2.gz CGPHVRUUAKDWPI-INIZCTEOSA-N 0 1 332.425 3.650 20 5 EHBDMN CC(C)Cc1ccc([C@H](NCc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000602803534 1033175371 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EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@H]1OCCc2ccccc21 ZINC000072597909 1126793757 /nfs/dbraw/zinc/79/37/57/1126793757.db2.gz RVLZOBDLRYCXMO-AUUYWEPGSA-N 0 1 326.396 3.902 20 5 EHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785438418 1127744132 /nfs/dbraw/zinc/74/41/32/1127744132.db2.gz HRVTZKZLNKTKDS-QWHCGFSZSA-N 0 1 337.420 3.501 20 5 EHBDMN CC(=O)Nc1cccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000193234556 1120995662 /nfs/dbraw/zinc/99/56/62/1120995662.db2.gz GPSGCVFDLDCBBI-STQMWFEESA-N 0 1 327.384 3.965 20 5 EHBDMN Cc1nc([C@H](C)NCCc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000272260961 1121139451 /nfs/dbraw/zinc/13/94/51/1121139451.db2.gz AOISXRYGJHQVDH-VIFPVBQESA-N 0 1 325.821 3.906 20 5 EHBDMN O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000301065912 1121298309 /nfs/dbraw/zinc/29/83/09/1121298309.db2.gz DFDUEBAQERVPTQ-HNNXBMFYSA-N 0 1 333.363 3.966 20 5 EHBDMN CCC[C@H](NCc1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000194401438 1121873708 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CC(C)c1[nH]nc(C(=O)N2CCC(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000771293137 1133535822 /nfs/dbraw/zinc/53/58/22/1133535822.db2.gz UPFBBVPRTBKRMP-UHFFFAOYSA-N 0 1 348.447 3.874 20 5 EHBDMN Cc1ncc2c(n1)CCC[C@H]2N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774204204 1133632870 /nfs/dbraw/zinc/63/28/70/1133632870.db2.gz QGGNVUOCWKYDSV-IEBWSBKVSA-N 0 1 338.411 3.738 20 5 EHBDMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1F ZINC000788664786 1134159039 /nfs/dbraw/zinc/15/90/39/1134159039.db2.gz KSYZHWXBJLBLKA-QWRGUYRKSA-N 0 1 333.363 3.737 20 5 EHBDMN Nc1cc(CCCCNc2ccc([N+](=O)[O-])cc2C(F)F)ccn1 ZINC001187739998 1134379230 /nfs/dbraw/zinc/37/92/30/1134379230.db2.gz SHMJLLUJVKLPPT-UHFFFAOYSA-N 0 1 336.342 3.944 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000790694757 1134453947 /nfs/dbraw/zinc/45/39/47/1134453947.db2.gz JUNUVSDFXLHJMM-ZDUSSCGKSA-N 0 1 329.356 3.971 20 5 EHBDMN COc1ccc(C[C@H](C)N2CCC(F)(F)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170329840 1134749536 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EHBDMN O=[N+]([O-])c1cccc(Cl)c1NCc1n[nH]c(-c2ccccc2)n1 ZINC000814360084 1136445331 /nfs/dbraw/zinc/44/53/31/1136445331.db2.gz BJWBXONZJSKEEJ-UHFFFAOYSA-N 0 1 329.747 3.645 20 5 EHBDMN O=[N+]([O-])c1cccc(Cl)c1NCc1nc(-c2ccccc2)n[nH]1 ZINC000814360084 1136445335 /nfs/dbraw/zinc/44/53/35/1136445335.db2.gz BJWBXONZJSKEEJ-UHFFFAOYSA-N 0 1 329.747 3.645 20 5 EHBDMN O=[N+]([O-])c1cccc([C@H](O)CN2CC3(CCCC3)[C@@H]2c2ccco2)c1 ZINC000852426870 1136455246 /nfs/dbraw/zinc/45/52/46/1136455246.db2.gz PURCLXDHKAYYCH-AEFFLSMTSA-N 0 1 342.395 3.839 20 5 EHBDMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591953 1136615849 /nfs/dbraw/zinc/61/58/49/1136615849.db2.gz VGTRAOUEDWLBCM-LRDDRELGSA-N 0 1 327.384 3.578 20 5 EHBDMN Cc1ccc(O[C@H]2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858030875 1136933878 /nfs/dbraw/zinc/93/38/78/1136933878.db2.gz BZNAVAYJTYHFIJ-PBHICJAKSA-N 0 1 327.384 3.513 20 5 EHBDMN COC(=O)CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173398704 1136999854 /nfs/dbraw/zinc/99/98/54/1136999854.db2.gz ASSXMSVBOZLZPS-KBXCAEBGSA-N 0 1 342.395 3.940 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CCC[C@]3(CCSC3)C2)ccc1Cl ZINC000825215642 1137169126 /nfs/dbraw/zinc/16/91/26/1137169126.db2.gz UQRYHWTVAUTRPE-HNNXBMFYSA-N 0 1 326.849 3.967 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CCSC3)C2)cc1Cl ZINC000825215482 1137169196 /nfs/dbraw/zinc/16/91/96/1137169196.db2.gz PLGIOYFMQGWUKH-OAHLLOKOSA-N 0 1 326.849 3.967 20 5 EHBDMN CC(C)Oc1cccc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000339055712 1137187030 /nfs/dbraw/zinc/18/70/30/1137187030.db2.gz FKDYZPICXUUWGG-UHFFFAOYSA-N 0 1 330.384 3.720 20 5 EHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ccc(C)s2)c1 ZINC000844318061 1137212309 /nfs/dbraw/zinc/21/23/09/1137212309.db2.gz LXNHUOZNFMVPGK-NSHDSACASA-N 0 1 334.397 3.602 20 5 EHBDMN COC[C@H](N[C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000866278178 1137342098 /nfs/dbraw/zinc/34/20/98/1137342098.db2.gz WHSNQPQCIHHSCV-ABAIWWIYSA-N 0 1 336.363 3.544 20 5 EHBDMN COC(=O)c1csc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866541337 1137363208 /nfs/dbraw/zinc/36/32/08/1137363208.db2.gz YPZPMXKXUUYBMC-LLVKDONJSA-N 0 1 334.397 3.602 20 5 EHBDMN CCN(CC)[C@@H](CNc1ccncc1[N+](=O)[O-])c1ccccc1Cl ZINC001649159666 1137479202 /nfs/dbraw/zinc/47/92/02/1137479202.db2.gz NFZPOHZEUCKNRJ-INIZCTEOSA-N 0 1 348.834 3.560 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(CO)c1 ZINC000872033782 1137566581 /nfs/dbraw/zinc/56/65/81/1137566581.db2.gz JKQXQQRLLKURPD-LBPRGKRZSA-N 0 1 332.425 3.660 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)c1ccc(C)o1 ZINC000872038446 1137566967 /nfs/dbraw/zinc/56/69/67/1137566967.db2.gz NQLHLVJMWZTTFF-BXUZGUMPSA-N 0 1 336.413 3.602 20 5 EHBDMN C[C@H](NC[C@@H]1OCCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872046287 1137567557 /nfs/dbraw/zinc/56/75/57/1137567557.db2.gz WDSIRNRBANZDAJ-SJCJKPOMSA-N 0 1 330.359 3.699 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000872052439 1137568148 /nfs/dbraw/zinc/56/81/48/1137568148.db2.gz RXIHSPZPDLBDHE-QWRGUYRKSA-N 0 1 349.460 3.970 20 5 EHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC000872115431 1137572207 /nfs/dbraw/zinc/57/22/07/1137572207.db2.gz KPUFZCIIECQMJH-SNVBAGLBSA-N 0 1 325.821 3.816 20 5 EHBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC000872115429 1137572218 /nfs/dbraw/zinc/57/22/18/1137572218.db2.gz KPUFZCIIECQMJH-JTQLQIEISA-N 0 1 325.821 3.816 20 5 EHBDMN COC(=O)CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000873045423 1137588824 /nfs/dbraw/zinc/58/88/24/1137588824.db2.gz DYSTXUQWTQIVKX-KRWDZBQOSA-N 0 1 342.395 3.687 20 5 EHBDMN CCOc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1OC ZINC000873183932 1137592966 /nfs/dbraw/zinc/59/29/66/1137592966.db2.gz RHEGLQHGLWONKD-ZDUSSCGKSA-N 0 1 330.384 3.853 20 5 EHBDMN Cc1ccc(OC[C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000876986858 1137666926 /nfs/dbraw/zinc/66/69/26/1137666926.db2.gz LZNUSYRCGFFULH-CYBMUJFWSA-N 0 1 341.367 3.602 20 5 EHBDMN Cc1ccc(OC[C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000876986859 1137667072 /nfs/dbraw/zinc/66/70/72/1137667072.db2.gz LZNUSYRCGFFULH-ZDUSSCGKSA-N 0 1 341.367 3.602 20 5 EHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC(CCCO)CC1 ZINC000877194191 1137672645 /nfs/dbraw/zinc/67/26/45/1137672645.db2.gz CUGNXCRUXQDQDK-UHFFFAOYSA-N 0 1 346.349 3.598 20 5 EHBDMN O=[N+]([O-])c1ccc(CNCc2cccc3c2CCOC3)cc1Cl ZINC000877697282 1137686178 /nfs/dbraw/zinc/68/61/78/1137686178.db2.gz DUKDXOWNJQFGPI-UHFFFAOYSA-N 0 1 332.787 3.611 20 5 EHBDMN CC(C)CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000877966798 1137697402 /nfs/dbraw/zinc/69/74/02/1137697402.db2.gz WHFVKPKJQJZPDS-UHFFFAOYSA-N 0 1 330.388 3.655 20 5 EHBDMN C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886229366 1138061186 /nfs/dbraw/zinc/06/11/86/1138061186.db2.gz ONNZXVJDZOMKCW-JTQLQIEISA-N 0 1 345.790 3.713 20 5 EHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)OCCO2 ZINC000283030996 1138925499 /nfs/dbraw/zinc/92/54/99/1138925499.db2.gz HRIYSOLCYIELKL-HNNXBMFYSA-N 0 1 346.358 3.746 20 5 EHBDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000177882038 1139650516 /nfs/dbraw/zinc/65/05/16/1139650516.db2.gz JFNWUTCNRIJLGJ-CQSZACIVSA-N 0 1 341.411 3.504 20 5 EHBDMN COc1ccc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1O ZINC000182840913 1139995957 /nfs/dbraw/zinc/99/59/57/1139995957.db2.gz JTQUKYLVEKBBKB-CYBMUJFWSA-N 0 1 330.384 3.810 20 5 EHBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)c1cccc(F)c1 ZINC000267252566 1140772252 /nfs/dbraw/zinc/77/22/52/1140772252.db2.gz ZSSGJPFCSOWWBK-QFYYESIMSA-N 0 1 338.766 3.599 20 5 EHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000267361075 1140782471 /nfs/dbraw/zinc/78/24/71/1140782471.db2.gz IGARZAJOZRCDQQ-RDJZCZTQSA-N 0 1 348.443 3.706 20 5 EHBDMN Cc1ccc([C@H](C)NC(=O)c2sccc2CN(C)C)cc1[N+](=O)[O-] ZINC000268183602 1140898622 /nfs/dbraw/zinc/89/86/22/1140898622.db2.gz WLCOKEDRDUBHEE-LBPRGKRZSA-N 0 1 347.440 3.517 20 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20 5 EHBDMN CC(C)[C@H](CO)N(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000118846846 1017965290 /nfs/dbraw/zinc/96/52/90/1017965290.db2.gz SAFLQSGDAWYJIE-INIZCTEOSA-N 0 1 334.441 3.675 20 5 EHBDMN CC[C@](C)(NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000892972294 1018009949 /nfs/dbraw/zinc/00/99/49/1018009949.db2.gz IPYHIMDEGRRNFV-SFHVURJKSA-N 0 1 330.384 3.724 20 5 EHBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000122709743 1018570671 /nfs/dbraw/zinc/57/06/71/1018570671.db2.gz QNYMJPRYRJEXMZ-INIZCTEOSA-N 0 1 334.803 3.804 20 5 EHBDMN COc1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000025447889 1018981533 /nfs/dbraw/zinc/98/15/33/1018981533.db2.gz QWVVMFCSNMGONE-ZDUSSCGKSA-N 0 1 330.384 3.805 20 5 EHBDMN CCC(CC)N(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC000580395840 1019264444 /nfs/dbraw/zinc/26/44/44/1019264444.db2.gz KOQUKDAZOVJDSO-UHFFFAOYSA-N 0 1 342.399 3.778 20 5 EHBDMN Cn1ccnc1[C@H](NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000513656616 1019910678 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EHBDMN O=[N+]([O-])c1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000301293617 1127735527 /nfs/dbraw/zinc/73/55/27/1127735527.db2.gz WEBDZMDMOCAHHJ-CQSZACIVSA-N 0 1 346.818 3.720 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(N2CCCC2)c1 ZINC000131433197 1127767820 /nfs/dbraw/zinc/76/78/20/1127767820.db2.gz YVRNKMMRSKYMOU-OAHLLOKOSA-N 0 1 340.427 3.749 20 5 EHBDMN CCOc1cc(NCCN2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000301514983 1128485091 /nfs/dbraw/zinc/48/50/91/1128485091.db2.gz JOVDYFHZGNRTLU-UHFFFAOYSA-N 0 1 347.440 3.525 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(Sc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000301553873 1128496402 /nfs/dbraw/zinc/49/64/02/1128496402.db2.gz HPTNMWHYNXJWPA-UHFFFAOYSA-N 0 1 330.344 3.979 20 5 EHBDMN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000301636022 1128777234 /nfs/dbraw/zinc/77/72/34/1128777234.db2.gz WRDYUQICNGYRKI-TZMCWYRMSA-N 0 1 346.818 3.718 20 5 EHBDMN Cc1cc(NC[C@H](C)N2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000301067610 1121302535 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CN1CC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000301827771 1129143519 /nfs/dbraw/zinc/14/35/19/1129143519.db2.gz FUTNLCPLXOIZSC-NVXWUHKLSA-N 0 1 333.338 3.730 20 5 EHBDMN COc1cc(CN2CCCC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000170872737 1123928935 /nfs/dbraw/zinc/92/89/35/1123928935.db2.gz YWZZPFXVYIPLJY-UHFFFAOYSA-N 0 1 330.331 3.579 20 5 EHBDMN Cc1cc(N2CCC(OC(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543048101 1129162991 /nfs/dbraw/zinc/16/29/91/1129162991.db2.gz RZFHFZCRMPMKBE-UHFFFAOYSA-N 0 1 329.400 3.845 20 5 EHBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(F)c1F ZINC000182001642 1125110726 /nfs/dbraw/zinc/11/07/26/1125110726.db2.gz ZBTFPVGQNAVPHV-NSHDSACASA-N 0 1 349.337 3.552 20 5 EHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccsc1 ZINC000619782826 1125404142 /nfs/dbraw/zinc/40/41/42/1125404142.db2.gz LKTQVICATSUHAH-SECBINFHSA-N 0 1 339.804 3.599 20 5 EHBDMN C[C@H]1CO[C@@H](c2ccccc2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000066851866 1129216487 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1130206194 /nfs/dbraw/zinc/20/61/94/1130206194.db2.gz OPFGIHAZDSFTNJ-AWEZNQCLSA-N 0 1 339.395 3.572 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC(F)(F)CC2)c1F ZINC001173180687 1131992745 /nfs/dbraw/zinc/99/27/45/1131992745.db2.gz LWRVMAZTYDEPQW-LLVKDONJSA-N 0 1 346.349 3.795 20 5 EHBDMN CN(CCc1ccc2c(c1)CCO2)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000744385369 1132085591 /nfs/dbraw/zinc/08/55/91/1132085591.db2.gz YTFYYYYCRJPRFI-UHFFFAOYSA-N 0 1 346.814 3.858 20 5 EHBDMN CCOc1cc(CN2CCSC[C@@H]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC001175698487 1132729413 /nfs/dbraw/zinc/72/94/13/1132729413.db2.gz PTBUPLDDVYUNOT-MRXNPFEDSA-N 0 1 338.473 3.957 20 5 EHBDMN CC(C)c1ccc(CNCc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC001179658375 1133267336 /nfs/dbraw/zinc/26/73/36/1133267336.db2.gz HAADNWPQQWGVKX-UHFFFAOYSA-N 0 1 326.396 3.943 20 5 EHBDMN COc1ccc(CN(Cc2ccc([N+](=O)[O-])c(F)c2)C2CC2)cc1 ZINC000788469584 1134129002 /nfs/dbraw/zinc/12/90/02/1134129002.db2.gz HBRVTGGXLPWPKP-UHFFFAOYSA-N 0 1 330.359 3.907 20 5 EHBDMN CCOCCS(=O)(=O)Nc1c2ccccc2cc2ccccc21 ZINC001187292577 1134320825 /nfs/dbraw/zinc/32/08/25/1134320825.db2.gz ZYFNENJDGDZKSJ-UHFFFAOYSA-N 0 1 329.421 3.771 20 5 EHBDMN Cc1cc(N2CCN[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])s1 ZINC001187931640 1134402007 /nfs/dbraw/zinc/40/20/07/1134402007.db2.gz LHBNOVHRESVZSJ-ZDUSSCGKSA-N 0 1 337.832 3.769 20 5 EHBDMN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000804448904 1135079932 /nfs/dbraw/zinc/07/99/32/1135079932.db2.gz RMVTZGPVRMBSOO-UHFFFAOYSA-N 0 1 347.718 3.645 20 5 EHBDMN CC(C)C1(C)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001193616529 1135159431 /nfs/dbraw/zinc/15/94/31/1135159431.db2.gz OHIGVGQCTJMESO-CQSZACIVSA-N 0 1 333.432 3.680 20 5 EHBDMN Cc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC001193932706 1135200723 /nfs/dbraw/zinc/20/07/23/1135200723.db2.gz RLJPSAMBSKZFRR-GOEBONIOSA-N 0 1 326.396 3.987 20 5 EHBDMN Cc1c(CN[C@H](Cn2ccnc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC001197263913 1135667049 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EHBDMN COc1cc(CN[C@H](C)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000852782789 1136486337 /nfs/dbraw/zinc/48/63/37/1136486337.db2.gz WEVKHNLPUGAFTH-CYBMUJFWSA-N 0 1 342.395 3.779 20 5 EHBDMN CCC1(CC)CCN(Cn2nc(C)c3cc([N+](=O)[O-])cnc32)CC1 ZINC000776772524 1136659121 /nfs/dbraw/zinc/65/91/21/1136659121.db2.gz QLVMXIMTMQWODB-UHFFFAOYSA-N 0 1 331.420 3.508 20 5 EHBDMN CCN(CC)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173335436 1136775855 /nfs/dbraw/zinc/77/58/55/1136775855.db2.gz KANVTYPZJXJFLC-CQSZACIVSA-N 0 1 328.416 3.687 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858014451 1136931295 /nfs/dbraw/zinc/93/12/95/1136931295.db2.gz LKFVOUMUNOEPGK-GOSISDBHSA-N 0 1 339.395 3.521 20 5 EHBDMN Cc1ccc(O[C@@H]2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nc1 ZINC000858030879 1136933721 /nfs/dbraw/zinc/93/37/21/1136933721.db2.gz BZNAVAYJTYHFIJ-WMLDXEAASA-N 0 1 327.384 3.513 20 5 EHBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000823590558 1137105177 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EHBDMN C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070709 1137569655 /nfs/dbraw/zinc/56/96/55/1137569655.db2.gz HHMBKSZYOUBVRQ-BLLLJJGKSA-N 0 1 349.381 3.827 20 5 EHBDMN C[C@@H]1CCCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877936029 1137696246 /nfs/dbraw/zinc/69/62/46/1137696246.db2.gz QLYJIGUVYYNEDL-SNVBAGLBSA-N 0 1 336.779 3.673 20 5 EHBDMN Cn1cc(CN[C@H](c2ccccc2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000878327023 1137711167 /nfs/dbraw/zinc/71/11/67/1137711167.db2.gz XJANHTTVJIFZLQ-QGZVFWFLSA-N 0 1 328.416 3.740 20 5 EHBDMN CCCCc1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000110166556 1137899613 /nfs/dbraw/zinc/89/96/13/1137899613.db2.gz UJWUEQKSJAXQSA-UHFFFAOYSA-N 0 1 340.792 3.695 20 5 EHBDMN Cc1cc(N2CCC[C@H](c3ncccn3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000884711550 1137970028 /nfs/dbraw/zinc/97/00/28/1137970028.db2.gz RGSYIHHSKRVVFV-AWEZNQCLSA-N 0 1 349.394 3.625 20 5 EHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000886048966 1138035166 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EHBDMN CC(C)C(C)(C)CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000275823011 1018993589 /nfs/dbraw/zinc/99/35/89/1018993589.db2.gz FKLGTANDGRXWND-MRXNPFEDSA-N 0 1 330.432 3.690 20 5 EHBDMN COC(=O)c1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C(C)C ZINC000894192633 1019104467 /nfs/dbraw/zinc/10/44/67/1019104467.db2.gz HAMSXTAQVADYMU-GFCCVEGCSA-N 0 1 345.399 3.684 20 5 EHBDMN O=[N+]([O-])c1ccc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)cn1 ZINC000513168181 1019360323 /nfs/dbraw/zinc/36/03/23/1019360323.db2.gz XVSHDEZTVOEYMM-MRXNPFEDSA-N 0 1 346.818 3.892 20 5 EHBDMN CC[C@H](C)N(Cc1ccccc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433769880 1019582039 /nfs/dbraw/zinc/58/20/39/1019582039.db2.gz YVGYKPVRBHSUQR-ZDUSSCGKSA-N 0 1 344.415 3.882 20 5 EHBDMN C[C@H](ONC(=O)C(C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000160807049 1020516062 /nfs/dbraw/zinc/51/60/62/1020516062.db2.gz BLIXNTLIWXJTMC-ZDUSSCGKSA-N 0 1 328.368 3.681 20 5 EHBDMN Cc1ccc([C@H](C)N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(C)c1 ZINC000341253568 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O=C(NCC1(C2CCCCC2)CCCCC1)c1n[nH]cc1[N+](=O)[O-] ZINC000499071208 1123185634 /nfs/dbraw/zinc/18/56/34/1123185634.db2.gz CDRMKVDYOZSQPQ-UHFFFAOYSA-N 0 1 334.420 3.579 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCNc2ccnc3cc(F)ccc32)cc1 ZINC000609595509 1123613919 /nfs/dbraw/zinc/61/39/19/1123613919.db2.gz GDKDYJHPUBJCNX-UHFFFAOYSA-N 0 1 327.315 3.773 20 5 EHBDMN CC(C)(C)c1coc(CNCCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000922134634 1129139869 /nfs/dbraw/zinc/13/98/69/1129139869.db2.gz QFRHCFZDQSMSKN-UHFFFAOYSA-N 0 1 342.399 3.694 20 5 EHBDMN Cc1cc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(C)s1 ZINC000195674308 1123712321 /nfs/dbraw/zinc/71/23/21/1123712321.db2.gz GGNPVNYYGBJAOK-UHFFFAOYSA-N 0 1 331.441 3.595 20 5 EHBDMN Cc1ccc(Nc2cccc(N3CCC[NH+]=C3[O-])c2)c([N+](=O)[O-])c1 ZINC000301822059 1129141016 /nfs/dbraw/zinc/14/10/16/1129141016.db2.gz MMIUPNDJPTZGGK-UHFFFAOYSA-N 0 1 326.356 3.567 20 5 EHBDMN CC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000180626359 1124037383 /nfs/dbraw/zinc/03/73/83/1124037383.db2.gz IGLKNYFGLHRHDL-HNNXBMFYSA-N 0 1 346.358 3.746 20 5 EHBDMN CCCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H](C)c1ccc(C)o1 ZINC000618199284 1125022022 /nfs/dbraw/zinc/02/20/22/1125022022.db2.gz FBJPMQOLPVQFLV-LBPRGKRZSA-N 0 1 348.403 3.785 20 5 EHBDMN Cc1cccc2nc(CNc3ccc([N+](=O)[O-])c(OC(F)F)c3)[nH]c21 ZINC000301900103 1129291088 /nfs/dbraw/zinc/29/10/88/1129291088.db2.gz UJIOUQQDDQAKRY-UHFFFAOYSA-N 0 1 348.309 3.993 20 5 EHBDMN CC[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000117342442 1129434998 /nfs/dbraw/zinc/43/49/98/1129434998.db2.gz XSLIRELBMMPVBM-CYBMUJFWSA-N 0 1 330.388 3.657 20 5 EHBDMN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000056197487 1129805585 /nfs/dbraw/zinc/80/55/85/1129805585.db2.gz ZJTMPGSPXXTJMJ-UONOGXRCSA-N 0 1 341.411 3.835 20 5 EHBDMN Cc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197054 1129806192 /nfs/dbraw/zinc/80/61/92/1129806192.db2.gz NIERJRYGWWOUAO-ZIAGYGMSSA-N 0 1 327.384 3.581 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCc2nc(C)ncc21 ZINC000766045807 1129935701 /nfs/dbraw/zinc/93/57/01/1129935701.db2.gz VXBJXQCNXVMYRN-SJKOYZFVSA-N 0 1 326.400 3.730 20 5 EHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173344053 1130213993 /nfs/dbraw/zinc/21/39/93/1130213993.db2.gz OYXYCPZTUGJZQX-NSHDSACASA-N 0 1 333.775 3.538 20 5 EHBDMN CCC[C@@]1(C)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000173663223 1130278673 /nfs/dbraw/zinc/27/86/73/1130278673.db2.gz WHPJULYBJPSUCP-KRWDZBQOSA-N 0 1 330.388 3.514 20 5 EHBDMN Cn1cccc1[C@@H]1CCCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000175119273 1130408219 /nfs/dbraw/zinc/40/82/19/1130408219.db2.gz WIISSNNKKXXUSZ-INIZCTEOSA-N 0 1 329.400 3.539 20 5 EHBDMN C[C@@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000741021845 1131570836 /nfs/dbraw/zinc/57/08/36/1131570836.db2.gz QGCGTCIVXUNFRA-TUAOUCFPSA-N 0 1 340.807 3.553 20 5 EHBDMN CCOCC(C)(C)CNCc1c(Br)cccc1[N+](=O)[O-] ZINC001178836031 1133203120 /nfs/dbraw/zinc/20/31/20/1133203120.db2.gz QTAAAEKHPNOJPP-UHFFFAOYSA-N 0 1 345.237 3.510 20 5 EHBDMN CC(=O)c1ccc2c(c1)CCN(Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000770379220 1133416896 /nfs/dbraw/zinc/41/68/96/1133416896.db2.gz JLSXFGQNDZCPCI-UHFFFAOYSA-N 0 1 338.407 3.707 20 5 EHBDMN CC[C@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC001184820428 1133994651 /nfs/dbraw/zinc/99/46/51/1133994651.db2.gz JUCBNHYPZHXCRG-LLVKDONJSA-N 0 1 342.237 3.644 20 5 EHBDMN CC1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CCS1 ZINC000788377394 1134119168 /nfs/dbraw/zinc/11/91/68/1134119168.db2.gz UJYQGRSCLIUNIA-UHFFFAOYSA-N 0 1 346.456 3.633 20 5 EHBDMN COC[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000788796781 1134170190 /nfs/dbraw/zinc/17/01/90/1134170190.db2.gz VALAHSBJEWIJKP-BDJLRTHQSA-N 0 1 349.818 3.869 20 5 EHBDMN Cc1c(CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cccc1[N+](=O)[O-] ZINC000792912187 1134823350 /nfs/dbraw/zinc/82/33/50/1134823350.db2.gz YXFLRGCSLQBZJY-KGLIPLIRSA-N 0 1 329.227 3.919 20 5 EHBDMN C[C@H](c1ccccc1)N(CCO)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001192358023 1135005657 /nfs/dbraw/zinc/00/56/57/1135005657.db2.gz CRDROILHPYCFCX-CYBMUJFWSA-N 0 1 334.803 3.804 20 5 EHBDMN CC(C)(C)OC(=O)CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001194477856 1135276274 /nfs/dbraw/zinc/27/62/74/1135276274.db2.gz RNVGJJPAIJFRMW-HNNXBMFYSA-N 0 1 334.416 3.506 20 5 EHBDMN O=[N+]([O-])c1ccc(Br)c(CN2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001197021457 1135642284 /nfs/dbraw/zinc/64/22/84/1135642284.db2.gz WPAADDHERQPZQC-TXEJJXNPSA-N 0 1 337.217 3.755 20 5 EHBDMN Cc1cc(C)c2c(c1)CCN(CCOc1ccccc1[N+](=O)[O-])C2 ZINC001198852312 1135860798 /nfs/dbraw/zinc/86/07/98/1135860798.db2.gz POVMRHGFOFDETH-UHFFFAOYSA-N 0 1 326.396 3.649 20 5 EHBDMN CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812854327 1136262589 /nfs/dbraw/zinc/26/25/89/1136262589.db2.gz XEZHGCFAYGZBHH-SCLBCKFNSA-N 0 1 332.375 3.678 20 5 EHBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC3(CCCC3)[C@H]2c2ccco2)c1 ZINC000852426871 1136455458 /nfs/dbraw/zinc/45/54/58/1136455458.db2.gz PURCLXDHKAYYCH-FUHWJXTLSA-N 0 1 342.395 3.839 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013479 1136930970 /nfs/dbraw/zinc/93/09/70/1136930970.db2.gz CYIMXRYHFJUGAR-KRWDZBQOSA-N 0 1 339.395 3.521 20 5 EHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]3COCC[C@@H]32)c1 ZINC000339015683 1136995350 /nfs/dbraw/zinc/99/53/50/1136995350.db2.gz WPCFZVODFYIFHG-NHYWBVRUSA-N 0 1 344.333 3.615 20 5 EHBDMN COc1cccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1OC(C)C ZINC000865786730 1137312045 /nfs/dbraw/zinc/31/20/45/1137312045.db2.gz UHMXBRAILFDKMO-UHFFFAOYSA-N 0 1 344.411 3.989 20 5 EHBDMN CCC[C@H](CCc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001147814492 1137412949 /nfs/dbraw/zinc/41/29/49/1137412949.db2.gz HNVOPGYFJTWCEO-MRXNPFEDSA-N 0 1 342.395 3.832 20 5 EHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000339085497 1137431729 /nfs/dbraw/zinc/43/17/29/1137431729.db2.gz MRKAFWBRJMOHQK-GFCCVEGCSA-N 0 1 339.351 3.806 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCNC2(c3ccccc3Cl)CC2)cc1 ZINC001171471166 1137492841 /nfs/dbraw/zinc/49/28/41/1137492841.db2.gz PCGFRDKYIQOUGG-UHFFFAOYSA-N 0 1 332.787 3.906 20 5 EHBDMN Cc1nc2ccccc2n1CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018914 1137564955 /nfs/dbraw/zinc/56/49/55/1137564955.db2.gz QZQORWBWZQEGAL-GFCCVEGCSA-N 0 1 342.374 3.743 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)c1cn(C)nc1C ZINC000872030722 1137566325 /nfs/dbraw/zinc/56/63/25/1137566325.db2.gz BBSPXCQHEHIJOQ-WDEREUQCSA-N 0 1 334.445 3.770 20 5 EHBDMN Cc1cccn2cc(CCN[C@@H](C)c3c(F)cccc3[N+](=O)[O-])nc12 ZINC000872041421 1137567033 /nfs/dbraw/zinc/56/70/33/1137567033.db2.gz SRSCECLISDDAIQ-ZDUSSCGKSA-N 0 1 342.374 3.583 20 5 EHBDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872067326 1137569493 /nfs/dbraw/zinc/56/94/93/1137569493.db2.gz XQBUMJJSYFDRHS-DCAQKATOSA-N 0 1 335.383 3.777 20 5 EHBDMN Cc1cccc2nc(CCN[C@H](C)c3c(F)cccc3[N+](=O)[O-])cn21 ZINC000872080548 1137570161 /nfs/dbraw/zinc/57/01/61/1137570161.db2.gz AFDSUCOXJRARIW-CYBMUJFWSA-N 0 1 342.374 3.583 20 5 EHBDMN C[C@@H](NC[C@H]1c2ccccc2CN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091963 1137570876 /nfs/dbraw/zinc/57/08/76/1137570876.db2.gz KRQJEEJQUOAXAH-PXAZEXFGSA-N 0 1 329.375 3.571 20 5 EHBDMN CCCCn1cc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c(C)n1 ZINC000873100107 1137590132 /nfs/dbraw/zinc/59/01/32/1137590132.db2.gz KGYVXCYMAGDMIC-UHFFFAOYSA-N 0 1 330.432 3.806 20 5 EHBDMN C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1(C)C ZINC000878432926 1137715773 /nfs/dbraw/zinc/71/57/73/1137715773.db2.gz MNLGRBWALMVLAF-GFCCVEGCSA-N 0 1 330.388 3.513 20 5 EHBDMN COc1ccc([C@@H](CCO)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000120324719 1137948577 /nfs/dbraw/zinc/94/85/77/1137948577.db2.gz FDNGOAAVGDLNBH-KBXCAEBGSA-N 0 1 344.411 3.686 20 5 EHBDMN COc1cc2c(cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 ZINC000132100208 1138561963 /nfs/dbraw/zinc/56/19/63/1138561963.db2.gz XVXCKEPGDHDXSJ-STQMWFEESA-N 0 1 342.395 3.778 20 5 EHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000271454717 1141372087 /nfs/dbraw/zinc/37/20/87/1141372087.db2.gz GPHBILIPEDXGEK-WDVBMNPBSA-N 0 1 332.425 3.744 20 5 EHBDMN COc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000274256172 1141490636 /nfs/dbraw/zinc/49/06/36/1141490636.db2.gz LKBBZEXXRYBOIJ-KRWDZBQOSA-N 0 1 328.368 3.525 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCn2c(cc3ccccc32)C1 ZINC000339205160 1141527981 /nfs/dbraw/zinc/52/79/81/1141527981.db2.gz YCHKTKNSSVQZOQ-UHFFFAOYSA-N 0 1 337.379 3.661 20 5 EHBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000263531708 604677485 /nfs/dbraw/zinc/67/74/85/604677485.db2.gz WWOAELAIQBIDRV-QGZVFWFLSA-N 0 1 346.408 3.620 20 5 EHBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001603391309 973008788 /nfs/dbraw/zinc/00/87/88/973008788.db2.gz JPIRLHCMUVHGKY-IUCAKERBSA-N 0 1 347.198 3.587 20 5 EHBDMN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001603391309 973008799 /nfs/dbraw/zinc/00/87/99/973008799.db2.gz JPIRLHCMUVHGKY-IUCAKERBSA-N 0 1 347.198 3.587 20 5 EHBDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414672718 973946602 /nfs/dbraw/zinc/94/66/02/973946602.db2.gz CJRPJSGJIYLZKL-GFCCVEGCSA-N 0 1 332.356 3.540 20 5 EHBDMN O=C([O-])c1sccc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000569744708 974697814 /nfs/dbraw/zinc/69/78/14/974697814.db2.gz LDXKGLZQORZCFX-ZDUSSCGKSA-N 0 1 346.408 3.734 20 5 EHBDMN Cc1ccc(NC(=O)c2c[nH]nc2-c2ccsc2)cc1[N+](=O)[O-] ZINC000186931749 1014614768 /nfs/dbraw/zinc/61/47/68/1014614768.db2.gz VRQMYTVZXKJXST-UHFFFAOYSA-N 0 1 328.353 3.607 20 5 EHBDMN CCc1oc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C(=O)[O-] ZINC000901419303 980266655 /nfs/dbraw/zinc/26/66/55/980266655.db2.gz YUHHFZIDJVGCND-UHFFFAOYSA-N 0 1 344.367 3.613 20 5 EHBDMN CCc1oc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1C(=O)[O-] ZINC000901419303 980266662 /nfs/dbraw/zinc/26/66/62/980266662.db2.gz YUHHFZIDJVGCND-UHFFFAOYSA-N 0 1 344.367 3.613 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000901522157 980340082 /nfs/dbraw/zinc/34/00/82/980340082.db2.gz LIJYVKYIDNZOJR-AWEZNQCLSA-N 0 1 334.416 3.534 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000901523860 980345317 /nfs/dbraw/zinc/34/53/17/980345317.db2.gz ZPIVJYFVOHWPGP-DKGMDFAASA-N 0 1 346.427 3.821 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@]1(C)CCCc2ccccc21 ZINC000430207426 1014935521 /nfs/dbraw/zinc/93/55/21/1014935521.db2.gz ZPSKPMXVOYYQCR-IBGZPJMESA-N 0 1 326.396 3.945 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CC1(c2ccccc2)CC1 ZINC000430245514 1015225636 /nfs/dbraw/zinc/22/56/36/1015225636.db2.gz SXLYZDSWFDXHTD-UHFFFAOYSA-N 0 1 326.396 3.767 20 5 EHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001598502042 992447603 /nfs/dbraw/zinc/44/76/03/992447603.db2.gz NEFRRIIYDLBCPU-MRXNPFEDSA-N 0 1 348.786 3.548 20 5 EHBDMN Cc1cc(C)c(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000154969916 1016007513 /nfs/dbraw/zinc/00/75/13/1016007513.db2.gz BRIMWDWSDJHQDZ-HNNXBMFYSA-N 0 1 341.411 3.809 20 5 EHBDMN CN(C)Cc1cnc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)s1 ZINC000349106329 1016048070 /nfs/dbraw/zinc/04/80/70/1016048070.db2.gz IBNDWNLNFLIVGS-AATRIKPKSA-N 0 1 346.437 3.893 20 5 EHBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1nc2c(s1)CCCC2 ZINC000175536707 1016347076 /nfs/dbraw/zinc/34/70/76/1016347076.db2.gz LERVAOXHVSYOBM-UHFFFAOYSA-N 0 1 331.441 3.605 20 5 EHBDMN COc1cc(C(=O)Nc2cccc(Cl)c2O)cc([N+](=O)[O-])c1C ZINC000189803694 1016724105 /nfs/dbraw/zinc/72/41/05/1016724105.db2.gz IIPMTVFPXJFXDD-UHFFFAOYSA-N 0 1 336.731 3.523 20 5 EHBDMN CC[C@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000449470468 1032588574 /nfs/dbraw/zinc/58/85/74/1032588574.db2.gz AQWRMRMAQGOVKG-MRXNPFEDSA-N 0 1 335.429 3.623 20 5 EHBDMN CC(C)(C)OC(=O)c1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210397728 1017956954 /nfs/dbraw/zinc/95/69/54/1017956954.db2.gz FWEFPZKQDRJGOS-UHFFFAOYSA-N 0 1 330.340 3.999 20 5 EHBDMN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1F ZINC000594019737 1032792037 /nfs/dbraw/zinc/79/20/37/1032792037.db2.gz SLZXFHSFUSRKHM-MRXNPFEDSA-N 0 1 345.374 3.722 20 5 EHBDMN CCN(CC)Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000592415911 1032793353 /nfs/dbraw/zinc/79/33/53/1032793353.db2.gz VWVCJVHZXJYBMO-UHFFFAOYSA-N 0 1 331.372 3.590 20 5 EHBDMN COc1ccc(OC)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000120603126 1019087035 /nfs/dbraw/zinc/08/70/35/1019087035.db2.gz ODPPNYVUBAOZQJ-CYBMUJFWSA-N 0 1 330.384 3.771 20 5 EHBDMN Cc1c(CN[C@@H](Cn2cccn2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000610433074 1019094085 /nfs/dbraw/zinc/09/40/85/1019094085.db2.gz VMDKBAGMOXNNHL-SFHVURJKSA-N 0 1 336.395 3.631 20 5 EHBDMN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(OC(F)F)c1 ZINC000433802582 1019646740 /nfs/dbraw/zinc/64/67/40/1019646740.db2.gz JPWCLJLDDYUXOH-ZDUSSCGKSA-N 0 1 341.358 3.625 20 5 EHBDMN Cc1[nH]nc2cc(NC(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc12 ZINC000091826507 1019728028 /nfs/dbraw/zinc/72/80/28/1019728028.db2.gz HYTIERUHXUWVDV-UHFFFAOYSA-N 0 1 330.731 3.685 20 5 EHBDMN C[C@@H]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513652425 1019905834 /nfs/dbraw/zinc/90/58/34/1019905834.db2.gz AJXSEZNNWNOIOU-KYJSFNMBSA-N 0 1 342.443 3.834 20 5 EHBDMN C[C@H]1COC[C@@H](c2ccccc2)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000501038374 1020674959 /nfs/dbraw/zinc/67/49/59/1020674959.db2.gz JFAJFLWKWHLHFY-KXBFYZLASA-N 0 1 326.396 3.599 20 5 EHBDMN Cc1cc(Cc2noc(-c3ccc(Cl)cc3O)n2)ccc1[N+](=O)[O-] ZINC000436952737 1021419821 /nfs/dbraw/zinc/41/98/21/1021419821.db2.gz YOHBYTGPXNNTKO-UHFFFAOYSA-N 0 1 345.742 3.903 20 5 EHBDMN CCC[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000120889533 1021479982 /nfs/dbraw/zinc/47/99/82/1021479982.db2.gz UIYKGCGAQAASDV-ZDUSSCGKSA-N 0 1 330.388 3.657 20 5 EHBDMN COc1cccc([C@@H]2C[C@H](C)C[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000518991401 1021759993 /nfs/dbraw/zinc/75/99/93/1021759993.db2.gz JGCQMTMRXJTXEI-DJJJIMSYSA-N 0 1 342.395 3.892 20 5 EHBDMN Cc1cccc([C@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])c1C ZINC000178205917 1022147440 /nfs/dbraw/zinc/14/74/40/1022147440.db2.gz MJFMATZBAWYUTN-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN Cc1ccc2c(c1)nc(CNC/C=C/c1ccccc1[N+](=O)[O-])n2C ZINC000187590629 1022369372 /nfs/dbraw/zinc/36/93/72/1022369372.db2.gz FFOHUWACFGFGBW-FNORWQNLSA-N 0 1 336.395 3.593 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CCOc2c(F)cccc21 ZINC000438482206 1022704502 /nfs/dbraw/zinc/70/45/02/1022704502.db2.gz XMUFFMCHDLEWCR-DQOPKJQZSA-N 0 1 328.343 3.861 20 5 EHBDMN COCC1(C2CC2)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000602730236 1033120492 /nfs/dbraw/zinc/12/04/92/1033120492.db2.gz AGLSLDFHHGPXAT-UHFFFAOYSA-N 0 1 342.395 3.713 20 5 EHBDMN CCOc1cc(CN2CCC[C@@H]2c2c(C)n[nH]c2C)ccc1[N+](=O)[O-] ZINC000276960202 1023478496 /nfs/dbraw/zinc/47/84/96/1023478496.db2.gz VIOOYRKPWKFGGN-MRXNPFEDSA-N 0 1 344.415 3.671 20 5 EHBDMN CC(C)c1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000091960528 1024227543 /nfs/dbraw/zinc/22/75/43/1024227543.db2.gz MVSOINKKYRPZFS-KXBFYZLASA-N 0 1 342.443 3.998 20 5 EHBDMN CC(C)c1ccc(CN2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000091960528 1024227559 /nfs/dbraw/zinc/22/75/59/1024227559.db2.gz MVSOINKKYRPZFS-KXBFYZLASA-N 0 1 342.443 3.998 20 5 EHBDMN CC[C@H](NCC(=O)N(C)[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342278776 1024701161 /nfs/dbraw/zinc/70/11/61/1024701161.db2.gz FTLXXHFCXIBESF-JCGIZDLHSA-N 0 1 347.459 3.673 20 5 EHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc(C(C)=O)cc2[N+](=O)[O-])n[nH]1 ZINC000277388536 1024890810 /nfs/dbraw/zinc/89/08/10/1024890810.db2.gz JHBSXUXTFXNZPH-UWVGGRQHSA-N 0 1 331.376 3.602 20 5 EHBDMN O=C(Nc1cc(F)cc(Cl)c1O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000474430436 1024954199 /nfs/dbraw/zinc/95/41/99/1024954199.db2.gz FHMYXXLSYHSPDX-UHFFFAOYSA-N 0 1 345.113 3.999 20 5 EHBDMN CCc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451104125 1025567763 /nfs/dbraw/zinc/56/77/63/1025567763.db2.gz KDOCUGVTWCEVHD-KBPBESRZSA-N 0 1 341.411 3.835 20 5 EHBDMN Cc1ccc(NC(=O)c2ccc(Nc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000522849971 1025787053 /nfs/dbraw/zinc/78/70/53/1025787053.db2.gz QMNWGYYNZMUAJM-UHFFFAOYSA-N 0 1 348.362 3.716 20 5 EHBDMN COc1ccc([C@@H](OC)[C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478352782 1026083099 /nfs/dbraw/zinc/08/30/99/1026083099.db2.gz LECJWEURXDILLX-XIKOKIGWSA-N 0 1 348.374 3.608 20 5 EHBDMN CC(C)CN1Cc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C1 ZINC000158336462 1026327629 /nfs/dbraw/zinc/32/76/29/1026327629.db2.gz TXXKQGWCVPKRLV-UHFFFAOYSA-N 0 1 339.395 3.819 20 5 EHBDMN Cc1ccc(CN[C@@H](CCO)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000288537949 1026383660 /nfs/dbraw/zinc/38/36/60/1026383660.db2.gz WLQLWQSVXNNKIS-INIZCTEOSA-N 0 1 334.803 3.770 20 5 EHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@]2(CCSC2)C1 ZINC000451977993 1026417846 /nfs/dbraw/zinc/41/78/46/1026417846.db2.gz NZLALFPAGJGDMW-HNNXBMFYSA-N 0 1 326.849 3.967 20 5 EHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H](CCO)CC2)c1 ZINC000421018119 1028005066 /nfs/dbraw/zinc/00/50/66/1028005066.db2.gz OAYHLIVULFVGMO-LBPRGKRZSA-N 0 1 346.349 3.598 20 5 EHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000444865849 1028354081 /nfs/dbraw/zinc/35/40/81/1028354081.db2.gz SDIDDHCDZUZTLL-UHFFFAOYSA-N 0 1 339.399 3.800 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4ccccc4)n[nH]3)n2)s1 ZINC000445489038 1028852576 /nfs/dbraw/zinc/85/25/76/1028852576.db2.gz XVJADJIKQDHAII-UHFFFAOYSA-N 0 1 339.336 3.763 20 5 EHBDMN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000422059903 1029041980 /nfs/dbraw/zinc/04/19/80/1029041980.db2.gz CPRGSOUDMZMCKZ-QGZVFWFLSA-N 0 1 340.379 3.709 20 5 EHBDMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000446058375 1029369518 /nfs/dbraw/zinc/36/95/18/1029369518.db2.gz DYMMMDRCVFJWIR-SNVBAGLBSA-N 0 1 342.380 3.939 20 5 EHBDMN O=[N+]([O-])c1cc(CNCCOc2ccc(C(F)(F)F)cc2)cs1 ZINC000237845037 1029458988 /nfs/dbraw/zinc/45/89/88/1029458988.db2.gz YOTWQXADGJNVSC-UHFFFAOYSA-N 0 1 346.330 3.844 20 5 EHBDMN CC(C)C[C@@H]1CCCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434245636 1029527696 /nfs/dbraw/zinc/52/76/96/1029527696.db2.gz NGCSYLXTSHIGEG-ZDUSSCGKSA-N 0 1 336.436 3.872 20 5 EHBDMN CCc1nc(C)c(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000292184590 1029746156 /nfs/dbraw/zinc/74/61/56/1029746156.db2.gz FRBWPNPAIBNSEW-UHFFFAOYSA-N 0 1 326.356 3.922 20 5 EHBDMN CCc1ccc([C@H](NCC2(CC)COC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453351687 1030143613 /nfs/dbraw/zinc/14/36/13/1030143613.db2.gz GWYATMZCQMXIHI-GOSISDBHSA-N 0 1 344.411 3.856 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN(CCc1nccs1)C(C)C ZINC000159767738 1030357052 /nfs/dbraw/zinc/35/70/52/1030357052.db2.gz MHJHDIBVOIIUTO-UHFFFAOYSA-N 0 1 335.429 3.513 20 5 EHBDMN CC[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)N(C)C ZINC000532220602 1030487585 /nfs/dbraw/zinc/48/75/85/1030487585.db2.gz QMXVRQWOWOWKJZ-QGZVFWFLSA-N 0 1 343.383 3.666 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C[C@@H](C)O ZINC000447836900 1030526098 /nfs/dbraw/zinc/52/60/98/1030526098.db2.gz YOVHCEZXVBRMQT-GDBMZVCRSA-N 0 1 336.432 3.507 20 5 EHBDMN O=[N+]([O-])c1cccc(N2CCN([C@@H]3CCc4ccc(F)cc43)CC2)c1 ZINC000482831020 1030741342 /nfs/dbraw/zinc/74/13/42/1030741342.db2.gz ZIHUYHSKVXDOSH-LJQANCHMSA-N 0 1 341.386 3.543 20 5 EHBDMN Cc1cnccc1OC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000278532795 1031261144 /nfs/dbraw/zinc/26/11/44/1031261144.db2.gz FGYQXWMEDMVSDY-HNNXBMFYSA-N 0 1 341.411 3.903 20 5 EHBDMN COc1cc(CN(C)C2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000093475797 1031289480 /nfs/dbraw/zinc/28/94/80/1031289480.db2.gz HBFHWFYARSAWTN-UHFFFAOYSA-N 0 1 348.321 3.529 20 5 EHBDMN Cc1c(CNCc2ccc(F)c(F)c2N(C)C)cccc1[N+](=O)[O-] ZINC000598977252 1033624889 /nfs/dbraw/zinc/62/48/89/1033624889.db2.gz IFDTYVUFPNNMGR-UHFFFAOYSA-N 0 1 335.354 3.537 20 5 EHBDMN Cn1ncc(C2CC2)c1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595077875 1033695559 /nfs/dbraw/zinc/69/55/59/1033695559.db2.gz QUEWZXVFORVVSO-QGZVFWFLSA-N 0 1 340.427 3.718 20 5 EHBDMN Cn1ncc(C2CC2)c1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000595077874 1033696568 /nfs/dbraw/zinc/69/65/68/1033696568.db2.gz QUEWZXVFORVVSO-KRWDZBQOSA-N 0 1 340.427 3.718 20 5 EHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000575126873 1033867385 /nfs/dbraw/zinc/86/73/85/1033867385.db2.gz BJRCUYLDHCNUIX-UHFFFAOYSA-N 0 1 336.823 3.901 20 5 EHBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000593735529 1033901314 /nfs/dbraw/zinc/90/13/14/1033901314.db2.gz YVPDHRCUCSJVNY-VMGRFDJRSA-N 0 1 332.400 3.694 20 5 EHBDMN CC[N@@H+](CCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CCCCC1 ZINC000593755362 1033925063 /nfs/dbraw/zinc/92/50/63/1033925063.db2.gz DUQMHFMKQVRVQZ-UHFFFAOYSA-N 0 1 349.431 3.750 20 5 EHBDMN CCCN(Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000550730490 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FQZUOTBNLRXZQK-AHEZYBDSSA-N 0 1 342.443 3.832 20 5 EHBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCCO1 ZINC000271984687 1035636259 /nfs/dbraw/zinc/63/62/59/1035636259.db2.gz KMMXGIUVCSRALF-BLLLJJGKSA-N 0 1 347.440 3.766 20 5 EHBDMN CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000271415236 1035869045 /nfs/dbraw/zinc/86/90/45/1035869045.db2.gz ARLBTOQYRNVHIQ-OAHLLOKOSA-N 0 1 330.384 3.853 20 5 EHBDMN CCOc1cc(CN[C@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000492765749 1036266579 /nfs/dbraw/zinc/26/65/79/1036266579.db2.gz DNAJLSAWBXKTSF-QGZVFWFLSA-N 0 1 346.431 3.604 20 5 EHBDMN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)c(O)cc1F ZINC000492798495 1036315967 /nfs/dbraw/zinc/31/59/67/1036315967.db2.gz KQLMPTLMGARHGQ-PLNGDYQASA-N 0 1 336.706 3.745 20 5 EHBDMN CC(C)CC1(C)CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC1 ZINC000589528589 1036490982 /nfs/dbraw/zinc/49/09/82/1036490982.db2.gz XJERGZGXWVLKMS-UHFFFAOYSA-N 0 1 336.436 3.730 20 5 EHBDMN 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335.367 3.721 20 5 EHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000301949982 1129402165 /nfs/dbraw/zinc/40/21/65/1129402165.db2.gz INMAXQTYPJJJIW-MRXNPFEDSA-N 0 1 335.367 3.721 20 5 EHBDMN Cc1cc(C)cc([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)c1 ZINC000330807683 1129646234 /nfs/dbraw/zinc/64/62/34/1129646234.db2.gz JGDJWTUNLBZMKP-AWEZNQCLSA-N 0 1 340.379 3.547 20 5 EHBDMN Cc1c(CN[C@H](C)c2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] ZINC000393097010 1129736133 /nfs/dbraw/zinc/73/61/33/1129736133.db2.gz WUQKKMCHZCCCFJ-CQSZACIVSA-N 0 1 342.395 3.915 20 5 EHBDMN Cc1cc(N2CCN(c3ccccc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302201649 1129772852 /nfs/dbraw/zinc/77/28/52/1129772852.db2.gz VIHAVWFYCWWDLH-UHFFFAOYSA-N 0 1 348.406 3.778 20 5 EHBDMN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196363 1129805452 /nfs/dbraw/zinc/80/54/52/1129805452.db2.gz FOXLQVNSTPQZSJ-GJZGRUSLSA-N 0 1 341.411 3.889 20 5 EHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1cc(F)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000056197016 1129805619 /nfs/dbraw/zinc/80/56/19/1129805619.db2.gz XPPKPPRQHOSSCX-MNOVXSKESA-N 0 1 349.337 3.551 20 5 EHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000056197505 1129806161 /nfs/dbraw/zinc/80/61/61/1129806161.db2.gz DMLHTGSJHQGWEP-RYUDHWBXSA-N 0 1 347.802 3.926 20 5 EHBDMN CC(C)c1ccc(CN[C@@H](c2cnn(C)c2)C(C)C)cc1[N+](=O)[O-] ZINC000922891840 1130017830 /nfs/dbraw/zinc/01/78/30/1130017830.db2.gz LOEHJUKNVISICN-GOSISDBHSA-N 0 1 330.432 3.939 20 5 EHBDMN CCC[C@]1(C)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000173663212 1130278367 /nfs/dbraw/zinc/27/83/67/1130278367.db2.gz WHPJULYBJPSUCP-QGZVFWFLSA-N 0 1 330.388 3.514 20 5 EHBDMN O=C(NCc1ccccc1[N+](=O)[O-])c1c(O)cc(Cl)cc1Cl ZINC000175198838 1130412887 /nfs/dbraw/zinc/41/28/87/1130412887.db2.gz WIBKGMXHCFJUHZ-UHFFFAOYSA-N 0 1 341.150 3.537 20 5 EHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736628311 1131428273 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3.885 20 5 EHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)nc1 ZINC000810224056 1135940007 /nfs/dbraw/zinc/94/00/07/1135940007.db2.gz SPSLCPCNRLFWEW-SNVBAGLBSA-N 0 1 336.189 3.603 20 5 EHBDMN O=[N+]([O-])c1cccc([C@@H](N[C@H]2COC3(CCC3)C2)c2ccccc2)c1 ZINC000850523826 1136277567 /nfs/dbraw/zinc/27/75/67/1136277567.db2.gz DCNYGJDPJQFVHV-MJGOQNOKSA-N 0 1 338.407 3.985 20 5 EHBDMN CCN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)[C@H](O)c1ccccc1 ZINC000852066246 1136430963 /nfs/dbraw/zinc/43/09/63/1136430963.db2.gz MXBDBMKSLIXGSA-UGSOOPFHSA-N 0 1 332.375 3.678 20 5 EHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852758897 1136483874 /nfs/dbraw/zinc/48/38/74/1136483874.db2.gz GRWAGTSSGVTUPN-CALCHBBNSA-N 0 1 336.819 3.641 20 5 EHBDMN Cc1ccc(OC2CC[NH+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)cc1 ZINC000338996747 1136791318 /nfs/dbraw/zinc/79/13/18/1136791318.db2.gz JVZXSKFELBWRAN-UHFFFAOYSA-N 0 1 342.395 3.652 20 5 EHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CO[C@H](C2CC2)C1 ZINC000862529223 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335.383 3.777 20 5 EHBDMN CC(C)c1cc([C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)[nH]n1 ZINC000872649231 1137582560 /nfs/dbraw/zinc/58/25/60/1137582560.db2.gz UOKPENQLAQIVFQ-LLVKDONJSA-N 0 1 349.822 3.874 20 5 EHBDMN CC(C)(C)C1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878112332 1137702989 /nfs/dbraw/zinc/70/29/89/1137702989.db2.gz ZXQDXHIRNZHYEQ-UHFFFAOYSA-N 0 1 344.415 3.903 20 5 EHBDMN C[C@H]1CC[C@@]2(CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000878399660 1137714396 /nfs/dbraw/zinc/71/43/96/1137714396.db2.gz PNGCDXXNPJEVBO-SCLBCKFNSA-N 0 1 342.399 3.657 20 5 EHBDMN C[C@@H]1CC[C@]2(CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000878399658 1137714449 /nfs/dbraw/zinc/71/44/49/1137714449.db2.gz PNGCDXXNPJEVBO-ACJLOTCBSA-N 0 1 342.399 3.657 20 5 EHBDMN CC(C)[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC1CCC1 ZINC000878516650 1137718670 /nfs/dbraw/zinc/71/86/70/1137718670.db2.gz UJABZBRTNFOACM-UHFFFAOYSA-N 0 1 330.388 3.655 20 5 EHBDMN CC(C)(O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000879964640 1137763638 /nfs/dbraw/zinc/76/36/38/1137763638.db2.gz MCVAZSJUWHJWBE-GFCCVEGCSA-N 0 1 346.349 3.597 20 5 EHBDMN Cc1nc(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)[nH]c1C ZINC000884708316 1137970297 /nfs/dbraw/zinc/97/02/97/1137970297.db2.gz UVJWOMOCDWQABS-UHFFFAOYSA-N 0 1 334.807 3.972 20 5 EHBDMN COCCCOc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090718756 1138213027 /nfs/dbraw/zinc/21/30/27/1138213027.db2.gz BOPOXVFFEOVEEI-HNNXBMFYSA-N 0 1 344.411 3.861 20 5 EHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000263802840 1138370446 /nfs/dbraw/zinc/37/04/46/1138370446.db2.gz WIKUAGQISFWWMG-FRRDWIJNSA-N 0 1 330.388 3.684 20 5 EHBDMN COc1cc(CN[C@H]2CCCc3sccc32)c([N+](=O)[O-])cc1O ZINC000183789549 1140058488 /nfs/dbraw/zinc/05/84/88/1140058488.db2.gz JOSARYBZAFAQOA-LBPRGKRZSA-N 0 1 334.397 3.538 20 5 EHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC2(CC2)C1 ZINC000186994834 1140231114 /nfs/dbraw/zinc/23/11/14/1140231114.db2.gz ILOUAYYCHRRKGB-LBPRGKRZSA-N 0 1 328.372 3.582 20 5 EHBDMN COCC1=CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000187618244 1140264452 /nfs/dbraw/zinc/26/44/52/1140264452.db2.gz WVUPPDAYHIYTFI-UHFFFAOYSA-N 0 1 328.368 3.633 20 5 EHBDMN C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000192184975 1140509157 /nfs/dbraw/zinc/50/91/57/1140509157.db2.gz HMXQZDDVVWSQDP-LBPRGKRZSA-N 0 1 333.413 3.577 20 5 EHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccnc(OC)c2)cc1[N+](=O)[O-] ZINC000348677038 1141565461 /nfs/dbraw/zinc/56/54/61/1141565461.db2.gz DXPHLDMAWUZCQV-OLZOCXBDSA-N 0 1 345.399 3.809 20 5 EHBDMN CC1(C(=O)[O-])CC[NH+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000843040579 955619676 /nfs/dbraw/zinc/61/96/76/955619676.db2.gz KEGJRXAJMSYNFE-UHFFFAOYSA-N 0 1 347.198 3.588 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000593733444 974984268 /nfs/dbraw/zinc/98/42/68/974984268.db2.gz ULUPERWAHCWGAJ-KRWDZBQOSA-N 0 1 340.379 3.500 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(n2c(C)ccc2C)CC1 ZINC000430199212 1014849717 /nfs/dbraw/zinc/84/97/17/1014849717.db2.gz BIFVGEYVAIQHHJ-UHFFFAOYSA-N 0 1 343.427 3.859 20 5 EHBDMN COc1ccc(-c2ccc(C[N@H+]3CCSC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000536684534 1032122837 /nfs/dbraw/zinc/12/28/37/1032122837.db2.gz JVVQCCIODJOGLL-GFCCVEGCSA-N 0 1 348.424 3.801 20 5 EHBDMN COc1ccc(-c2ccc(CN3CCSC[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000536684534 1032122848 /nfs/dbraw/zinc/12/28/48/1032122848.db2.gz JVVQCCIODJOGLL-GFCCVEGCSA-N 0 1 348.424 3.801 20 5 EHBDMN CC1=C[C@H](C)CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000430282937 1015780905 /nfs/dbraw/zinc/78/09/05/1015780905.db2.gz GVQPOCQIIJDSIS-AAEUAGOBSA-N 0 1 328.372 3.604 20 5 EHBDMN C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593697863 996158361 /nfs/dbraw/zinc/15/83/61/996158361.db2.gz RHRQKNQKISLNLL-LLVKDONJSA-N 0 1 332.331 3.625 20 5 EHBDMN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593697863 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3.998 20 5 EHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000602485461 1032913054 /nfs/dbraw/zinc/91/30/54/1032913054.db2.gz QRDDEVWPNMBQBA-GXTWGEPZSA-N 0 1 344.333 3.615 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN(CCCOCC(F)(F)F)C1CC1 ZINC000135231747 1020919563 /nfs/dbraw/zinc/91/95/63/1020919563.db2.gz CYZSJTUEBAGYLP-UHFFFAOYSA-N 0 1 332.322 3.528 20 5 EHBDMN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518764483 1021515859 /nfs/dbraw/zinc/51/58/59/1021515859.db2.gz OECKABYDKMEEQJ-RWMBFGLXSA-N 0 1 342.399 3.560 20 5 EHBDMN CC(C)C(C)(C)CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000574300446 1033033372 /nfs/dbraw/zinc/03/33/72/1033033372.db2.gz HXKYDGOMEXTYLT-MRXNPFEDSA-N 0 1 330.432 3.690 20 5 EHBDMN CCOc1cc(CN2CCC(OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276942789 1023432916 /nfs/dbraw/zinc/43/29/16/1023432916.db2.gz SMMJYHLBWIWJOD-UHFFFAOYSA-N 0 1 336.432 3.773 20 5 EHBDMN Cn1ccnc1[C@@H](N[C@H]1CCCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1 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3.699 20 5 EHBDMN COc1cc(C[N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000508000984 1024817035 /nfs/dbraw/zinc/81/70/35/1024817035.db2.gz UQNQRZHHCSUBAL-VURMDHGXSA-N 0 1 342.395 3.757 20 5 EHBDMN COc1cc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000508000984 1024817056 /nfs/dbraw/zinc/81/70/56/1024817056.db2.gz UQNQRZHHCSUBAL-VURMDHGXSA-N 0 1 342.395 3.757 20 5 EHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C[C@@H]4CSC[C@@H]4C3)cs2)c1 ZINC000895779163 1024826289 /nfs/dbraw/zinc/82/62/89/1024826289.db2.gz MBVCVLZGVCPHFG-BETUJISGSA-N 0 1 347.465 3.513 20 5 EHBDMN C[C@H](NCc1ccc2c(c1)OCCCO2)c1cccc([N+](=O)[O-])c1 ZINC000119705360 1024938549 /nfs/dbraw/zinc/93/85/49/1024938549.db2.gz RTPPCFAGOVZGKC-ZDUSSCGKSA-N 0 1 328.368 3.607 20 5 EHBDMN CCN(Cc1ccc(OC)c(OC)c1)Cc1cccc([N+](=O)[O-])c1C ZINC000051377086 1025034499 /nfs/dbraw/zinc/03/44/99/1025034499.db2.gz CTOMYTWZLMJWNR-UHFFFAOYSA-N 0 1 344.411 3.943 20 5 EHBDMN COc1ccc2c(c1)[C@H](NCc1cc([N+](=O)[O-])ccc1OC)CCC2 ZINC000346804356 1025124945 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CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1N1CCCC1 ZINC000070760476 1122919905 /nfs/dbraw/zinc/91/99/05/1122919905.db2.gz AUTCNYXEVMKBHH-UHFFFAOYSA-N 0 1 325.412 3.827 20 5 EHBDMN O=[N+]([O-])c1cccc(OCCN2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800859 1123665311 /nfs/dbraw/zinc/66/53/11/1123665311.db2.gz UEWFCXMFKFFGKZ-SFHVURJKSA-N 0 1 344.436 3.764 20 5 EHBDMN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CCCC2)CC1 ZINC000610004324 1123712439 /nfs/dbraw/zinc/71/24/39/1123712439.db2.gz AGVVKFZBCNNMPZ-AWEZNQCLSA-N 0 1 331.416 3.578 20 5 EHBDMN CCCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000610133496 1123739076 /nfs/dbraw/zinc/73/90/76/1123739076.db2.gz TXKNXJHAQJDJTI-JCURWCKSSA-N 0 1 336.407 3.759 20 5 EHBDMN CCOc1cc(CN2CCC(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000617216808 1124100443 /nfs/dbraw/zinc/10/04/43/1124100443.db2.gz VIPSFKLXNFQLMK-UHFFFAOYSA-N 0 1 341.411 3.768 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000181830426 1125054105 /nfs/dbraw/zinc/05/41/05/1125054105.db2.gz DIUVRPXWYROJJS-HNNXBMFYSA-N 0 1 345.443 3.561 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCN[C@@H](c2ccccc2)c2ccccn2)cc1 ZINC000067386480 1129269060 /nfs/dbraw/zinc/26/90/60/1129269060.db2.gz CDYYMGITWGPCFS-FQEVSTJZSA-N 0 1 349.390 3.748 20 5 EHBDMN COCCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)C ZINC000092563180 1129552536 /nfs/dbraw/zinc/55/25/36/1129552536.db2.gz BANDOEYOXUBBJC-UHFFFAOYSA-N 0 1 349.456 3.823 20 5 EHBDMN CC(C)c1ccc(CN2CCC(c3ccnn3C)CC2)cc1[N+](=O)[O-] ZINC000092810431 1129562559 /nfs/dbraw/zinc/56/25/59/1129562559.db2.gz MEGLVGLGYGTNEI-UHFFFAOYSA-N 0 1 342.443 3.831 20 5 EHBDMN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922623894 1129600252 /nfs/dbraw/zinc/60/02/52/1129600252.db2.gz WREWSGSWZVQVOH-HNNXBMFYSA-N 0 1 348.374 3.992 20 5 EHBDMN Cc1ccc([C@H]2CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)c(C)c1 ZINC000331026665 1129651619 /nfs/dbraw/zinc/65/16/19/1129651619.db2.gz VJEBUICOBFQHDI-AWEZNQCLSA-N 0 1 340.379 3.547 20 5 EHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000056196712 1129806224 /nfs/dbraw/zinc/80/62/24/1129806224.db2.gz KBEJRSLEWBUAJG-GHMZBOCLSA-N 0 1 349.337 3.551 20 5 EHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000056197510 1129806790 /nfs/dbraw/zinc/80/67/90/1129806790.db2.gz DMLHTGSJHQGWEP-VXGBXAGGSA-N 0 1 347.802 3.926 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCCc2nc(C)ncc21 ZINC000766045808 1129935663 /nfs/dbraw/zinc/93/56/63/1129935663.db2.gz VXBJXQCNXVMYRN-YVEFUNNKSA-N 0 1 326.400 3.730 20 5 EHBDMN C[C@@H](NCc1cccc(N2CCCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173321136 1130206746 /nfs/dbraw/zinc/20/67/46/1130206746.db2.gz OPFGIHAZDSFTNJ-CQSZACIVSA-N 0 1 339.395 3.572 20 5 EHBDMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1Cl ZINC000731451198 1130798053 /nfs/dbraw/zinc/79/80/53/1130798053.db2.gz BYQUYSJFKLJCLP-AWEZNQCLSA-N 0 1 333.775 3.516 20 5 EHBDMN CC[C@H]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H]1C ZINC001169495402 1132771702 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EHBDMN CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191529254 1134880401 /nfs/dbraw/zinc/88/04/01/1134880401.db2.gz DBIWMAKGLMDMNI-INIZCTEOSA-N 0 1 341.411 3.531 20 5 EHBDMN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000805840167 1135333594 /nfs/dbraw/zinc/33/35/94/1135333594.db2.gz MMTQTRMJJPTKFD-GDBMZVCRSA-N 0 1 332.425 3.773 20 5 EHBDMN COc1cc(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccn1 ZINC001199144268 1135882770 /nfs/dbraw/zinc/88/27/70/1135882770.db2.gz PSYUWQGLCHMOQY-UHFFFAOYSA-N 0 1 339.351 3.548 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)cc1Cl ZINC000809758409 1135887885 /nfs/dbraw/zinc/88/78/85/1135887885.db2.gz MFVUIQLNSTXQAX-HIFRSBDPSA-N 0 1 338.835 3.887 20 5 EHBDMN CN(CCc1ccncc1)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809968401 1135904879 /nfs/dbraw/zinc/90/48/79/1135904879.db2.gz AZNODEZFQKUVJJ-UHFFFAOYSA-N 0 1 340.210 3.971 20 5 EHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCCCO1 ZINC000338924312 1136180497 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341.411 3.704 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1OC1CC1 ZINC000858169994 1136946158 /nfs/dbraw/zinc/94/61/58/1136946158.db2.gz HFUMJVSYQWKYJL-ZDUSSCGKSA-N 0 1 342.395 3.995 20 5 EHBDMN C[C@@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858483981 1136972089 /nfs/dbraw/zinc/97/20/89/1136972089.db2.gz GBNVLZCAUWCQOS-XIKOKIGWSA-N 0 1 326.400 3.764 20 5 EHBDMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000858502106 1136974014 /nfs/dbraw/zinc/97/40/14/1136974014.db2.gz HGBYBFSTPBIWAK-RYUDHWBXSA-N 0 1 345.399 3.606 20 5 EHBDMN C[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000339071882 1137276156 /nfs/dbraw/zinc/27/61/56/1137276156.db2.gz UNODKLIQRCWRNY-JTQLQIEISA-N 0 1 338.310 3.753 20 5 EHBDMN COC(=O)c1csc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866541338 1137363199 /nfs/dbraw/zinc/36/31/99/1137363199.db2.gz YPZPMXKXUUYBMC-NSHDSACASA-N 0 1 334.397 3.602 20 5 EHBDMN CCC[C@@H](NCc1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1 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CC(C)(NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCCO1 ZINC000879405752 1137746806 /nfs/dbraw/zinc/74/68/06/1137746806.db2.gz HJBWGVNMZLFKPX-INIZCTEOSA-N 0 1 345.399 3.687 20 5 EHBDMN Cc1cncc([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])c1 ZINC000879747630 1137757722 /nfs/dbraw/zinc/75/77/22/1137757722.db2.gz OIJNAAZFNUTKSR-MRXNPFEDSA-N 0 1 327.384 3.514 20 5 EHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000120102993 1137946644 /nfs/dbraw/zinc/94/66/44/1137946644.db2.gz VQKNPWVWOKFUSO-CYBMUJFWSA-N 0 1 339.395 3.794 20 5 EHBDMN CC[C@H](N[C@@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000120282488 1137948030 /nfs/dbraw/zinc/94/80/30/1137948030.db2.gz RQHRFURZEFBQPP-OALUTQOASA-N 0 1 344.411 3.768 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000089512644 1138200528 /nfs/dbraw/zinc/20/05/28/1138200528.db2.gz RTQCWPMBPQRZLC-MAUKXSAKSA-N 0 1 326.396 3.852 20 5 EHBDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000126818902 1138339869 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COc1ccc([C@H](NCc2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858341949 1136959645 /nfs/dbraw/zinc/95/96/45/1136959645.db2.gz IDTAYPVBTRBXLM-QGZVFWFLSA-N 0 1 347.802 3.893 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483471 1137146508 /nfs/dbraw/zinc/14/65/08/1137146508.db2.gz UPRYHHFOWAQTDM-ZGBFETHSSA-N 0 1 338.407 3.592 20 5 EHBDMN CCC[C@H](NCc1cccc2c1OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000772987890 1137419903 /nfs/dbraw/zinc/41/99/03/1137419903.db2.gz ZIIWMCLNGOJYNY-KRWDZBQOSA-N 0 1 342.395 3.997 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCC(=O)Nc1c(C)cccc1C ZINC000873008638 1137587921 /nfs/dbraw/zinc/58/79/21/1137587921.db2.gz SJBDBPKCPXGGPL-UHFFFAOYSA-N 0 1 341.411 3.557 20 5 EHBDMN C[C@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878127041 1137703446 /nfs/dbraw/zinc/70/34/46/1137703446.db2.gz XFIXYFZREWFYDK-UWVGGRQHSA-N 0 1 336.779 3.529 20 5 EHBDMN C[C@H]1C[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878127041 1137703447 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C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593305166 994759464 /nfs/dbraw/zinc/75/94/64/994759464.db2.gz XQRGTRJAIIITLI-SNVBAGLBSA-N 0 1 334.759 3.797 20 5 EHBDMN CCc1ccc([C@@H](COC)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449152788 1032256068 /nfs/dbraw/zinc/25/60/68/1032256068.db2.gz HFUYDTHQZZSBAY-XJKSGUPXSA-N 0 1 332.400 3.659 20 5 EHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000449334530 1032469860 /nfs/dbraw/zinc/46/98/60/1032469860.db2.gz FCZFPQBLKOUIDE-IAQYHMDHSA-N 0 1 348.349 3.917 20 5 EHBDMN CC(=O)Nc1cccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000155464031 1017783584 /nfs/dbraw/zinc/78/35/84/1017783584.db2.gz DLZDYJGVMIGQRB-ZDUSSCGKSA-N 0 1 327.384 3.712 20 5 EHBDMN Cc1ccc(-c2csc([C@@H]3CN4CCC[C@@H]4CO3)n2)cc1[N+](=O)[O-] ZINC000102662597 1018572912 /nfs/dbraw/zinc/57/29/12/1018572912.db2.gz KCCPFLCSZRECDA-CJNGLKHVSA-N 0 1 345.424 3.562 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CCO)c1ccccc1F)CCC2 ZINC000592403640 1032798707 /nfs/dbraw/zinc/79/87/07/1032798707.db2.gz ROCHLRDRTBCCEY-OALUTQOASA-N 0 1 344.386 3.825 20 5 EHBDMN Cc1nc(-c2ccccc2)sc1COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000729202731 1019228791 /nfs/dbraw/zinc/22/87/91/1019228791.db2.gz UPDGTLSYOFQJLB-UHFFFAOYSA-N 0 1 343.364 3.712 20 5 EHBDMN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433769879 1019583925 /nfs/dbraw/zinc/58/39/25/1019583925.db2.gz YVGYKPVRBHSUQR-CYBMUJFWSA-N 0 1 344.415 3.882 20 5 EHBDMN Cn1cc([C@H]2CN(Cc3c(Cl)cccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000580841783 1020128807 /nfs/dbraw/zinc/12/88/07/1020128807.db2.gz MHGNXKVKQZKAHT-CQSZACIVSA-N 0 1 348.834 3.607 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CNCCCOC3CCCCC3)nc2c1 ZINC000602510157 1032944991 /nfs/dbraw/zinc/94/49/91/1032944991.db2.gz DGHDHWODNBLPKS-UHFFFAOYSA-N 0 1 333.388 3.565 20 5 EHBDMN COc1ccccc1[C@H](CNc1ccsc1[N+](=O)[O-])N1CCCC1 ZINC000610514223 1021151575 /nfs/dbraw/zinc/15/15/75/1021151575.db2.gz YRZVGGJSWTWORV-HNNXBMFYSA-N 0 1 347.440 3.914 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCCOCc1ccccc1 ZINC000439481914 1021488056 /nfs/dbraw/zinc/48/80/56/1021488056.db2.gz OMZNLBJLDGATFO-UHFFFAOYSA-N 0 1 344.411 3.642 20 5 EHBDMN CCOc1cc(CN(C)Cc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000516509642 1021502712 /nfs/dbraw/zinc/50/27/12/1021502712.db2.gz WSTRQQZGUAQGEF-UHFFFAOYSA-N 0 1 343.427 3.692 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CNCC3(c4cccc(F)c4)CC3)nc2c1 ZINC000602551379 1032984416 /nfs/dbraw/zinc/98/44/16/1032984416.db2.gz CRGZOGDBOJDQEG-UHFFFAOYSA-N 0 1 341.342 3.697 20 5 EHBDMN Cc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000505990892 1021649385 /nfs/dbraw/zinc/64/93/85/1021649385.db2.gz FONTZZBTNOXSDB-UHFFFAOYSA-N 0 1 340.314 3.685 20 5 EHBDMN COc1ccc(OCCN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000490042888 1021714080 /nfs/dbraw/zinc/71/40/80/1021714080.db2.gz PGKXFIIWMNJKKR-UHFFFAOYSA-N 0 1 342.395 3.647 20 5 EHBDMN O=C(c1ccc(O)c(Cl)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000135273892 1021976023 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CC[C@H]1c2ccccc2CCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000610922625 1023879600 /nfs/dbraw/zinc/87/96/00/1023879600.db2.gz RXQXFEPDSONKEX-AWEZNQCLSA-N 0 1 342.399 3.591 20 5 EHBDMN CCn1ccnc1[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000280966407 1024465700 /nfs/dbraw/zinc/46/57/00/1024465700.db2.gz KCEPDCOTBSLRCM-KRWDZBQOSA-N 0 1 328.416 3.581 20 5 EHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn[nH]c1-c1ccc(Cl)cc1 ZINC000014206849 1024642256 /nfs/dbraw/zinc/64/22/56/1024642256.db2.gz RWWKXPKMYWUPPJ-UHFFFAOYSA-N 0 1 342.742 3.891 20 5 EHBDMN C[C@@H](c1ccccc1)[C@@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450600321 1024803040 /nfs/dbraw/zinc/80/30/40/1024803040.db2.gz NGSUKYRUVHZTSN-YWZLYKJASA-N 0 1 340.423 3.724 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000342329058 1024897619 /nfs/dbraw/zinc/89/76/19/1024897619.db2.gz VRXRQDRAQZXXQX-GULBITTBSA-N 0 1 347.459 3.591 20 5 EHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC2(C1)CCCCCC2 ZINC000428046863 1024957771 /nfs/dbraw/zinc/95/77/71/1024957771.db2.gz GZEFCBNZPKMVRL-UHFFFAOYSA-N 0 1 332.400 3.877 20 5 EHBDMN CC(C)OCCCN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425422909 1025246083 /nfs/dbraw/zinc/24/60/83/1025246083.db2.gz SVCIUXFVADTJBF-UHFFFAOYSA-N 0 1 345.237 3.604 20 5 EHBDMN CO[C@H](C)C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425421115 1025237910 /nfs/dbraw/zinc/23/79/10/1025237910.db2.gz QPYGMZJYFUWZQT-LLVKDONJSA-N 0 1 345.237 3.603 20 5 EHBDMN CO[C@H](C)CN(Cc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000425421115 1025237914 /nfs/dbraw/zinc/23/79/14/1025237914.db2.gz QPYGMZJYFUWZQT-LLVKDONJSA-N 0 1 345.237 3.603 20 5 EHBDMN CC[C@@H](NCc1c(C)cc(C)nc1OC)c1cccc([N+](=O)[O-])c1 ZINC000346951877 1025345482 /nfs/dbraw/zinc/34/54/82/1025345482.db2.gz URRBHBHXNXDJPR-QGZVFWFLSA-N 0 1 329.400 3.856 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1COc1nc(-c2ccccc2Cl)no1 ZINC000436473824 1025766625 /nfs/dbraw/zinc/76/66/25/1025766625.db2.gz IQQVQUTUNMLHEV-UHFFFAOYSA-N 0 1 347.714 3.583 20 5 EHBDMN O=[N+]([O-])c1ccc(CSc2nc(Cc3ccccc3)n[nH]2)c(F)c1 ZINC000478769823 1026275736 /nfs/dbraw/zinc/27/57/36/1026275736.db2.gz JENHCSDOZYWHLR-UHFFFAOYSA-N 0 1 344.371 3.735 20 5 EHBDMN CC(C)OCCOC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000451948917 1026409900 /nfs/dbraw/zinc/40/99/00/1026409900.db2.gz AQRSHWWINGCXBA-HNNXBMFYSA-N 0 1 336.432 3.562 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@]2(CCSC2)C1 ZINC000451971601 1026428293 /nfs/dbraw/zinc/42/82/93/1026428293.db2.gz LZGFGMNIYCKPGO-OAHLLOKOSA-N 0 1 326.849 3.967 20 5 EHBDMN CCN(CC)[C@@H](C(=O)N(C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000158630021 1026751955 /nfs/dbraw/zinc/75/19/55/1026751955.db2.gz PLLMEWWTZGNGAY-GOSISDBHSA-N 0 1 341.411 3.641 20 5 EHBDMN C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000342744777 1026932926 /nfs/dbraw/zinc/93/29/26/1026932926.db2.gz RZFXPGAWXZQFSR-SCLBCKFNSA-N 0 1 340.379 3.914 20 5 EHBDMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000434183826 1027399743 /nfs/dbraw/zinc/39/97/43/1027399743.db2.gz PAFQMTGFBOQBNN-LLVKDONJSA-N 0 1 348.378 3.804 20 5 EHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174575 1027911788 /nfs/dbraw/zinc/91/17/88/1027911788.db2.gz IUNWSAUQCFZRMA-BBRMVZONSA-N 0 1 330.359 3.948 20 5 EHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H](CCO)CC2)c1 ZINC000421018118 1028003300 /nfs/dbraw/zinc/00/33/00/1028003300.db2.gz OAYHLIVULFVGMO-GFCCVEGCSA-N 0 1 346.349 3.598 20 5 EHBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000444806582 1028277518 /nfs/dbraw/zinc/27/75/18/1028277518.db2.gz UXLYTBLWNUYVCD-OAHLLOKOSA-N 0 1 334.807 3.672 20 5 EHBDMN O=[N+]([O-])c1cnn(CCN2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000444792672 1028292687 /nfs/dbraw/zinc/29/26/87/1028292687.db2.gz FDTGEDXBUFABNB-INIZCTEOSA-N 0 1 334.807 3.672 20 5 EHBDMN CN(C)[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000440594880 1028413523 /nfs/dbraw/zinc/41/35/23/1028413523.db2.gz CRVKXRVWUXQURM-ZDUSSCGKSA-N 0 1 327.356 3.649 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042634812 1028489711 /nfs/dbraw/zinc/48/97/11/1028489711.db2.gz GXQNUYGGKQUEPT-IBGZPJMESA-N 0 1 326.396 3.540 20 5 EHBDMN C[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000347379953 1028564771 /nfs/dbraw/zinc/56/47/71/1028564771.db2.gz RMWUQEQMYMXNMW-SNVBAGLBSA-N 0 1 326.308 3.538 20 5 EHBDMN CC(C)[C@H](CC(F)(F)F)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000615005794 1029230807 /nfs/dbraw/zinc/23/08/07/1029230807.db2.gz UPVGJPHCAJDDIX-NSHDSACASA-N 0 1 331.294 3.803 20 5 EHBDMN CC(C)C1CCC(N(C)C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000508558207 1029483380 /nfs/dbraw/zinc/48/33/80/1029483380.db2.gz SKRXJUQHTRXBRU-UHFFFAOYSA-N 0 1 344.415 3.758 20 5 EHBDMN Cc1cccc2nc(CCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]c21 ZINC000178849411 1029569574 /nfs/dbraw/zinc/56/95/74/1029569574.db2.gz PSRJSTHQCMNVDI-UHFFFAOYSA-N 0 1 338.367 3.659 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000121668507 1029677951 /nfs/dbraw/zinc/67/79/51/1029677951.db2.gz PFAPGAYHMJUTBX-UHFFFAOYSA-N 0 1 344.390 3.514 20 5 EHBDMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000324436004 1029831019 /nfs/dbraw/zinc/83/10/19/1029831019.db2.gz DEFTVDHTTPWSHJ-YVEFUNNKSA-N 0 1 328.368 3.778 20 5 EHBDMN CN1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000533820157 1029879134 /nfs/dbraw/zinc/87/91/34/1029879134.db2.gz UACJZUQGTUBNNV-AWEZNQCLSA-N 0 1 349.337 3.795 20 5 EHBDMN CSc1cc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000447586189 1030321205 /nfs/dbraw/zinc/32/12/05/1030321205.db2.gz MRXKJQBUSCSDOX-MRXNPFEDSA-N 0 1 329.425 3.879 20 5 EHBDMN Cc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1Cl ZINC000447732151 1030441236 /nfs/dbraw/zinc/44/12/36/1030441236.db2.gz VOBVSSXUHPARCY-AWEZNQCLSA-N 0 1 346.818 3.638 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnn(CC(F)(F)F)c1 ZINC000532244603 1030508839 /nfs/dbraw/zinc/50/88/39/1030508839.db2.gz HDPJERSKVRAZAD-LLVKDONJSA-N 0 1 342.321 3.513 20 5 EHBDMN O=[N+]([O-])c1cc(CNC[C@@H](c2ccco2)N2CCCCC2)cs1 ZINC000237975030 1030531901 /nfs/dbraw/zinc/53/19/01/1030531901.db2.gz QDBSTNVSTQSMAQ-AWEZNQCLSA-N 0 1 335.429 3.566 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccccn2)CC1 ZINC000348507665 1030612094 /nfs/dbraw/zinc/61/20/94/1030612094.db2.gz ISOPNRRESCDGMT-CQSZACIVSA-N 0 1 327.384 3.594 20 5 EHBDMN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000483120922 1030968404 /nfs/dbraw/zinc/96/84/04/1030968404.db2.gz LIYIKLDITHDVLR-GFCCVEGCSA-N 0 1 339.823 3.697 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c(Cl)c1 ZINC000611797333 1031289063 /nfs/dbraw/zinc/28/90/63/1031289063.db2.gz UZYDNWKXJSGFCJ-KGLIPLIRSA-N 0 1 338.835 3.887 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248136823 1031423594 /nfs/dbraw/zinc/42/35/94/1031423594.db2.gz PDQXHOAEAXOKNL-LPHOPBHVSA-N 0 1 348.443 3.509 20 5 EHBDMN CC1(C)CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000484340121 1031535110 /nfs/dbraw/zinc/53/51/10/1031535110.db2.gz MPDNKLKYRMMMNR-CQSZACIVSA-N 0 1 346.349 3.884 20 5 EHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@@H]1CC1CCCC1 ZINC000594419548 1033387181 /nfs/dbraw/zinc/38/71/81/1033387181.db2.gz XLYVXPDCIGRFTO-CYBMUJFWSA-N 0 1 342.399 3.656 20 5 EHBDMN COc1cccc2c1OCC[C@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502851 1033404862 /nfs/dbraw/zinc/40/48/62/1033404862.db2.gz QVDDHXUBJLVJEW-JKSUJKDBSA-N 0 1 340.379 3.704 20 5 EHBDMN Cc1c([C@H](C)N[C@H]2CCc3ccccc3NC2=O)cccc1[N+](=O)[O-] ZINC000594511762 1033415849 /nfs/dbraw/zinc/41/58/49/1033415849.db2.gz OHMDYVIFFFRNFH-GUYCJALGSA-N 0 1 339.395 3.507 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](OC)c1ccccc1 ZINC000595019476 1033611551 /nfs/dbraw/zinc/61/15/51/1033611551.db2.gz WKHINPOVEZNQTB-UGSOOPFHSA-N 0 1 330.384 3.642 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000595017916 1033612613 /nfs/dbraw/zinc/61/26/13/1033612613.db2.gz XKSBYWXPPWVECD-JTQLQIEISA-N 0 1 337.326 3.787 20 5 EHBDMN COc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)c(C)c1 ZINC000595020942 1033614701 /nfs/dbraw/zinc/61/47/01/1033614701.db2.gz BLSUVGOZSRPFNL-CYBMUJFWSA-N 0 1 330.384 3.771 20 5 EHBDMN CC(C)CC[C@@H](CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598991674 1033644299 /nfs/dbraw/zinc/64/42/99/1033644299.db2.gz RHQBYXPMIKYTOF-AWEZNQCLSA-N 0 1 349.456 3.605 20 5 EHBDMN CC[C@H](NCc1c(C(F)(F)F)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000599061589 1033700970 /nfs/dbraw/zinc/70/09/70/1033700970.db2.gz PXYMDSKRLZMNCK-ZDUSSCGKSA-N 0 1 342.321 3.588 20 5 EHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cnc2ccccc2n1 ZINC000595295406 1033721009 /nfs/dbraw/zinc/72/10/09/1033721009.db2.gz LSCXTVRPPRTSQM-UHFFFAOYSA-N 0 1 336.395 3.949 20 5 EHBDMN C[C@H](COCC1CC1)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000593681367 1033749130 /nfs/dbraw/zinc/74/91/30/1033749130.db2.gz FVZYDYPVGNUAPU-GFCCVEGCSA-N 0 1 347.440 3.623 20 5 EHBDMN CC[C@H](NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593021266 1033834945 /nfs/dbraw/zinc/83/49/45/1033834945.db2.gz SQJBMTWAJDWSKS-INIZCTEOSA-N 0 1 328.368 3.622 20 5 EHBDMN C[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000593735526 1033900191 /nfs/dbraw/zinc/90/01/91/1033900191.db2.gz YVPDHRCUCSJVNY-ISTRZQFTSA-N 0 1 332.400 3.694 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@H](CCF)C3)co2)cc1 ZINC000595755096 1033984827 /nfs/dbraw/zinc/98/48/27/1033984827.db2.gz GGYAWXWTPYVSAW-CYBMUJFWSA-N 0 1 333.363 3.821 20 5 EHBDMN COc1cccc(C2(NCc3ccc([N+](=O)[O-])c(OC)c3)CCC2)c1 ZINC000595847058 1034008277 /nfs/dbraw/zinc/00/82/77/1034008277.db2.gz DSAUIIPPYIALDO-UHFFFAOYSA-N 0 1 342.395 3.781 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]4CC[C@@H](C3)S4)co2)cc1 ZINC000599553369 1034008821 /nfs/dbraw/zinc/00/88/21/1034008821.db2.gz RDQSVPDQZOHXDO-CVEARBPZSA-N 0 1 345.424 3.720 20 5 EHBDMN Cc1c(CN2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000599590223 1034028170 /nfs/dbraw/zinc/02/81/70/1034028170.db2.gz VWYRBWFEUOOVTH-CZUORRHYSA-N 0 1 348.443 3.703 20 5 EHBDMN C[C@@H](NCc1cnccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000596050735 1034054501 /nfs/dbraw/zinc/05/45/01/1034054501.db2.gz OBMVSIYLBSHRPJ-SNVBAGLBSA-N 0 1 325.290 3.859 20 5 EHBDMN C/C=C\C[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000599691145 1034096403 /nfs/dbraw/zinc/09/64/03/1034096403.db2.gz QSLZBPZLRWGHBB-PYLYLYNFSA-N 0 1 342.399 3.823 20 5 EHBDMN CCO[C@H]1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000450745708 1034749751 /nfs/dbraw/zinc/74/97/51/1034749751.db2.gz PWCIDXMPZNXEDK-SGTLLEGYSA-N 0 1 329.400 3.703 20 5 EHBDMN O=[N+]([O-])c1ccc(F)cc1CN(CCCO)[C@H]1CCc2ccccc21 ZINC000172258402 1034870072 /nfs/dbraw/zinc/87/00/72/1034870072.db2.gz PQSCDTCUBQTESB-IBGZPJMESA-N 0 1 344.386 3.606 20 5 EHBDMN Cc1ccc2nc([C@H]3CCCN(c4cccnc4[N+](=O)[O-])C3)[nH]c2c1 ZINC000612452096 1034949673 /nfs/dbraw/zinc/94/96/73/1034949673.db2.gz SRURVYRLAKFYMP-ZDUSSCGKSA-N 0 1 337.383 3.559 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000412001716 1035274059 /nfs/dbraw/zinc/27/40/59/1035274059.db2.gz QTIXEPGQNPTGGT-LJQANCHMSA-N 0 1 338.407 3.949 20 5 EHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](COCc2ccccc2)C1 ZINC000075864703 1035569024 /nfs/dbraw/zinc/56/90/24/1035569024.db2.gz WJHHZNSPTXQYAA-INIZCTEOSA-N 0 1 344.386 3.773 20 5 EHBDMN CC(C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000457067608 1035680712 /nfs/dbraw/zinc/68/07/12/1035680712.db2.gz FDPXPMMSRGTXET-UHFFFAOYSA-N 0 1 330.388 3.510 20 5 EHBDMN COc1cccc(C2(NCc3cc([N+](=O)[O-])ccc3OC)CCC2)c1 ZINC000595858581 1036749847 /nfs/dbraw/zinc/74/98/47/1036749847.db2.gz VVSPHGGLLVVJJT-UHFFFAOYSA-N 0 1 342.395 3.781 20 5 EHBDMN Cc1ccc([C@H]2OCCC[C@@H]2NCc2csc([N+](=O)[O-])c2)cc1 ZINC000539511939 1036836984 /nfs/dbraw/zinc/83/69/84/1036836984.db2.gz JGJNHOMBZXTPJI-DOTOQJQBSA-N 0 1 332.425 3.975 20 5 EHBDMN Cc1ccc([C@@H]2OCCC[C@H]2NCc2csc([N+](=O)[O-])c2)cc1 ZINC000539511942 1036837305 /nfs/dbraw/zinc/83/73/05/1036837305.db2.gz JGJNHOMBZXTPJI-WBVHZDCISA-N 0 1 332.425 3.975 20 5 EHBDMN COc1cccc(C[C@H]2CCCN2Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000609144355 1037059956 /nfs/dbraw/zinc/05/99/56/1037059956.db2.gz PUWHTNCMZDAVRD-OAHLLOKOSA-N 0 1 344.386 3.950 20 5 EHBDMN C[C@H](O)CN(Cc1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000493571966 1037459775 /nfs/dbraw/zinc/45/97/75/1037459775.db2.gz IXTSIEWHSLDEJL-LBPRGKRZSA-N 0 1 326.824 3.764 20 5 EHBDMN Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c2cc(Cl)cc(C)c2n1 ZINC000493827481 1037637588 /nfs/dbraw/zinc/63/75/88/1037637588.db2.gz ZSKYVYGSANIJEV-UHFFFAOYSA-N 0 1 345.790 3.722 20 5 EHBDMN COc1cc(CN(Cc2ccc(C)nc2)CC2CC2)ccc1[N+](=O)[O-] ZINC000592146443 1037868483 /nfs/dbraw/zinc/86/84/83/1037868483.db2.gz QIRMHSNBIKUZPB-UHFFFAOYSA-N 0 1 341.411 3.719 20 5 EHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000784396702 1037921833 /nfs/dbraw/zinc/92/18/33/1037921833.db2.gz CSIBABXVHPNHCH-LJQANCHMSA-N 0 1 346.402 3.897 20 5 EHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)c(F)c1 ZINC000539297942 1038765788 /nfs/dbraw/zinc/76/57/88/1038765788.db2.gz XAJLFOUHCSCRHV-YJBOKZPZSA-N 0 1 330.359 3.601 20 5 EHBDMN COc1cccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000485746884 1039507108 /nfs/dbraw/zinc/50/71/08/1039507108.db2.gz UAKVXJKHBQEZGV-KRWDZBQOSA-N 0 1 342.395 3.949 20 5 EHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1SC ZINC000480447378 1039565754 /nfs/dbraw/zinc/56/57/54/1039565754.db2.gz SBGRPWCDYMRFOJ-UHFFFAOYSA-N 0 1 332.425 3.924 20 5 EHBDMN COC(=O)c1ccc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000489980364 1040286331 /nfs/dbraw/zinc/28/63/31/1040286331.db2.gz RESXXDJQWBXAJY-AWEZNQCLSA-N 0 1 342.395 3.883 20 5 EHBDMN Cc1ccc2nc(NC(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000553843655 1040525679 /nfs/dbraw/zinc/52/56/79/1040525679.db2.gz OPMMNVDWWIHCJI-UHFFFAOYSA-N 0 1 338.367 3.696 20 5 EHBDMN CC(=O)c1ccc2c(c1)CCN([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000555665338 1040975522 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EHBDMN Cc1ccc(CN[C@]2(CO)CC[C@@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC001176933653 1133011334 /nfs/dbraw/zinc/01/13/34/1133011334.db2.gz YQAYKXXMRAPHNX-VLIAUNLRSA-N 0 1 340.423 3.778 20 5 EHBDMN COc1ccc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1 ZINC001177203985 1133038915 /nfs/dbraw/zinc/03/89/15/1133038915.db2.gz JVTDXJMBYZGSLT-UHFFFAOYSA-N 0 1 339.351 3.548 20 5 EHBDMN Cc1nn(CN2CCC[C@@H]2CCCc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000767763361 1133048985 /nfs/dbraw/zinc/04/89/85/1133048985.db2.gz NYCKIMSULXIYGD-SFHVURJKSA-N 0 1 342.443 3.853 20 5 EHBDMN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1Cl ZINC000768867741 1133192771 /nfs/dbraw/zinc/19/27/71/1133192771.db2.gz JEQBWJDKIZXMOD-UHFFFAOYSA-N 0 1 347.179 3.702 20 5 EHBDMN Cc1cc(NC[C@@H](C)N2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-] ZINC001185148878 1134047129 /nfs/dbraw/zinc/04/71/29/1134047129.db2.gz IOIYOSFDCHOFQC-CQSZACIVSA-N 0 1 343.402 3.901 20 5 EHBDMN Nc1cc(CCCCNc2ncc([N+](=O)[O-])c3ccccc32)ccn1 ZINC001187739781 1134379154 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ZINC000776606697 1136470069 /nfs/dbraw/zinc/47/00/69/1136470069.db2.gz ZTJZILVGOGNCSL-KRWDZBQOSA-N 0 1 348.349 3.575 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](c1ccccc1)c1ccccn1 ZINC000339020186 1137043550 /nfs/dbraw/zinc/04/35/50/1137043550.db2.gz BQGSESBZVYTWIZ-IBGZPJMESA-N 0 1 335.363 3.575 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CSC[C@H]1OCCc2ccccc21 ZINC000844641574 1137243698 /nfs/dbraw/zinc/24/36/98/1137243698.db2.gz DBGZPLUYUUZTSS-QGZVFWFLSA-N 0 1 331.393 3.848 20 5 EHBDMN Cc1c(Cl)cccc1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000865702993 1137305268 /nfs/dbraw/zinc/30/52/68/1137305268.db2.gz IOOQCJIAXMRBBW-QGZVFWFLSA-N 0 1 334.803 3.554 20 5 EHBDMN CCOCOc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000865788096 1137311969 /nfs/dbraw/zinc/31/19/69/1137311969.db2.gz YPLDEELMLYRCNO-UHFFFAOYSA-N 0 1 330.384 3.566 20 5 EHBDMN O=C(Nc1ccc(C(F)(F)F)c(F)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001148223918 1137419824 /nfs/dbraw/zinc/41/98/24/1137419824.db2.gz VDNCLFFQURZDJN-UHFFFAOYSA-N 0 1 344.220 3.711 20 5 EHBDMN C[C@H](NC[C@H]1OCCc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872046289 1137567479 /nfs/dbraw/zinc/56/74/79/1137567479.db2.gz WDSIRNRBANZDAJ-YVEFUNNKSA-N 0 1 330.359 3.699 20 5 EHBDMN C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872072663 1137569787 /nfs/dbraw/zinc/56/97/87/1137569787.db2.gz IGAYLCFMPULGMC-RFUYNDQBSA-N 0 1 344.386 3.551 20 5 EHBDMN C[C@H](N[C@@H](C)[C@](C)(O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082842 1137570266 /nfs/dbraw/zinc/57/02/66/1137570266.db2.gz BZMZTVNTPDFLRM-LXIYXOSZSA-N 0 1 332.375 3.681 20 5 EHBDMN COc1cccc2c1OCC[C@H]2NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873132792 1137590976 /nfs/dbraw/zinc/59/09/76/1137590976.db2.gz GNFFYZWNRIXGFQ-MRXNPFEDSA-N 0 1 342.395 3.834 20 5 EHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(C(F)(F)F)nc1 ZINC000873185397 1137593168 /nfs/dbraw/zinc/59/31/68/1137593168.db2.gz JHRPHWKBNOHCDS-VIFPVBQESA-N 0 1 341.289 3.565 20 5 EHBDMN COc1ccc(CN[C@H]2c3ccccc3NC2(C)C)cc1[N+](=O)[O-] ZINC000883462859 1137861129 /nfs/dbraw/zinc/86/11/29/1137861129.db2.gz BQQVXAOWKYFXHI-KRWDZBQOSA-N 0 1 327.384 3.638 20 5 EHBDMN Cc1nc(C)c([C@@H](C)N(C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000106876526 1137884868 /nfs/dbraw/zinc/88/48/68/1137884868.db2.gz FYLJRFXMKUTUMQ-GFCCVEGCSA-N 0 1 335.429 3.740 20 5 EHBDMN Cc1c(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)ccc1[N+](=O)[O-] ZINC000800149146 1137899699 /nfs/dbraw/zinc/89/96/99/1137899699.db2.gz NPORHIIXJPOQRK-UHFFFAOYSA-N 0 1 346.211 3.851 20 5 EHBDMN COCC[C@H]1CCCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000332200169 1137935363 /nfs/dbraw/zinc/93/53/63/1137935363.db2.gz BYDUUWRGQKTCHK-CYBMUJFWSA-N 0 1 326.824 3.887 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000135226348 1137964756 /nfs/dbraw/zinc/96/47/56/1137964756.db2.gz FNCXHPUHIQDXAF-GOSISDBHSA-N 0 1 346.814 3.946 20 5 EHBDMN Cc1nc(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000884707014 1137969804 /nfs/dbraw/zinc/96/98/04/1137969804.db2.gz VVBLNTLUCOUBEZ-UHFFFAOYSA-N 0 1 334.807 3.972 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000090666168 1138212914 /nfs/dbraw/zinc/21/29/14/1138212914.db2.gz VLAUDBPEESMKJN-SNVBAGLBSA-N 0 1 342.321 3.506 20 5 EHBDMN Cc1ccc([C@H](C)NCc2ccc(OCC3CC3)nc2)cc1[N+](=O)[O-] ZINC000131322466 1138509892 /nfs/dbraw/zinc/50/98/92/1138509892.db2.gz DWUQBQNVXPPAPZ-AWEZNQCLSA-N 0 1 341.411 3.938 20 5 EHBDMN Cc1ccc(CNCc2ccccc2[N+](=O)[O-])c(-c2cnn(C)c2)c1 ZINC000338428464 1138909727 /nfs/dbraw/zinc/90/97/27/1138909727.db2.gz DCIIYQKQHDBYHL-UHFFFAOYSA-N 0 1 336.395 3.594 20 5 EHBDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283034158 1138942598 /nfs/dbraw/zinc/94/25/98/1138942598.db2.gz HVISBOMKWSLRIK-LLVKDONJSA-N 0 1 334.395 3.845 20 5 EHBDMN O=[N+]([O-])c1cnn(CCN(Cc2cccs2)Cc2cccs2)c1 ZINC000174812021 1139443466 /nfs/dbraw/zinc/44/34/66/1139443466.db2.gz HTNYEVOQDANTRR-UHFFFAOYSA-N 0 1 348.453 3.617 20 5 EHBDMN CCOc1cccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000178729395 1139715145 /nfs/dbraw/zinc/71/51/45/1139715145.db2.gz BDTZEATYPQUAIP-CYBMUJFWSA-N 0 1 330.384 3.853 20 5 EHBDMN COc1cc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000182747610 1139989741 /nfs/dbraw/zinc/98/97/41/1139989741.db2.gz JMRRIISHKBMBTK-CYBMUJFWSA-N 0 1 330.384 3.810 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000271548369 1141394607 /nfs/dbraw/zinc/39/46/07/1141394607.db2.gz LXOIEWHQHCRWNL-PXAZEXFGSA-N 0 1 334.803 3.941 20 5 EHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000339134004 1141506515 /nfs/dbraw/zinc/50/65/15/1141506515.db2.gz RYFYDVQYKDMZAI-SSDOTTSWSA-N 0 1 347.318 3.627 20 5 EHBDMN C[C@@H](O)C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339137753 1141506854 /nfs/dbraw/zinc/50/68/54/1141506854.db2.gz GBVYMPDFSRTHBX-DGCLKSJQSA-N 0 1 346.349 3.739 20 5 EHBDMN Cc1cccc(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000071948907 203154424 /nfs/dbraw/zinc/15/44/24/203154424.db2.gz YTFOGTVVMGOEMQ-UHFFFAOYSA-N 0 1 339.439 3.576 20 5 EHBDMN CCc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000830362638 601413586 /nfs/dbraw/zinc/41/35/86/601413586.db2.gz FSARKYZEFWYBIZ-UHFFFAOYSA-N 0 1 346.383 3.859 20 5 EHBDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000829026131 604652935 /nfs/dbraw/zinc/65/29/35/604652935.db2.gz GXRYUCMCGSFQHZ-MRXNPFEDSA-N 0 1 328.368 3.633 20 5 EHBDMN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001602867383 971729997 /nfs/dbraw/zinc/72/99/97/971729997.db2.gz NCWZMEPJLQDZBH-UHFFFAOYSA-N 0 1 348.321 3.546 20 5 EHBDMN Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592969494 974977144 /nfs/dbraw/zinc/97/71/44/974977144.db2.gz YZFSPFNIRLFXSI-CQSZACIVSA-N 0 1 349.431 3.668 20 5 EHBDMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593737894 974985333 /nfs/dbraw/zinc/98/53/33/974985333.db2.gz YUFFHGQPISBRES-HNNXBMFYSA-N 0 1 334.416 3.941 20 5 EHBDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595500385 981272218 /nfs/dbraw/zinc/27/22/18/981272218.db2.gz ZACBFAXJHIICLF-QGZVFWFLSA-N 0 1 340.379 3.630 20 5 EHBDMN CCOc1ccc([C@@H](C)NCc2sc(C)nc2C)cc1[N+](=O)[O-] ZINC000154003190 1014784920 /nfs/dbraw/zinc/78/49/20/1014784920.db2.gz IPFUPSPVWIYIQV-SNVBAGLBSA-N 0 1 335.429 3.918 20 5 EHBDMN Cc1cnc(CC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000157732856 1015410631 /nfs/dbraw/zinc/41/06/31/1015410631.db2.gz AZZUUEFWZSNQQO-UHFFFAOYSA-N 0 1 349.456 3.821 20 5 EHBDMN Cc1cnc(CCN(C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)s1 ZINC000157732856 1015410635 /nfs/dbraw/zinc/41/06/35/1015410635.db2.gz AZZUUEFWZSNQQO-UHFFFAOYSA-N 0 1 349.456 3.821 20 5 EHBDMN Cc1cc(C)c(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000154970000 1016007144 /nfs/dbraw/zinc/00/71/44/1016007144.db2.gz BRIMWDWSDJHQDZ-OAHLLOKOSA-N 0 1 341.411 3.809 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccc2nc(C)ccc2c1 ZINC000189319621 1016504811 /nfs/dbraw/zinc/50/48/11/1016504811.db2.gz PHAJZVJWIZKQTJ-UHFFFAOYSA-N 0 1 337.379 3.750 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3NCC[C@@H]4CCCC[C@H]34)n2)s1 ZINC000904689498 1032183659 /nfs/dbraw/zinc/18/36/59/1032183659.db2.gz KGNKJMSUAAVPIG-OUJBWJOFSA-N 0 1 334.401 3.547 20 5 EHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1nc(C(F)(F)F)cs1 ZINC000449161613 1032274791 /nfs/dbraw/zinc/27/47/91/1032274791.db2.gz GBQCVBCWWUFKEI-VIFPVBQESA-N 0 1 345.346 3.791 20 5 EHBDMN C[N@@H+](CCCC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414637880 1017089174 /nfs/dbraw/zinc/08/91/74/1017089174.db2.gz NFQFYYFCDOQQQH-UHFFFAOYSA-N 0 1 334.397 3.620 20 5 EHBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000120904119 1017183900 /nfs/dbraw/zinc/18/39/00/1017183900.db2.gz SZVXCVSXFYYQPW-ZBFHGGJFSA-N 0 1 334.807 3.718 20 5 EHBDMN CC(=O)Nc1cccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000155454307 1017726641 /nfs/dbraw/zinc/72/66/41/1017726641.db2.gz ZPFITNNZMISURD-CYBMUJFWSA-N 0 1 327.384 3.712 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579995063 1018006121 /nfs/dbraw/zinc/00/61/21/1018006121.db2.gz WUIJCVVYXAGBIL-RYUDHWBXSA-N 0 1 336.436 3.728 20 5 EHBDMN O=C(c1ccccc1)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052412035 1018934590 /nfs/dbraw/zinc/93/45/90/1018934590.db2.gz UPRCLOQSJCGSGF-UHFFFAOYSA-N 0 1 338.407 3.732 20 5 EHBDMN CCOC[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602467017 1032903255 /nfs/dbraw/zinc/90/32/55/1032903255.db2.gz CKYQHVQUDZVJQF-GFCCVEGCSA-N 0 1 346.349 3.862 20 5 EHBDMN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])s1)N1CCCC1 ZINC000610514191 1021151687 /nfs/dbraw/zinc/15/16/87/1021151687.db2.gz KIQVVOAWNLKDPP-CQSZACIVSA-N 0 1 347.440 3.914 20 5 EHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](C2CCCCC2)C1 ZINC000598151244 1032964791 /nfs/dbraw/zinc/96/47/91/1032964791.db2.gz RTFMOLDJQRHPBE-ZDUSSCGKSA-N 0 1 342.399 3.514 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CCCN(Cc3ccc(F)cc3)CC2)cs1 ZINC000054173354 1021294090 /nfs/dbraw/zinc/29/40/90/1021294090.db2.gz QLZOBBWINYIHSE-UHFFFAOYSA-N 0 1 349.431 3.503 20 5 EHBDMN Cc1ccccc1O[C@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602559064 1032973561 /nfs/dbraw/zinc/97/35/61/1032973561.db2.gz SRYMAVKUSIHQFF-CYBMUJFWSA-N 0 1 341.367 3.602 20 5 EHBDMN O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000322943097 1021474774 /nfs/dbraw/zinc/47/47/74/1021474774.db2.gz MUOVGBZQCTTXOG-SRCQZFHVSA-N 0 1 338.835 3.764 20 5 EHBDMN C[C@H](N[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000602584344 1033004476 /nfs/dbraw/zinc/00/44/76/1033004476.db2.gz ZTUFTCAAUNZCMU-BLLLJJGKSA-N 0 1 329.404 3.685 20 5 EHBDMN CCN(Cc1ccc2c(c1)OCO2)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000506046362 1021812460 /nfs/dbraw/zinc/81/24/60/1021812460.db2.gz VNRZPTZISIUMHT-UHFFFAOYSA-N 0 1 328.368 3.654 20 5 EHBDMN C[C@@H](N[C@@H](Cn1cccn1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000610538626 1021820496 /nfs/dbraw/zinc/82/04/96/1021820496.db2.gz YBKGZFPMCCXXRY-BEFAXECRSA-N 0 1 336.395 3.883 20 5 EHBDMN C[C@@H](CC(F)(F)F)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612449 1033027017 /nfs/dbraw/zinc/02/70/17/1033027017.db2.gz RSUHSXQZAKXTJK-YFKPBYRVSA-N 0 1 347.156 3.849 20 5 EHBDMN CC(C)N(Cc1cnn(C)c1C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000891626379 1022148146 /nfs/dbraw/zinc/14/81/46/1022148146.db2.gz XNDQEPPZRHMRKN-UHFFFAOYSA-N 0 1 328.416 3.616 20 5 EHBDMN CCO[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C12CCCC2 ZINC000517287582 1022214384 /nfs/dbraw/zinc/21/43/84/1022214384.db2.gz MSYJNNALQMBIPL-JKSUJKDBSA-N 0 1 345.399 3.563 20 5 EHBDMN Cc1ccccc1[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000441440471 1022802619 /nfs/dbraw/zinc/80/26/19/1022802619.db2.gz QFFDFVFOIBGWQN-JXFKEZNVSA-N 0 1 340.423 3.908 20 5 EHBDMN Cc1ccccc1[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000441440471 1022802635 /nfs/dbraw/zinc/80/26/35/1022802635.db2.gz QFFDFVFOIBGWQN-JXFKEZNVSA-N 0 1 340.423 3.908 20 5 EHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000341741238 1023228882 /nfs/dbraw/zinc/22/88/82/1023228882.db2.gz 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3.853 20 5 EHBDMN CC(C)OC(=O)C[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000274275499 1141492176 /nfs/dbraw/zinc/49/21/76/1141492176.db2.gz BYVYDFNBGKKQDA-HUUCEWRRSA-N 0 1 334.416 3.710 20 5 EHBDMN CN(C)Cc1cnc(/C=C\c2ccc3c(cccc3[N+](=O)[O-])n2)s1 ZINC000349113696 1141641342 /nfs/dbraw/zinc/64/13/42/1141641342.db2.gz STKYXEVTJDWZQX-CLFYSBASSA-N 0 1 340.408 3.832 20 5 EHBDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000263382034 962539342 /nfs/dbraw/zinc/53/93/42/962539342.db2.gz BWHWLCLHRVDEPN-KRWDZBQOSA-N 0 1 340.379 3.673 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000593733446 974984511 /nfs/dbraw/zinc/98/45/11/974984511.db2.gz ULUPERWAHCWGAJ-QGZVFWFLSA-N 0 1 340.379 3.500 20 5 EHBDMN CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738498 974984912 /nfs/dbraw/zinc/98/49/12/974984912.db2.gz TZXYPFSTBIYYIY-QGZVFWFLSA-N 0 1 342.395 3.746 20 5 EHBDMN CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593742425 974986939 /nfs/dbraw/zinc/98/69/39/974986939.db2.gz LRMQUFUUCVKFKV-GDBMZVCRSA-N 0 1 346.427 3.941 20 5 EHBDMN CC[C@@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000598462891 1014633921 /nfs/dbraw/zinc/63/39/21/1014633921.db2.gz TWDBONMFPUXHMF-GXTWGEPZSA-N 0 1 342.399 3.778 20 5 EHBDMN CC[C@@](C)(C(=O)[O-])[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC001594787411 981819692 /nfs/dbraw/zinc/81/96/92/981819692.db2.gz CRZCFWAHIAWSTI-INIZCTEOSA-N 0 1 340.807 3.714 20 5 EHBDMN COCCCOc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000154849726 1015857964 /nfs/dbraw/zinc/85/79/64/1015857964.db2.gz BPAMKLFDTUFSTP-HNNXBMFYSA-N 0 1 344.411 3.861 20 5 EHBDMN Cc1cccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000154971925 1016014051 /nfs/dbraw/zinc/01/40/51/1016014051.db2.gz GRFRHOMCTHTTQK-HNNXBMFYSA-N 0 1 341.411 3.809 20 5 EHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247115723 1016533568 /nfs/dbraw/zinc/53/35/68/1016533568.db2.gz RLQIJHSZSDBTOM-LVQVYYBASA-N 0 1 347.459 3.732 20 5 EHBDMN CC(C)C[C@@H](N)c1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000414619520 1017066978 /nfs/dbraw/zinc/06/69/78/1017066978.db2.gz ODRWVLQSPVSBLY-LLVKDONJSA-N 0 1 344.293 3.710 20 5 EHBDMN Cc1c(-c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)cccc1[N+](=O)[O-] ZINC000904732882 1032221253 /nfs/dbraw/zinc/22/12/53/1032221253.db2.gz FTKXKGIMPGMHRR-IVMMDQJWSA-N 0 1 342.399 3.794 20 5 EHBDMN CCN(C(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000538277866 1032265708 /nfs/dbraw/zinc/26/57/08/1032265708.db2.gz YREQWRBILUFUKL-HNNXBMFYSA-N 0 1 347.459 3.735 20 5 EHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459582417 1032280347 /nfs/dbraw/zinc/28/03/47/1032280347.db2.gz RFQCDNIFWNGRPS-QGZVFWFLSA-N 0 1 338.411 3.642 20 5 EHBDMN C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000449362665 1032498445 /nfs/dbraw/zinc/49/84/45/1032498445.db2.gz LPMGJTLEQBOFRO-AXFHLTTASA-N 0 1 332.322 3.852 20 5 EHBDMN CC[C@H](C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000449403236 1032525855 /nfs/dbraw/zinc/52/58/55/1032525855.db2.gz VLMVMGRRFQDXCF-LRDDRELGSA-N 0 1 349.456 3.869 20 5 EHBDMN CC[C@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000593064132 1032664541 /nfs/dbraw/zinc/66/45/41/1032664541.db2.gz KKXOSOVYSIVDNN-WFASDCNBSA-N 0 1 345.374 3.802 20 5 EHBDMN O=C(C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000177392059 1017660969 /nfs/dbraw/zinc/66/09/69/1017660969.db2.gz HUSQSINEHIXVCK-HNNXBMFYSA-N 0 1 330.409 3.894 20 5 EHBDMN C[C@H]1c2ccc(F)cc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000610003615 1017983824 /nfs/dbraw/zinc/98/38/24/1017983824.db2.gz BNJCNQBRFPCKOU-ZDUSSCGKSA-N 0 1 330.359 3.732 20 5 EHBDMN C[C@@H](N[C@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422092 1019029199 /nfs/dbraw/zinc/02/91/99/1019029199.db2.gz YRUHTUPVMLEHFU-DNVCBOLYSA-N 0 1 336.395 3.883 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000182344504 1019458766 /nfs/dbraw/zinc/45/87/66/1019458766.db2.gz BGRQCTPADOIZCK-LBPRGKRZSA-N 0 1 347.802 3.846 20 5 EHBDMN Cc1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000513380836 1019584913 /nfs/dbraw/zinc/58/49/13/1019584913.db2.gz MODKPCPFXTYVOC-MRXNPFEDSA-N 0 1 340.379 3.969 20 5 EHBDMN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000183144695 1020392764 /nfs/dbraw/zinc/39/27/64/1020392764.db2.gz DFUOOEFZZULESL-CYBMUJFWSA-N 0 1 340.358 3.770 20 5 EHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000602485462 1032912956 /nfs/dbraw/zinc/91/29/56/1032912956.db2.gz QRDDEVWPNMBQBA-JSGCOSHPSA-N 0 1 344.333 3.615 20 5 EHBDMN COc1ccccc1C[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000506564521 1021406485 /nfs/dbraw/zinc/40/64/85/1021406485.db2.gz UXGNKLLOVYMERQ-OAHLLOKOSA-N 0 1 344.386 3.950 20 5 EHBDMN CCCCOc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000505936370 1021489870 /nfs/dbraw/zinc/48/98/70/1021489870.db2.gz UOAQNCBGJYKCTQ-UHFFFAOYSA-N 0 1 330.340 3.732 20 5 EHBDMN COc1cccc([C@H](CNc2sccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000302010475 1021608703 /nfs/dbraw/zinc/60/87/03/1021608703.db2.gz YGDODTQJMJYACK-INIZCTEOSA-N 0 1 347.440 3.914 20 5 EHBDMN COc1cccc([C@H]2C[C@@H](C)C[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000518991400 1021759534 /nfs/dbraw/zinc/75/95/34/1021759534.db2.gz JGCQMTMRXJTXEI-BFUOFWGJSA-N 0 1 342.395 3.892 20 5 EHBDMN COCc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccc1F ZINC000581893799 1022183801 /nfs/dbraw/zinc/18/38/01/1022183801.db2.gz ATBRINMBFSNEAV-KRWDZBQOSA-N 0 1 330.359 3.657 20 5 EHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000441419767 1022288474 /nfs/dbraw/zinc/28/84/74/1022288474.db2.gz UIRQLMQUNMNMCR-CQSZACIVSA-N 0 1 344.411 3.675 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)N2CC[C@H](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000546126937 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XZECTZCYCWNJKW-AWEZNQCLSA-N 0 1 329.400 3.938 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc2cc[nH]c21 ZINC000342299553 1024757556 /nfs/dbraw/zinc/75/75/56/1024757556.db2.gz BKKICQYUDHPXOD-UHFFFAOYSA-N 0 1 325.368 3.765 20 5 EHBDMN O=C(NCC1(c2ccccc2)CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427926777 1024892238 /nfs/dbraw/zinc/89/22/38/1024892238.db2.gz SWRVQQPPTBTULY-UHFFFAOYSA-N 0 1 340.379 3.542 20 5 EHBDMN CC[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427988715 1024927028 /nfs/dbraw/zinc/92/70/28/1024927028.db2.gz PUOSCVIWSBWOBO-QGZVFWFLSA-N 0 1 339.395 3.807 20 5 EHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCCC1=CCCCC1 ZINC000451105720 1025541297 /nfs/dbraw/zinc/54/12/97/1025541297.db2.gz MYBUSXLGTKIJHU-GJZGRUSLSA-N 0 1 345.443 3.641 20 5 EHBDMN Cn1cc(CN[C@@H](c2ccc(F)cc2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000602966599 1033291242 /nfs/dbraw/zinc/29/12/42/1033291242.db2.gz LDVDYLIWGXEKEZ-QGZVFWFLSA-N 0 1 346.406 3.879 20 5 EHBDMN Cc1cc(CO)cc(C)c1CNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000896556922 1025599994 /nfs/dbraw/zinc/59/99/94/1025599994.db2.gz AFVZHFPDEAUKTO-UHFFFAOYSA-N 0 1 334.803 3.647 20 5 EHBDMN Cc1cc([C@@H](C)NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1F ZINC000451160592 1025615786 /nfs/dbraw/zinc/61/57/86/1025615786.db2.gz FMVBZKWVSXHGHH-CYBMUJFWSA-N 0 1 345.374 3.640 20 5 EHBDMN COc1cc(CN2C[C@@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000347200900 1025641953 /nfs/dbraw/zinc/64/19/53/1025641953.db2.gz OGEPLPOIFJVRNC-GUYCJALGSA-N 0 1 327.384 3.582 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)N2CCC(C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000444213305 1025918022 /nfs/dbraw/zinc/91/80/22/1025918022.db2.gz ORAPRQTVASXLBQ-CQSZACIVSA-N 0 1 333.432 3.598 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@H](c1cccs1)C1(CO)CCC1 ZINC000452060201 1026471438 /nfs/dbraw/zinc/47/14/38/1026471438.db2.gz LVTUBUZLHKYQRW-MRXNPFEDSA-N 0 1 332.425 3.650 20 5 EHBDMN COCCOc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531701071 1027221417 /nfs/dbraw/zinc/22/14/17/1027221417.db2.gz GWMCGQWHBGQDAU-HNNXBMFYSA-N 0 1 344.411 3.779 20 5 EHBDMN CC(C)Cn1cc(Nc2ncc([N+](=O)[O-])cc2F)c(C(F)F)n1 ZINC000413216471 1027294889 /nfs/dbraw/zinc/29/48/89/1027294889.db2.gz SIHCIMJQRZKLEW-UHFFFAOYSA-N 0 1 329.282 3.663 20 5 EHBDMN CC(=O)Nc1cccc([C@@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000293761156 1027662008 /nfs/dbraw/zinc/66/20/08/1027662008.db2.gz OXEUHSIFRNSDDK-VXGBXAGGSA-N 0 1 342.399 3.547 20 5 EHBDMN Cc1ccc(F)c(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000444744082 1028230026 /nfs/dbraw/zinc/23/00/26/1028230026.db2.gz NVLCRHLBDVMZQP-UHFFFAOYSA-N 0 1 345.374 3.503 20 5 EHBDMN Cc1cc(Cc2noc(-c3ccc(O)c(Cl)c3)n2)ccc1[N+](=O)[O-] ZINC000445232913 1028626039 /nfs/dbraw/zinc/62/60/39/1028626039.db2.gz HOULMLWGVUSQAN-UHFFFAOYSA-N 0 1 345.742 3.903 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)[N@@H+](C)CC2CCCCC2)cccc1[N+](=O)[O-] ZINC000532755661 1028800090 /nfs/dbraw/zinc/80/00/90/1028800090.db2.gz IWKMMVPETHRMAP-CQSZACIVSA-N 0 1 333.432 3.742 20 5 EHBDMN COc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000324317466 1029305674 /nfs/dbraw/zinc/30/56/74/1029305674.db2.gz XPWPRYZVNHKDJR-UHFFFAOYSA-N 0 1 333.344 3.911 20 5 EHBDMN COc1ccccc1[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])N(C)C ZINC000248184783 1029481603 /nfs/dbraw/zinc/48/16/03/1029481603.db2.gz GWTKNNOSFLNJSY-INIZCTEOSA-N 0 1 349.818 3.972 20 5 EHBDMN CCNC(=O)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000156504752 1029860021 /nfs/dbraw/zinc/86/00/21/1029860021.db2.gz KTUTUMXTTWYIFW-CQSZACIVSA-N 0 1 341.411 3.504 20 5 EHBDMN C[C@H]1CCCC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448658511 1031425363 /nfs/dbraw/zinc/42/53/63/1031425363.db2.gz SZNKSCFXNZZWPL-YVEFUNNKSA-N 0 1 342.399 3.636 20 5 EHBDMN Cc1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1[N+](=O)[O-] ZINC000484113842 1031464568 /nfs/dbraw/zinc/46/45/68/1031464568.db2.gz KGIWZNCBFZNKCB-UHFFFAOYSA-N 0 1 348.405 3.919 20 5 EHBDMN COc1cc(CSc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000484631036 1031825285 /nfs/dbraw/zinc/82/52/85/1031825285.db2.gz RHJLXGCTCJFGLP-UHFFFAOYSA-N 0 1 342.380 3.681 20 5 EHBDMN COc1ccc2c(c1)OCC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594496550 1033398591 /nfs/dbraw/zinc/39/85/91/1033398591.db2.gz NEUCNGRPPBDALG-SJORKVTESA-N 0 1 340.379 3.704 20 5 EHBDMN CCC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594597641 1033444218 /nfs/dbraw/zinc/44/42/18/1033444218.db2.gz DGOHZZQYLWFVPN-ZBFHGGJFSA-N 0 1 331.416 3.616 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC1CC1 ZINC000598956143 1033609043 /nfs/dbraw/zinc/60/90/43/1033609043.db2.gz XXZCOBHACKEUSH-ZDUSSCGKSA-N 0 1 342.395 3.995 20 5 EHBDMN CC(=O)c1ccc(NC[C@H]2CCN2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126249 1033746719 /nfs/dbraw/zinc/74/67/19/1033746719.db2.gz FERUDIXYDRCYLP-MRXNPFEDSA-N 0 1 331.416 3.616 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000595389159 1033787577 /nfs/dbraw/zinc/78/75/77/1033787577.db2.gz LWQQTGLXLNKICL-LJQANCHMSA-N 0 1 344.386 3.507 20 5 EHBDMN CC(C)[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000595686136 1033944579 /nfs/dbraw/zinc/94/45/79/1033944579.db2.gz QHMPYUONVQXPSR-GOSISDBHSA-N 0 1 345.374 3.659 20 5 EHBDMN C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1CCO ZINC000595696272 1033950556 /nfs/dbraw/zinc/95/05/56/1033950556.db2.gz KAVRNQYCQWUPBP-NHYWBVRUSA-N 0 1 346.349 3.597 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCCOc1ccccc1C ZINC000603869831 1033997102 /nfs/dbraw/zinc/99/71/02/1033997102.db2.gz OQIZTSZEILWXQT-UHFFFAOYSA-N 0 1 344.411 3.813 20 5 EHBDMN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000603969777 1034080776 /nfs/dbraw/zinc/08/07/76/1034080776.db2.gz LSEQKYILGUAWSU-UHFFFAOYSA-N 0 1 340.788 3.666 20 5 EHBDMN Cc1cc([C@H](C)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000179371741 1034163431 /nfs/dbraw/zinc/16/34/31/1034163431.db2.gz IKVWHXWNEZJVGS-RYUDHWBXSA-N 0 1 347.440 3.951 20 5 EHBDMN Cc1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000179375738 1034257106 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20 5 EHBDMN COc1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000179907144 1035010647 /nfs/dbraw/zinc/01/06/47/1035010647.db2.gz YIJOWODXVLFPAI-MRXNPFEDSA-N 0 1 342.395 3.731 20 5 EHBDMN COc1cc(CN(C)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])cc1OC ZINC000179907144 1035010651 /nfs/dbraw/zinc/01/06/51/1035010651.db2.gz YIJOWODXVLFPAI-MRXNPFEDSA-N 0 1 342.395 3.731 20 5 EHBDMN COc1c(O)ccc(CN[C@@H](c2ccc(C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000892527646 1035424038 /nfs/dbraw/zinc/42/40/38/1035424038.db2.gz VFCGHIHBHDPIIL-KRWDZBQOSA-N 0 1 342.395 3.858 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000540750706 1035640373 /nfs/dbraw/zinc/64/03/73/1035640373.db2.gz MSGJJOXPVSQWQJ-CYBMUJFWSA-N 0 1 340.379 3.972 20 5 EHBDMN CCOc1cc(CN(C)Cc2ccc(OC)c(C)c2)ccc1[N+](=O)[O-] ZINC000492603703 1036058147 /nfs/dbraw/zinc/05/81/47/1036058147.db2.gz CAUYYKZDYNTECB-UHFFFAOYSA-N 0 1 344.411 3.943 20 5 EHBDMN CN(CCOC(C)(C)C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590162695 1036778570 /nfs/dbraw/zinc/77/85/70/1036778570.db2.gz BTTLKDMVWWVYKT-UHFFFAOYSA-N 0 1 334.338 3.861 20 5 EHBDMN Cc1cc(NC[C@H](O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302187279 1037490496 /nfs/dbraw/zinc/49/04/96/1037490496.db2.gz PXJZYROOMKEJDC-SFHVURJKSA-N 0 1 341.342 3.736 20 5 EHBDMN C[C@@H](CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000532518770 1037559470 /nfs/dbraw/zinc/55/94/70/1037559470.db2.gz UWNOFEHWLFBNRQ-GJZGRUSLSA-N 0 1 341.411 3.657 20 5 EHBDMN C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000591822232 1037637066 /nfs/dbraw/zinc/63/70/66/1037637066.db2.gz LHQWWMCWPZDYFL-GFCCVEGCSA-N 0 1 332.429 3.689 20 5 EHBDMN COc1ccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000046037859 1037730199 /nfs/dbraw/zinc/73/01/99/1037730199.db2.gz PLKDVUQYJARRFF-KRWDZBQOSA-N 0 1 342.395 3.949 20 5 EHBDMN COc1cc(CNC2(c3cccc(F)c3)CCC2)ccc1[N+](=O)[O-] ZINC000592145754 1037874808 /nfs/dbraw/zinc/87/48/08/1037874808.db2.gz ZGDNCNORTWNMSO-UHFFFAOYSA-N 0 1 330.359 3.912 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CCC3(C2)CCCCC3)c2c(c1)COCO2 ZINC000408072211 1038634547 /nfs/dbraw/zinc/63/45/47/1038634547.db2.gz NCMHKPYPOWWPKU-UHFFFAOYSA-N 0 1 332.400 3.618 20 5 EHBDMN CCOc1ccc2nc(Sc3c([N+](=O)[O-])c(C)nn3CC)[nH]c2c1 ZINC000479863187 1038837262 /nfs/dbraw/zinc/83/72/62/1038837262.db2.gz RBXSHMBKEKFQOW-UHFFFAOYSA-N 0 1 347.400 3.546 20 5 EHBDMN COc1c(O)ccc(CN[C@H]2c3ccccc3CC[C@H]2C)c1[N+](=O)[O-] ZINC000893269349 1038941063 /nfs/dbraw/zinc/94/10/63/1038941063.db2.gz NWJZKKHFDURHLP-SJKOYZFVSA-N 0 1 342.395 3.722 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000485720229 1039461123 /nfs/dbraw/zinc/46/11/23/1039461123.db2.gz XNQAGGHNLITWIT-INIZCTEOSA-N 0 1 325.412 3.786 20 5 EHBDMN CCCCC[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000486785935 1040460455 /nfs/dbraw/zinc/46/04/55/1040460455.db2.gz FQJTXCRMPJJNTR-CQSZACIVSA-N 0 1 349.431 3.587 20 5 EHBDMN CCc1ccc([C@H](NCCC[C@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433057573 1040595122 /nfs/dbraw/zinc/59/51/22/1040595122.db2.gz MLWYGGMNOVAUOV-SCLBCKFNSA-N 0 1 332.400 3.590 20 5 EHBDMN CC(C)(C(=O)Nc1cccc(Cl)c1O)c1ccccc1[N+](=O)[O-] ZINC000490747620 1040720243 /nfs/dbraw/zinc/72/02/43/1040720243.db2.gz TZRCIQGSLUDFOE-UHFFFAOYSA-N 0 1 334.759 3.870 20 5 EHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685475 1041010046 /nfs/dbraw/zinc/01/00/46/1041010046.db2.gz CSGISAQXKAAVBT-INIZCTEOSA-N 0 1 348.786 3.607 20 5 EHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685475 1041010058 /nfs/dbraw/zinc/01/00/58/1041010058.db2.gz CSGISAQXKAAVBT-INIZCTEOSA-N 0 1 348.786 3.607 20 5 EHBDMN C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000044653066 1041185704 /nfs/dbraw/zinc/18/57/04/1041185704.db2.gz ZJBKBHNNMCSCTM-SECBINFHSA-N 0 1 344.758 3.616 20 5 EHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCS[C@H](C)CC1 ZINC000249142573 1042533750 /nfs/dbraw/zinc/53/37/50/1042533750.db2.gz ZPILTHLLYYXTRN-VXGBXAGGSA-N 0 1 348.428 3.533 20 5 EHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCS[C@H](C)CC1 ZINC000249142573 1042533753 /nfs/dbraw/zinc/53/37/53/1042533753.db2.gz ZPILTHLLYYXTRN-VXGBXAGGSA-N 0 1 348.428 3.533 20 5 EHBDMN COc1ccc([C@@H]2CCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000051560028 1042782973 /nfs/dbraw/zinc/78/29/73/1042782973.db2.gz KDZBVNLQCZAXAV-KRWDZBQOSA-N 0 1 342.395 3.949 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 ZINC000338661819 1128010346 /nfs/dbraw/zinc/01/03/46/1128010346.db2.gz ITTSGQLIDWTFPL-KRWDZBQOSA-N 0 1 345.399 3.754 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000196789675 1128212104 /nfs/dbraw/zinc/21/21/04/1128212104.db2.gz JPHMBAZUJIXNPD-UHFFFAOYSA-N 0 1 342.370 3.902 20 5 EHBDMN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)C[N@H+]1Cc1ccccc1 ZINC000301636018 1128776556 /nfs/dbraw/zinc/77/65/56/1128776556.db2.gz WRDYUQICNGYRKI-GXTWGEPZSA-N 0 1 346.818 3.718 20 5 EHBDMN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1Cc1ccccc1 ZINC000301636018 1128776561 /nfs/dbraw/zinc/77/65/61/1128776561.db2.gz WRDYUQICNGYRKI-GXTWGEPZSA-N 0 1 346.818 3.718 20 5 EHBDMN Cn1ccnc1[C@H](NCC1(C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272475955 1121658629 /nfs/dbraw/zinc/65/86/29/1121658629.db2.gz BGCQPLOSASDSQB-MRXNPFEDSA-N 0 1 328.416 3.588 20 5 EHBDMN CCC1(CN[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000272565515 1121719870 /nfs/dbraw/zinc/71/98/70/1121719870.db2.gz UYUQLWGNSGAPOH-MRXNPFEDSA-N 0 1 328.416 3.588 20 5 EHBDMN COc1ccccc1[C@H](CNc1c(C)cccc1[N+](=O)[O-])N(C)C ZINC000301203698 1122511543 /nfs/dbraw/zinc/51/15/43/1122511543.db2.gz XUNXHZFSSZJDLN-INIZCTEOSA-N 0 1 329.400 3.627 20 5 EHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000918499550 1122827767 /nfs/dbraw/zinc/82/77/67/1122827767.db2.gz NAUKPWZOYACGKB-UHFFFAOYSA-N 0 1 337.335 3.650 20 5 EHBDMN C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007783595 1123353506 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COc1ccc(CN2CC[C@@H](C(F)(F)F)C2(C)C)cc1[N+](=O)[O-] ZINC000330961008 1129649779 /nfs/dbraw/zinc/64/97/79/1129649779.db2.gz JMLMJWGCHJEKBS-CYBMUJFWSA-N 0 1 332.322 3.766 20 5 EHBDMN Cc1cc(N[C@H](C)C[C@@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302088405 1129767786 /nfs/dbraw/zinc/76/77/86/1129767786.db2.gz OJOHFICLBUSSNZ-SJKOYZFVSA-N 0 1 341.367 3.969 20 5 EHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(F)ccc1F ZINC000056197015 1129806000 /nfs/dbraw/zinc/80/60/00/1129806000.db2.gz XPPKPPRQHOSSCX-QWRGUYRKSA-N 0 1 349.337 3.551 20 5 EHBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H](c3ccccc3F)C2)c1 ZINC000730454181 1130711804 /nfs/dbraw/zinc/71/18/04/1130711804.db2.gz IONRHSXAXOMGDC-CYBMUJFWSA-N 0 1 340.358 3.531 20 5 EHBDMN C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000731892954 1130857333 /nfs/dbraw/zinc/85/73/33/1130857333.db2.gz LDMRXZVQNJNGRD-QINHECLXSA-N 0 1 340.423 3.988 20 5 EHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](c1ccccc1)c1cccnn1 ZINC001173231520 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3.589 20 5 EHBDMN CCc1nn(C)c(N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000769878892 1133363441 /nfs/dbraw/zinc/36/34/41/1133363441.db2.gz GZEBODJQDHZWDX-QMMMGPOBSA-N 0 1 348.794 3.594 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc3c1OCCO3)CCC2 ZINC000774241333 1133640308 /nfs/dbraw/zinc/64/03/08/1133640308.db2.gz CMSIJXRPLJSPEG-KRWDZBQOSA-N 0 1 340.379 3.533 20 5 EHBDMN CC[C@@H](CN(CC)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000774708670 1133891695 /nfs/dbraw/zinc/89/16/95/1133891695.db2.gz YSUHSFPNLLRTKL-INIZCTEOSA-N 0 1 330.432 3.881 20 5 EHBDMN Cc1ccc(C[C@@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000774905544 1134114214 /nfs/dbraw/zinc/11/42/14/1134114214.db2.gz QMMPREZVCNWCGA-CQSZACIVSA-N 0 1 343.383 3.874 20 5 EHBDMN O=[N+]([O-])c1ccccc1CCN[C@H]1COCc2cccc(Cl)c21 ZINC000788795986 1134170420 /nfs/dbraw/zinc/17/04/20/1134170420.db2.gz CRXUHWJXIAOVQB-HNNXBMFYSA-N 0 1 332.787 3.652 20 5 EHBDMN CCN1[C@H](C)CN(c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C[C@@H]1C 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ZINC000811481759 1136091490 /nfs/dbraw/zinc/09/14/90/1136091490.db2.gz LYEBMGDYSZEUHS-UHFFFAOYSA-N 0 1 349.214 3.723 20 5 EHBDMN Cc1cc(S(=O)(=O)Nc2ccccc2C(C)C)ccc1[N+](=O)[O-] ZINC000217210281 1136506766 /nfs/dbraw/zinc/50/67/66/1136506766.db2.gz AXZSFENHAAPCSD-UHFFFAOYSA-N 0 1 334.397 3.827 20 5 EHBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@H](O)c1cccc3ccccc31)C2 ZINC000815075798 1136547958 /nfs/dbraw/zinc/54/79/58/1136547958.db2.gz MSVGHBZUFKEYRE-NRFANRHFSA-N 0 1 348.402 3.840 20 5 EHBDMN COC(=O)CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173398693 1136999544 /nfs/dbraw/zinc/99/95/44/1136999544.db2.gz ASSXMSVBOZLZPS-KDOFPFPSSA-N 0 1 342.395 3.940 20 5 EHBDMN CCC(=O)c1ccc(O)c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000794622390 1137221313 /nfs/dbraw/zinc/22/13/13/1137221313.db2.gz HOWLIAOGYZQNLI-BJMVGYQFSA-N 0 1 340.335 3.545 20 5 EHBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccn(C2CCCC2)n1 ZINC000866308199 1137344360 /nfs/dbraw/zinc/34/43/60/1137344360.db2.gz 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C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@](C)(O)c1ccccc1 ZINC000872082843 1137570389 /nfs/dbraw/zinc/57/03/89/1137570389.db2.gz BZMZTVNTPDFLRM-VEVIJQCQSA-N 0 1 332.375 3.681 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](OC4CCC4)CC3)nc2c1 ZINC000872281816 1137577915 /nfs/dbraw/zinc/57/79/15/1137577915.db2.gz WDVQLDAXZZJEJA-OAHLLOKOSA-N 0 1 345.399 3.660 20 5 EHBDMN COC1(C(F)(F)F)CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877592800 1137682398 /nfs/dbraw/zinc/68/23/98/1137682398.db2.gz KBJMXJVQCNMTSN-UHFFFAOYSA-N 0 1 346.349 3.755 20 5 EHBDMN C[C@@H]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000877934089 1137696232 /nfs/dbraw/zinc/69/62/32/1137696232.db2.gz AZMPNMFXNQVFGS-SNVBAGLBSA-N 0 1 336.779 3.530 20 5 EHBDMN CC1(C2CC2)CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878629663 1137723048 /nfs/dbraw/zinc/72/30/48/1137723048.db2.gz HSESJJMSDKVZEX-UHFFFAOYSA-N 0 1 342.399 3.657 20 5 EHBDMN CCC(CC)[C@H](O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113341551 1137912721 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1 335.454 3.702 20 5 EHBDMN CCc1ccc([C@H](COC)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449152785 1032256503 /nfs/dbraw/zinc/25/65/03/1032256503.db2.gz HFUYDTHQZZSBAY-BBRMVZONSA-N 0 1 332.400 3.659 20 5 EHBDMN CC[C@@H](COCC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000449382944 1032508927 /nfs/dbraw/zinc/50/89/27/1032508927.db2.gz ZDXYJVSOKZAZSY-JTQLQIEISA-N 0 1 340.729 3.695 20 5 EHBDMN O=C(C[C@@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])c1cccs1 ZINC000091889664 1032737611 /nfs/dbraw/zinc/73/76/11/1032737611.db2.gz HJCHQIVNNUOIQS-ZDUSSCGKSA-N 0 1 346.408 3.599 20 5 EHBDMN CC(C)c1nnc(CNCCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000893092611 1018447965 /nfs/dbraw/zinc/44/79/65/1018447965.db2.gz OWDGLMAOKYNUSB-UHFFFAOYSA-N 0 1 334.445 3.682 20 5 EHBDMN CCN(CC)Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000592416818 1032784280 /nfs/dbraw/zinc/78/42/80/1032784280.db2.gz AXBJGEUCLIVLBX-UHFFFAOYSA-N 0 1 331.372 3.590 20 5 EHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC001167425279 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ZINC000833499740 605829950 /nfs/dbraw/zinc/82/99/50/605829950.db2.gz YMZRAPSTLYPUEV-UHFFFAOYSA-N 0 1 346.358 3.843 20 5 EHBDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc(F)cc1[N+](=O)[O-] ZINC001595362560 980772045 /nfs/dbraw/zinc/77/20/45/980772045.db2.gz JVRGAKHJHZHAPI-INIZCTEOSA-N 0 1 346.358 3.772 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000430215916 1015044521 /nfs/dbraw/zinc/04/45/21/1015044521.db2.gz DHZSZBAXZHFAAR-KRWDZBQOSA-N 0 1 334.416 3.527 20 5 EHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000126978635 1015149721 /nfs/dbraw/zinc/14/97/21/1015149721.db2.gz AUBWIOVPOSKLJU-UHFFFAOYSA-N 0 1 340.379 3.531 20 5 EHBDMN CC(C)[N@H+](Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591603830 992838519 /nfs/dbraw/zinc/83/85/19/992838519.db2.gz UPOVXHXMMVVISC-UHFFFAOYSA-N 0 1 346.358 3.843 20 5 EHBDMN CC(C)[N@@H+](Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591603830 992838522 /nfs/dbraw/zinc/83/85/22/992838522.db2.gz UPOVXHXMMVVISC-UHFFFAOYSA-N 0 1 346.358 3.843 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@@H]43)n2)s1 ZINC000904689495 1032184029 /nfs/dbraw/zinc/18/40/29/1032184029.db2.gz KGNKJMSUAAVPIG-GBIKHYSHSA-N 0 1 334.401 3.547 20 5 EHBDMN COc1cc2c(c(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000449348286 1032464619 /nfs/dbraw/zinc/46/46/19/1032464619.db2.gz LIHFUPDOFJVSDE-OLZOCXBDSA-N 0 1 342.395 3.778 20 5 EHBDMN CCn1nc(C)c(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000579934968 1017321620 /nfs/dbraw/zinc/32/16/20/1017321620.db2.gz MKYQYPUAHVDZAE-LJQANCHMSA-N 0 1 342.443 3.985 20 5 EHBDMN CC(C)[C@@H](CO)N(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000118846844 1017965978 /nfs/dbraw/zinc/96/59/78/1017965978.db2.gz SAFLQSGDAWYJIE-MRXNPFEDSA-N 0 1 334.441 3.675 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H](CCO)c1ccccc1F)CCC2 ZINC000592403942 1032799449 /nfs/dbraw/zinc/79/94/49/1032799449.db2.gz ROCHLRDRTBCCEY-RTBURBONSA-N 0 1 344.386 3.825 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C(C)C)CC1 ZINC001167425621 1019768587 /nfs/dbraw/zinc/76/85/87/1019768587.db2.gz RVBQUUDJKAERGT-HNNXBMFYSA-N 0 1 333.432 3.600 20 5 EHBDMN CCc1nc2c(s1)[C@@H](N(C)Cc1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000093767835 1032902372 /nfs/dbraw/zinc/90/23/72/1032902372.db2.gz QPSQMLUUOWXPAP-HNNXBMFYSA-N 0 1 347.440 3.829 20 5 EHBDMN COc1ccc(CN[C@H](C)c2cnn(C(C)C)c2C)cc1[N+](=O)[O-] ZINC000276089594 1020599811 /nfs/dbraw/zinc/59/98/11/1020599811.db2.gz ANODQHUQYFZNNJ-GFCCVEGCSA-N 0 1 332.404 3.540 20 5 EHBDMN Cc1csc(C[C@H]2CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)n1 ZINC000933127123 1020631616 /nfs/dbraw/zinc/63/16/16/1020631616.db2.gz WDUPGOLZQIRAGZ-GFCCVEGCSA-N 0 1 335.404 3.563 20 5 EHBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000581417142 1020856651 /nfs/dbraw/zinc/85/66/51/1020856651.db2.gz DFZBFGOPYYZOAU-ZDUSSCGKSA-N 0 1 330.384 3.892 20 5 EHBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1cccc(OC)c1 ZINC000581417142 1020856658 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EHBDMN C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000550000929 1022534385 /nfs/dbraw/zinc/53/43/85/1022534385.db2.gz YLJQNHWWQDHEAY-SFHVURJKSA-N 0 1 330.359 3.603 20 5 EHBDMN Cc1ccccc1[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000441440473 1022802846 /nfs/dbraw/zinc/80/28/46/1022802846.db2.gz QFFDFVFOIBGWQN-OXJNMPFZSA-N 0 1 340.423 3.908 20 5 EHBDMN Cc1ccccc1[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000441440473 1022802852 /nfs/dbraw/zinc/80/28/52/1022802852.db2.gz QFFDFVFOIBGWQN-OXJNMPFZSA-N 0 1 340.423 3.908 20 5 EHBDMN Cc1nn(CN2CCCC[C@@H]2Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000729471722 1023118891 /nfs/dbraw/zinc/11/88/91/1023118891.db2.gz GCOSQKRKWUVCIQ-QGZVFWFLSA-N 0 1 346.406 3.602 20 5 EHBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000506480211 1023257302 /nfs/dbraw/zinc/25/73/02/1023257302.db2.gz KYZJAPFCCHLDNX-NSHDSACASA-N 0 1 340.788 3.896 20 5 EHBDMN CCOc1cc(CSc2nc(C(C)(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000276881060 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3.742 20 5 EHBDMN CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000441641877 1024278799 /nfs/dbraw/zinc/27/87/99/1024278799.db2.gz FJEVRPNSCBBTTO-INIZCTEOSA-N 0 1 333.432 3.742 20 5 EHBDMN CCC(C)(C)[C@@H]1CCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000441641877 1024278814 /nfs/dbraw/zinc/27/88/14/1024278814.db2.gz FJEVRPNSCBBTTO-INIZCTEOSA-N 0 1 333.432 3.742 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN1C[C@H]2CCCCN2c2ccccc21 ZINC000550433487 1024476571 /nfs/dbraw/zinc/47/65/71/1024476571.db2.gz LJCYIXCFXAOIFX-OAHLLOKOSA-N 0 1 339.395 3.680 20 5 EHBDMN CC[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000342291902 1024749885 /nfs/dbraw/zinc/74/98/85/1024749885.db2.gz JGTRVXZCUXFPLL-MRXNPFEDSA-N 0 1 347.802 3.928 20 5 EHBDMN COc1cc(CN[C@@H]2CCCc3ccc(C)cc32)c([N+](=O)[O-])cc1O ZINC000342292450 1024750667 /nfs/dbraw/zinc/75/06/67/1024750667.db2.gz OFKWFOOLIILQQV-MRXNPFEDSA-N 0 1 342.395 3.785 20 5 EHBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000427926511 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/nfs/dbraw/zinc/01/68/33/1029016833.db2.gz GQEHSUYZIGTGLE-QXMHVHEDSA-N 0 1 328.372 3.656 20 5 EHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H]1C(=O)[O-] ZINC000424424152 1029048859 /nfs/dbraw/zinc/04/88/59/1029048859.db2.gz WCHALSZLRZMAKL-PXAZEXFGSA-N 0 1 344.367 3.540 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)N2CCCC3(CCCC3)C2)cccc1[N+](=O)[O-] ZINC000445850967 1029186093 /nfs/dbraw/zinc/18/60/93/1029186093.db2.gz XQDMPDSNEJVYQN-OAHLLOKOSA-N 0 1 345.443 3.886 20 5 EHBDMN COc1ccc2c(c1)[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000324436002 1029831006 /nfs/dbraw/zinc/83/10/06/1029831006.db2.gz DEFTVDHTTPWSHJ-SJKOYZFVSA-N 0 1 328.368 3.778 20 5 EHBDMN CCc1ccc([C@H](NCC[C@@H](C)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453238810 1029967776 /nfs/dbraw/zinc/96/77/76/1029967776.db2.gz SWDPPRQJDSXFRK-AUUYWEPGSA-N 0 1 346.427 3.838 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN1CCC2(CC1)OCCc1ccccc12 ZINC000453579770 1030371371 /nfs/dbraw/zinc/37/13/71/1030371371.db2.gz WDYUUVMNINZRJB-UHFFFAOYSA-N 0 1 338.407 3.659 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000160060522 1030518304 /nfs/dbraw/zinc/51/83/04/1030518304.db2.gz JXYVOZZMCNELMU-CQSZACIVSA-N 0 1 329.400 3.936 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000447937665 1030612316 /nfs/dbraw/zinc/61/23/16/1030612316.db2.gz BOTZOZFLDKFIOY-OAHLLOKOSA-N 0 1 336.395 3.940 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(c2nc(C)no2)CC1 ZINC000347363436 1030707961 /nfs/dbraw/zinc/70/79/61/1030707961.db2.gz QIXYCXMYPAVAHQ-JLHYYAGUSA-N 0 1 342.399 3.569 20 5 EHBDMN COc1ccc(OCCN2CCc3ccccc3[C@@H]2C)c([N+](=O)[O-])c1 ZINC000482846941 1030749140 /nfs/dbraw/zinc/74/91/40/1030749140.db2.gz VIUMTGNZROYDAR-AWEZNQCLSA-N 0 1 342.395 3.602 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(C)C)c1 ZINC000537653526 1030846956 /nfs/dbraw/zinc/84/69/56/1030846956.db2.gz ZLVZVRWTFLGEOH-UHFFFAOYSA-N 0 1 334.397 3.827 20 5 EHBDMN CCCCCNC(=O)C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052722185 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20 5 EHBDMN O=[N+]([O-])c1cccc([C@H](NCCO[C@@H]2CC2(F)F)c2ccccc2)c1 ZINC000595067689 1033644951 /nfs/dbraw/zinc/64/49/51/1033644951.db2.gz GHOLBDHDTJUNRH-IAGOWNOFSA-N 0 1 348.349 3.698 20 5 EHBDMN COC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000595071400 1033646419 /nfs/dbraw/zinc/64/64/19/1033646419.db2.gz YNMBCONHSCLJDT-KSSFIOAISA-N 0 1 344.411 3.950 20 5 EHBDMN Cn1ncc(C2CC2)c1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000595075431 1033694835 /nfs/dbraw/zinc/69/48/35/1033694835.db2.gz BOAUMGBPHAHDBY-SFHVURJKSA-N 0 1 340.427 3.763 20 5 EHBDMN CCC1(CC)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000450143132 1033807447 /nfs/dbraw/zinc/80/74/47/1033807447.db2.gz MRLBUJNOCBRBDL-UHFFFAOYSA-N 0 1 342.399 3.637 20 5 EHBDMN CC(C)CC1(N[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000595832521 1034016973 /nfs/dbraw/zinc/01/69/73/1034016973.db2.gz WPDADNVJGGCPDT-LBPRGKRZSA-N 0 1 330.388 3.874 20 5 EHBDMN CO[C@H](C)c1nc(CSCc2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000593189715 1034298045 /nfs/dbraw/zinc/29/80/45/1034298045.db2.gz ZIAWXPDBQHETDL-SECBINFHSA-N 0 1 340.426 3.898 20 5 EHBDMN CCOc1ccc([C@H](C)NCc2c(C)nn(CC)c2C)cc1[N+](=O)[O-] ZINC000534328676 1034404000 /nfs/dbraw/zinc/40/40/00/1034404000.db2.gz FITAHGZMOIPMLJ-LBPRGKRZSA-N 0 1 346.431 3.678 20 5 EHBDMN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1=CCSC1 ZINC000597245678 1034637946 /nfs/dbraw/zinc/63/79/46/1034637946.db2.gz MXWVIXHKMPDKIL-UHFFFAOYSA-N 0 1 330.409 3.960 20 5 EHBDMN CCc1ccc([C@H](NCC[C@@H](C)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612408347 1034890856 /nfs/dbraw/zinc/89/08/56/1034890856.db2.gz WXOBGLJJXKKGCJ-FZKQIMNGSA-N 0 1 332.400 3.854 20 5 EHBDMN O=[N+]([O-])c1ccc(CCCCNCc2c(F)ccc(O)c2F)cc1 ZINC000511424488 1035399200 /nfs/dbraw/zinc/39/92/00/1035399200.db2.gz FQVPNOXKPYPGCC-UHFFFAOYSA-N 0 1 336.338 3.691 20 5 EHBDMN O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2c(F)ccc([O-])c2F)cc1 ZINC000511424488 1035399204 /nfs/dbraw/zinc/39/92/04/1035399204.db2.gz FQVPNOXKPYPGCC-UHFFFAOYSA-N 0 1 336.338 3.691 20 5 EHBDMN Cc1ccccc1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000026197604 1035502589 /nfs/dbraw/zinc/50/25/89/1035502589.db2.gz NWHRDPYCMLXDLU-HNNXBMFYSA-N 0 1 341.411 3.671 20 5 EHBDMN CCOc1cc(CN(C)Cc2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000492466608 1035825482 /nfs/dbraw/zinc/82/54/82/1035825482.db2.gz ZEEMUEWDNWLZLV-UHFFFAOYSA-N 0 1 330.384 3.634 20 5 EHBDMN COc1cc(C)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000171127998 1035981218 /nfs/dbraw/zinc/98/12/18/1035981218.db2.gz MGCLZNCPVKUBRM-CYBMUJFWSA-N 0 1 330.384 3.771 20 5 EHBDMN CCc1ccc([C@H](NC[C@H](C)COC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547138 1036427357 /nfs/dbraw/zinc/42/73/57/1036427357.db2.gz AKOHSWOOTBSXPU-SCLBCKFNSA-N 0 1 332.400 3.712 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000589519796 1036487590 /nfs/dbraw/zinc/48/75/90/1036487590.db2.gz ANUWUELLRUGZPY-BNXPMYBGSA-N 0 1 346.818 3.795 20 5 EHBDMN Cc1cc(C[C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)n[nH]1 ZINC000178190607 1037007828 /nfs/dbraw/zinc/00/78/28/1037007828.db2.gz AKLVHEFLVMIQPL-CYBMUJFWSA-N 0 1 344.418 3.781 20 5 EHBDMN Cc1nn(CN2C[C@H](c3ccccc3C)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000151537096 1037022537 /nfs/dbraw/zinc/02/25/37/1037022537.db2.gz IDKLLCCPWLDPFB-XJKSGUPXSA-N 0 1 328.416 3.552 20 5 EHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2=O)cc1 ZINC000171128709 1037463472 /nfs/dbraw/zinc/46/34/72/1037463472.db2.gz AQSMIJNEXIONQE-AWEZNQCLSA-N 0 1 339.395 3.572 20 5 EHBDMN CC(C)c1ccc(CNCc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000462876734 1037506154 /nfs/dbraw/zinc/50/61/54/1037506154.db2.gz PDKFKJIXFQHGJJ-UHFFFAOYSA-N 0 1 342.443 3.620 20 5 EHBDMN CC[C@H](C)[C@@H]1CCCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000532587418 1037707241 /nfs/dbraw/zinc/70/72/41/1037707241.db2.gz ZHWWHSHKFOILSK-ZFWWWQNUSA-N 0 1 333.432 3.742 20 5 EHBDMN Cc1cccc(C2(NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CCC2)c1 ZINC000592146439 1037869457 /nfs/dbraw/zinc/86/94/57/1037869457.db2.gz QAFPJOVBXZZRKN-UHFFFAOYSA-N 0 1 336.395 3.949 20 5 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C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000332195440 1137935224 /nfs/dbraw/zinc/93/52/24/1137935224.db2.gz YXKBCJDDGSZQTA-ZDUSSCGKSA-N 0 1 334.416 3.862 20 5 EHBDMN COc1ccc([C@@H](CCO)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120272304 1137948067 /nfs/dbraw/zinc/94/80/67/1137948067.db2.gz ZMBRXYGVOYHCBP-KBXCAEBGSA-N 0 1 344.411 3.686 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1c2cn[nH]c2CC[C@H]1C ZINC000885260391 1137994062 /nfs/dbraw/zinc/99/40/62/1137994062.db2.gz QFRBVMSWLXLMFU-PEBVRCNWSA-N 0 1 343.383 3.597 20 5 EHBDMN CN(Cc1cccnc1[N+](=O)[O-])C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000885973468 1138029483 /nfs/dbraw/zinc/02/94/83/1138029483.db2.gz SXRSJVMZDUQPHW-SJLPKXTDSA-N 0 1 341.411 3.590 20 5 EHBDMN CCN(Cc1ccc(Cl)s1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136891885 1138044095 /nfs/dbraw/zinc/04/40/95/1138044095.db2.gz LSQYWOWBFJVGMB-CQSZACIVSA-N 0 1 340.832 3.865 20 5 EHBDMN CCc1nn(C)c(CC)c1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090846002 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IYPCUJFIDMAOEI-RYUDHWBXSA-N 0 1 349.456 3.960 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(c2nccs2)CC1 ZINC000182693073 1139986766 /nfs/dbraw/zinc/98/67/66/1139986766.db2.gz DLINWJOSWTVKKN-AWEZNQCLSA-N 0 1 346.456 3.633 20 5 EHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192972125 1140557069 /nfs/dbraw/zinc/55/70/69/1140557069.db2.gz SLTVPAZFZXURIX-QGZVFWFLSA-N 0 1 327.340 3.670 20 5 EHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000271451665 1141370789 /nfs/dbraw/zinc/37/07/89/1141370789.db2.gz GHGBXGWLYWWOCV-NEPJUHHUSA-N 0 1 347.419 3.647 20 5 EHBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000263375590 962532292 /nfs/dbraw/zinc/53/22/92/962532292.db2.gz AKCITWLMPHPINV-LBPRGKRZSA-N 0 1 346.408 3.620 20 5 EHBDMN O=C([O-])[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263381993 962540092 /nfs/dbraw/zinc/54/00/92/962540092.db2.gz BVKFZGHDNSMWML-ZDUSSCGKSA-N 0 1 346.408 3.620 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000593737720 974985097 /nfs/dbraw/zinc/98/50/97/974985097.db2.gz RVZYDNOKYHMVSY-GOSISDBHSA-N 0 1 330.384 3.615 20 5 EHBDMN CC(C)C[C@@H](N)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000339389571 1014324129 /nfs/dbraw/zinc/32/41/29/1014324129.db2.gz HAPKDJFQSOAJIH-LLVKDONJSA-N 0 1 332.385 3.905 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000901523868 980345099 /nfs/dbraw/zinc/34/50/99/980345099.db2.gz ZPIVJYFVOHWPGP-HFQYIWAZSA-N 0 1 346.427 3.821 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCCOc1ccccc1 ZINC000430193494 1014758238 /nfs/dbraw/zinc/75/82/38/1014758238.db2.gz GJKHORGFDUMNFI-UHFFFAOYSA-N 0 1 330.384 3.504 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000430204539 1014895358 /nfs/dbraw/zinc/89/53/58/1014895358.db2.gz ROEGBBYGOODGJC-KRWDZBQOSA-N 0 1 341.411 3.680 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(=O)c2ccccc2)CC1 ZINC000183248753 1125487257 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347.459 3.639 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)NCCC2CCCCC2)cc1[N+](=O)[O-] ZINC000537176987 1032548535 /nfs/dbraw/zinc/54/85/35/1032548535.db2.gz INDSVDABLPQOJA-HNNXBMFYSA-N 0 1 347.459 3.640 20 5 EHBDMN CC[C@@H]1CCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449432965 1032549532 /nfs/dbraw/zinc/54/95/32/1032549532.db2.gz KEGVHMDELQWCKD-UWWQBHOKSA-N 0 1 342.443 3.834 20 5 EHBDMN CCOc1cccc([C@H](C)NCc2ccc(O)c(OC)c2[N+](=O)[O-])c1 ZINC000892757369 1017336499 /nfs/dbraw/zinc/33/64/99/1017336499.db2.gz HNCMGAKZMCRMAX-LBPRGKRZSA-N 0 1 346.383 3.559 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415029630 1017426770 /nfs/dbraw/zinc/42/67/70/1017426770.db2.gz DZORXKQEHMJVGO-QGZVFWFLSA-N 0 1 341.411 3.877 20 5 EHBDMN O=C(c1cc(Cl)ccc1O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001167392859 1019276721 /nfs/dbraw/zinc/27/67/21/1019276721.db2.gz IZVUSUNIDHTVMD-UHFFFAOYSA-N 0 1 346.770 3.937 20 5 EHBDMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CCO2 ZINC000274341530 1019336789 /nfs/dbraw/zinc/33/67/89/1019336789.db2.gz DEFTVDHTTPWSHJ-PXAZEXFGSA-N 0 1 328.368 3.778 20 5 EHBDMN Cc1nc2c(o1)CCC[C@@H]2NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000926113192 1019652303 /nfs/dbraw/zinc/65/23/03/1019652303.db2.gz NABLIGBAJMOMIQ-ZDUSSCGKSA-N 0 1 335.791 3.754 20 5 EHBDMN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602488555 1032918571 /nfs/dbraw/zinc/91/85/71/1032918571.db2.gz ZHKFHFQPDXPOKO-NWDGAFQWSA-N 0 1 336.823 3.606 20 5 EHBDMN CC[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CCCC1 ZINC000581315204 1020676884 /nfs/dbraw/zinc/67/68/84/1020676884.db2.gz VQPBSINOEVVULO-HIFRSBDPSA-N 0 1 345.365 3.662 20 5 EHBDMN O=C([O-])c1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000581432051 1020914313 /nfs/dbraw/zinc/91/43/13/1020914313.db2.gz HNQJWWZBBJKBSV-OAHLLOKOSA-N 0 1 347.415 3.502 20 5 EHBDMN CC[C@](C)(O)CN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000439255050 1021301179 /nfs/dbraw/zinc/30/11/79/1021301179.db2.gz FSBDQVXNNDQMTN-IBGZPJMESA-N 0 1 328.412 3.758 20 5 EHBDMN COC(=O)c1csc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000602564891 1032974773 /nfs/dbraw/zinc/97/47/73/1032974773.db2.gz WGNNJCRMXVVBJB-LLVKDONJSA-N 0 1 334.397 3.602 20 5 EHBDMN CC(C)SCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602653457 1033037873 /nfs/dbraw/zinc/03/78/73/1033037873.db2.gz IBDDNMOWCNHCPY-UHFFFAOYSA-N 0 1 339.280 3.650 20 5 EHBDMN CC(C)(N[C@@H](c1nnc[nH]1)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000602671826 1033052615 /nfs/dbraw/zinc/05/26/15/1033052615.db2.gz KCHIDLHDBBHJER-MRXNPFEDSA-N 0 1 343.431 3.859 20 5 EHBDMN CO[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1(C)C ZINC000602683536 1033083181 /nfs/dbraw/zinc/08/31/81/1033083181.db2.gz CUHSZNJHPLOGEY-CQSZACIVSA-N 0 1 346.349 3.861 20 5 EHBDMN Cc1c([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000366701814 1023138666 /nfs/dbraw/zinc/13/86/66/1023138666.db2.gz ZLTCBUYUWHETKZ-RDTXWAMCSA-N 0 1 325.412 3.741 20 5 EHBDMN CCOc1cc(C[N@@H+](C)[C@H](CC)c2ccncc2)ccc1[N+](=O)[O-] ZINC000276919131 1023364443 /nfs/dbraw/zinc/36/44/43/1023364443.db2.gz OTSMUFOWEABRRF-MRXNPFEDSA-N 0 1 329.400 3.972 20 5 EHBDMN CCOc1cc(CN(C)[C@H](CC)c2ccncc2)ccc1[N+](=O)[O-] ZINC000276919131 1023364455 /nfs/dbraw/zinc/36/44/55/1023364455.db2.gz OTSMUFOWEABRRF-MRXNPFEDSA-N 0 1 329.400 3.972 20 5 EHBDMN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c(C(C)=O)c1)c1ccco1 ZINC000341933146 1023706387 /nfs/dbraw/zinc/70/63/87/1023706387.db2.gz VGBCOAJYPGEJIX-QGZVFWFLSA-N 0 1 345.399 3.885 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(CC2CCCCC2)C2CC2)c1[N+](=O)[O-] ZINC000610920450 1023877958 /nfs/dbraw/zinc/87/79/58/1023877958.db2.gz RICMYVNKQKGGMI-UHFFFAOYSA-N 0 1 334.420 3.626 20 5 EHBDMN CC(C)C[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602807567 1033181070 /nfs/dbraw/zinc/18/10/70/1033181070.db2.gz WGDXCDRJBXAFFV-OAHLLOKOSA-N 0 1 336.823 3.859 20 5 EHBDMN CC[C@H](NCC(=O)N(C)[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342278778 1024700594 /nfs/dbraw/zinc/70/05/94/1024700594.db2.gz FTLXXHFCXIBESF-WBAXXEDZSA-N 0 1 347.459 3.673 20 5 EHBDMN Cc1ccc(CNCc2cnc(CC(F)(F)F)s2)cc1[N+](=O)[O-] ZINC000895834589 1024900393 /nfs/dbraw/zinc/90/03/93/1024900393.db2.gz UOKJWCGSBDTMPY-UHFFFAOYSA-N 0 1 345.346 3.754 20 5 EHBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263361545 1025137652 /nfs/dbraw/zinc/13/76/52/1025137652.db2.gz SBGVHGKIFXIBSN-QWHCGFSZSA-N 0 1 344.367 3.540 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(Nc2ccccn2)CC1 ZINC000896197723 1025229026 /nfs/dbraw/zinc/22/90/26/1025229026.db2.gz FIMSYUXVVQXXIV-ALCCZGGFSA-N 0 1 338.411 3.580 20 5 EHBDMN C[C@@H](N[C@H]1CCCN(C2CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000443079942 1025709882 /nfs/dbraw/zinc/70/98/82/1025709882.db2.gz POGBIIRXJQUZNM-KDOFPFPSSA-N 0 1 345.443 3.569 20 5 EHBDMN CO[C@@]1(C)C[C@@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451490103 1026033907 /nfs/dbraw/zinc/03/39/07/1026033907.db2.gz OLPHBNZNNAQIGH-QAPCUYQASA-N 0 1 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343.427 3.744 20 5 EHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1C1CCCCC1 ZINC000604250691 1129927174 /nfs/dbraw/zinc/92/71/74/1129927174.db2.gz QDYOAMPGICKPCK-INIZCTEOSA-N 0 1 342.399 3.656 20 5 EHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC001307590582 1130099955 /nfs/dbraw/zinc/09/99/55/1130099955.db2.gz WDZVJQAAZWTGDU-WDEREUQCSA-N 0 1 327.222 3.835 20 5 EHBDMN O=[N+]([O-])c1ccc(CCSc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000042113828 1130372745 /nfs/dbraw/zinc/37/27/45/1130372745.db2.gz PJEBXFUUXQWGCL-UHFFFAOYSA-N 0 1 344.371 3.854 20 5 EHBDMN C[C@@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000246801333 1130413509 /nfs/dbraw/zinc/41/35/09/1130413509.db2.gz ABTVUTXBCLRPPT-WDVBMNPBSA-N 0 1 332.425 3.744 20 5 EHBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H](C)c1nc2ccccc2s1 ZINC000749218082 1131707680 /nfs/dbraw/zinc/70/76/80/1131707680.db2.gz IEQSENBYQLPFAY-VHSXEESVSA-N 0 1 345.380 3.882 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1Cc3cnc(Cl)cc3C1)CC2 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BWIMPOOZDZEYGO-KRWDZBQOSA-N 0 1 334.420 3.626 20 5 EHBDMN CCC1(CC)CN(Cn2ncc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000767480647 1133009213 /nfs/dbraw/zinc/00/92/13/1133009213.db2.gz UYOGWNYVTRLFMR-UHFFFAOYSA-N 0 1 334.445 3.510 20 5 EHBDMN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000769390634 1133275170 /nfs/dbraw/zinc/27/51/70/1133275170.db2.gz ZTOAQMAVRHTQHQ-TYILLQQXSA-N 0 1 342.395 3.651 20 5 EHBDMN CC[C@H]1CN(CC)CCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001186440829 1134213212 /nfs/dbraw/zinc/21/32/12/1134213212.db2.gz GKBXHFFZYMOGNK-LBPRGKRZSA-N 0 1 331.338 3.534 20 5 EHBDMN Cc1cc(N2CCN[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])s1 ZINC001187931639 1134401796 /nfs/dbraw/zinc/40/17/96/1134401796.db2.gz LHBNOVHRESVZSJ-CYBMUJFWSA-N 0 1 337.832 3.769 20 5 EHBDMN CC[C@@](C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000792876148 1134809878 /nfs/dbraw/zinc/80/98/78/1134809878.db2.gz LTNFZUREULUJHB-QGZVFWFLSA-N 0 1 329.356 3.918 20 5 EHBDMN CCc1ccc([C@H]2C[C@@H](C)CCN2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC001191258265 1134826978 /nfs/dbraw/zinc/82/69/78/1134826978.db2.gz LSCZMNCPGUKWSX-XJKSGUPXSA-N 0 1 346.431 3.728 20 5 EHBDMN Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC001194615576 1135299328 /nfs/dbraw/zinc/29/93/28/1135299328.db2.gz HSMJJXOOUIFJJP-HNNXBMFYSA-N 0 1 341.411 3.671 20 5 EHBDMN Cc1cccc(CN(C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC001194615576 1135299335 /nfs/dbraw/zinc/29/93/35/1135299335.db2.gz HSMJJXOOUIFJJP-HNNXBMFYSA-N 0 1 341.411 3.671 20 5 EHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](c1ccccc1)N(C)C ZINC000807916421 1135589112 /nfs/dbraw/zinc/58/91/12/1135589112.db2.gz SXGLPDJVBLOVAC-SFHVURJKSA-N 0 1 327.384 3.512 20 5 EHBDMN CCC1(CC)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001197514741 1135697349 /nfs/dbraw/zinc/69/73/49/1135697349.db2.gz RVSQUXKNMUJQAU-UHFFFAOYSA-N 0 1 339.823 3.841 20 5 EHBDMN CCC1(CC)CCCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC001197514741 1135697352 /nfs/dbraw/zinc/69/73/52/1135697352.db2.gz RVSQUXKNMUJQAU-UHFFFAOYSA-N 0 1 339.823 3.841 20 5 EHBDMN CCOC(=O)[C@H](C)[C@@H](C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809976456 1135908245 /nfs/dbraw/zinc/90/82/45/1135908245.db2.gz DTGYSXYXYBWTOF-RKDXNWHRSA-N 0 1 349.214 3.579 20 5 EHBDMN C[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1c(F)cccc1Cl ZINC000776604312 1136465889 /nfs/dbraw/zinc/46/58/89/1136465889.db2.gz BJXARYKNWFNZHX-BMIGLBTASA-N 0 1 338.766 3.772 20 5 EHBDMN C[C@H](OC(=O)[C@H]1CCCCN1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000815445440 1136596138 /nfs/dbraw/zinc/59/61/38/1136596138.db2.gz YSCJKCLJXBIIKR-KBXCAEBGSA-N 0 1 346.427 3.996 20 5 EHBDMN C[C@@H](N[C@@H]1CSCc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815571055 1136617501 /nfs/dbraw/zinc/61/75/01/1136617501.db2.gz SQWRCTJLNGTEQO-BDJLRTHQSA-N 0 1 329.425 3.816 20 5 EHBDMN Cc1c(NC(=O)c2c(O)cnc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC001135304847 1136655777 /nfs/dbraw/zinc/65/57/77/1136655777.db2.gz SZWJYVRCTLMJLA-UHFFFAOYSA-N 0 1 341.298 3.548 20 5 EHBDMN Cc1ccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000817017239 1136770957 /nfs/dbraw/zinc/77/09/57/1136770957.db2.gz GASUWXHBCYDRQX-UHFFFAOYSA-N 0 1 330.731 3.685 20 5 EHBDMN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])N[C@H](C)c1c(F)cncc1F ZINC000866356293 1137348787 /nfs/dbraw/zinc/34/87/87/1137348787.db2.gz CKFSMWCKXZILDQ-NXEZZACHSA-N 0 1 339.317 3.689 20 5 EHBDMN Cn1cc([C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2(C)C)cn1 ZINC000846929736 1137375894 /nfs/dbraw/zinc/37/58/94/1137375894.db2.gz YNANJUZRYFUKFU-HNNXBMFYSA-N 0 1 348.834 3.607 20 5 EHBDMN CC[NH+](CC)CCCC1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339080783 1137408574 /nfs/dbraw/zinc/40/85/74/1137408574.db2.gz DXTMJOGLCVFRKI-UHFFFAOYSA-N 0 1 349.475 3.634 20 5 EHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C2CCCCC2)C1 ZINC001171804857 1137513437 /nfs/dbraw/zinc/51/34/37/1137513437.db2.gz JMGFYLVOCLVSPE-GOEBONIOSA-N 0 1 345.443 3.824 20 5 EHBDMN C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019552 1137564896 /nfs/dbraw/zinc/56/48/96/1137564896.db2.gz WSBBIQQDKAHOTF-MEBBXXQBSA-N 0 1 338.766 3.772 20 5 EHBDMN C[C@H](C[C@@H](O)c1cccs1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042353 1137567279 /nfs/dbraw/zinc/56/72/79/1137567279.db2.gz BUBHINSOYIXJBU-JTNHKYCSSA-N 0 1 338.404 3.958 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872275582 1137577181 /nfs/dbraw/zinc/57/71/81/1137577181.db2.gz HTXCNZVTDKQIDF-QGZVFWFLSA-N 0 1 334.416 3.527 20 5 EHBDMN C[C@H](CN(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000880075641 1137767474 /nfs/dbraw/zinc/76/74/74/1137767474.db2.gz DSIIPYNTHOUHII-GFCCVEGCSA-N 0 1 332.404 3.759 20 5 EHBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000880102847 1137768336 /nfs/dbraw/zinc/76/83/36/1137768336.db2.gz FVAVUVWCXAMFNZ-VIFPVBQESA-N 0 1 343.280 3.999 20 5 EHBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)c2c(F)cccc2F)C2CC2)cc1 ZINC000130709376 1137841199 /nfs/dbraw/zinc/84/11/99/1137841199.db2.gz FLZKMFJTCYMOJQ-KRWDZBQOSA-N 0 1 348.349 3.571 20 5 EHBDMN Cc1cccc([C@H](C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)c1C ZINC000115630547 1137922695 /nfs/dbraw/zinc/92/26/95/1137922695.db2.gz BNDOTOOUHMRKQY-AWEZNQCLSA-N 0 1 342.395 3.929 20 5 EHBDMN CCOC[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093838650 1138241656 /nfs/dbraw/zinc/24/16/56/1138241656.db2.gz LPGNCMNLBWFXSX-CYBMUJFWSA-N 0 1 347.440 3.577 20 5 EHBDMN CC(C)[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000337629268 1138626581 /nfs/dbraw/zinc/62/65/81/1138626581.db2.gz WZKNIFVDFREFRF-MRXNPFEDSA-N 0 1 332.331 3.567 20 5 EHBDMN CCCO[C@@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184212049 1140087456 /nfs/dbraw/zinc/08/74/56/1140087456.db2.gz ISEQKVCMBONILZ-CQSZACIVSA-N 0 1 340.395 3.524 20 5 EHBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccco1 ZINC000266141089 1140645861 /nfs/dbraw/zinc/64/58/61/1140645861.db2.gz HFQMTTPYLOZJTA-GFCCVEGCSA-N 0 1 341.314 3.504 20 5 EHBDMN Cc1ccccc1[C@@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269355846 1141097098 /nfs/dbraw/zinc/09/70/98/1141097098.db2.gz HUWRZNCKQOBTFB-GFCCVEGCSA-N 0 1 330.388 3.583 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC(c2ncccc2Cl)CC1 ZINC000339123476 1141503384 /nfs/dbraw/zinc/50/33/84/1141503384.db2.gz GCBWPYFXORPACY-UHFFFAOYSA-N 0 1 347.802 3.728 20 5 EHBDMN CC(C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263485445 604557034 /nfs/dbraw/zinc/55/70/34/604557034.db2.gz HERUWQXJZHVLRD-UHFFFAOYSA-N 0 1 334.397 3.618 20 5 EHBDMN O=C([O-])CCC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000563289173 604782166 /nfs/dbraw/zinc/78/21/66/604782166.db2.gz LVPAOIIGFOJWJE-UHFFFAOYSA-N 0 1 334.397 3.523 20 5 EHBDMN O=C([O-])CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000563289173 604782171 /nfs/dbraw/zinc/78/21/71/604782171.db2.gz LVPAOIIGFOJWJE-UHFFFAOYSA-N 0 1 334.397 3.523 20 5 EHBDMN CC(C)(NCc1cnc([C@@H]2CCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000339499343 1014595032 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EHBDMN C[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CCCO2 ZINC000852779277 1136485700 /nfs/dbraw/zinc/48/57/00/1136485700.db2.gz BHISHSLEVMGEEJ-LBPRGKRZSA-N 0 1 330.359 3.910 20 5 EHBDMN COc1ccc(C2(N[C@H](C)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000815605274 1136622506 /nfs/dbraw/zinc/62/25/06/1136622506.db2.gz PTMDUPZEGQPLJX-GFCCVEGCSA-N 0 1 327.384 3.526 20 5 EHBDMN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC001135504838 1136697709 /nfs/dbraw/zinc/69/77/09/1136697709.db2.gz SOYQODSGARDRRN-UHFFFAOYSA-N 0 1 342.742 3.891 20 5 EHBDMN COC(=O)CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173398715 1136999782 /nfs/dbraw/zinc/99/97/82/1136999782.db2.gz ASSXMSVBOZLZPS-RDTXWAMCSA-N 0 1 342.395 3.940 20 5 EHBDMN CN(C)C[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000282827202 1137021780 /nfs/dbraw/zinc/02/17/80/1137021780.db2.gz NTDGPCCRBWUGOI-AWEZNQCLSA-N 0 1 339.848 3.702 20 5 EHBDMN O=C(CC1CCC(F)(F)CC1)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000860331090 1137055858 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O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@]12CCC[C@H]1OCC2 ZINC000872315884 1137578464 /nfs/dbraw/zinc/57/84/64/1137578464.db2.gz AROXSUHGIJVNED-OCCSQVGLSA-N 0 1 331.199 3.703 20 5 EHBDMN Cc1c(CNCc2ccc(OC(C)(C)C)nc2)cccc1[N+](=O)[O-] ZINC000873103053 1137590252 /nfs/dbraw/zinc/59/02/52/1137590252.db2.gz SHBVBFUYBBSBKL-UHFFFAOYSA-N 0 1 329.400 3.765 20 5 EHBDMN CC(C)c1cc([C@@H]2CCC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000877783749 1137689469 /nfs/dbraw/zinc/68/94/69/1137689469.db2.gz FIGXBCWWBLEHQR-CYBMUJFWSA-N 0 1 344.415 3.527 20 5 EHBDMN CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000877783749 1137689470 /nfs/dbraw/zinc/68/94/70/1137689470.db2.gz FIGXBCWWBLEHQR-CYBMUJFWSA-N 0 1 344.415 3.527 20 5 EHBDMN CCC(CC)[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000878037398 1137700236 /nfs/dbraw/zinc/70/02/36/1137700236.db2.gz UIMRGSUBAONDNI-UHFFFAOYSA-N 0 1 330.388 3.798 20 5 EHBDMN CCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC1CC1 ZINC000878097775 1137702216 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C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCS1 ZINC000192184970 1140509635 /nfs/dbraw/zinc/50/96/35/1140509635.db2.gz HMXQZDDVVWSQDP-GFCCVEGCSA-N 0 1 333.413 3.577 20 5 EHBDMN CCN(CCc1nccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000269894103 1141155020 /nfs/dbraw/zinc/15/50/20/1141155020.db2.gz BXDBVXYTWLMVBE-UHFFFAOYSA-N 0 1 325.821 3.769 20 5 EHBDMN C[C@H](O)C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339137751 1141507293 /nfs/dbraw/zinc/50/72/93/1141507293.db2.gz GBVYMPDFSRTHBX-AAEUAGOBSA-N 0 1 346.349 3.739 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC(c2ccncc2)CC1 ZINC000348907182 1141607493 /nfs/dbraw/zinc/60/74/93/1141607493.db2.gz WIJRWZCBWQHIKX-UHFFFAOYSA-N 0 1 341.411 3.768 20 5 EHBDMN C[C@H](C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1)C(=O)[O-] ZINC000833516331 605751086 /nfs/dbraw/zinc/75/10/86/605751086.db2.gz IQYFNWBUVAOHPQ-GFCCVEGCSA-N 0 1 344.367 3.540 20 5 EHBDMN CC(C)C[C@H](N)c1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000339356990 1014275417 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CC[C@@H]1c2ccccc2CCN1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738240910 1132552149 /nfs/dbraw/zinc/55/21/49/1132552149.db2.gz DTURCMOOENIOMF-GOSISDBHSA-N 0 1 336.395 3.911 20 5 EHBDMN COc1ccc([C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C2CC2)c(C)c1 ZINC000766720934 1132768493 /nfs/dbraw/zinc/76/84/93/1132768493.db2.gz WYLDHUSXCYJRCY-INIZCTEOSA-N 0 1 330.340 3.548 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2nc(C)sc21 ZINC001178285812 1133153096 /nfs/dbraw/zinc/15/30/96/1133153096.db2.gz UAVDNWVGVFRJSA-CQSZACIVSA-N 0 1 347.440 3.926 20 5 EHBDMN C[C@H](O)CN(Cc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768555192 1133155378 /nfs/dbraw/zinc/15/53/78/1133155378.db2.gz OCMHGKBYLOKVAI-ZDUSSCGKSA-N 0 1 334.803 3.631 20 5 EHBDMN Cc1cc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c(C)o1 ZINC000769482817 1133288209 /nfs/dbraw/zinc/28/82/09/1133288209.db2.gz IYZFJJYQHOGMFO-UHFFFAOYSA-N 0 1 330.384 3.848 20 5 EHBDMN O=[N+]([O-])c1cc(CNC2(c3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000769934320 1133368885 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EHBDMN CCOc1cc(CN2CCC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000844439015 1137223011 /nfs/dbraw/zinc/22/30/11/1137223011.db2.gz HKAZSTVOMRKYCA-OAHLLOKOSA-N 0 1 326.343 3.615 20 5 EHBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])cc3C(F)F)CC2)[nH]n1 ZINC000865668300 1137303237 /nfs/dbraw/zinc/30/32/37/1137303237.db2.gz FFPILQGNNKIMHF-UHFFFAOYSA-N 0 1 336.342 3.948 20 5 EHBDMN CCC[C@@H](CCc1ccccc1)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001147814491 1137412962 /nfs/dbraw/zinc/41/29/62/1137412962.db2.gz HNVOPGYFJTWCEO-INIZCTEOSA-N 0 1 342.395 3.832 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000872029028 1137566183 /nfs/dbraw/zinc/56/61/83/1137566183.db2.gz VBRLAHITHNETHM-DPZKZMLUSA-N 0 1 344.436 3.626 20 5 EHBDMN C[C@H](C[C@@H](O)c1cccs1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042361 1137567249 /nfs/dbraw/zinc/56/72/49/1137567249.db2.gz BUBHINSOYIXJBU-UHIISALHSA-N 0 1 338.404 3.958 20 5 EHBDMN COCC[C@H](Cc1ccco1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060526 1137568945 /nfs/dbraw/zinc/56/89/45/1137568945.db2.gz QNSLLYCXFQRXLY-QWHCGFSZSA-N 0 1 336.363 3.625 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872275580 1137577191 /nfs/dbraw/zinc/57/71/91/1137577191.db2.gz HTXCNZVTDKQIDF-KRWDZBQOSA-N 0 1 334.416 3.527 20 5 EHBDMN CCCCCn1cc(CNCc2cccc([N+](=O)[O-])c2C)c(C)n1 ZINC000873098838 1137590197 /nfs/dbraw/zinc/59/01/97/1137590197.db2.gz BPDOVQURDDICPV-UHFFFAOYSA-N 0 1 330.432 3.888 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCOc2ccc(F)cc21 ZINC000873112501 1137590367 /nfs/dbraw/zinc/59/03/67/1137590367.db2.gz USYRADCJKPPWMK-INIZCTEOSA-N 0 1 330.359 3.964 20 5 EHBDMN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000873185504 1137593100 /nfs/dbraw/zinc/59/31/00/1137593100.db2.gz WVELAPWKDNXJKI-SNVBAGLBSA-N 0 1 325.290 3.859 20 5 EHBDMN O=[N+]([O-])c1ncccc1N1CCC[C@H](c2cc(-c3ccccc3)[nH]n2)C1 ZINC000882831207 1137835372 /nfs/dbraw/zinc/83/53/72/1137835372.db2.gz CGHJSVSYDLHXMM-HNNXBMFYSA-N 0 1 349.394 3.764 20 5 EHBDMN Cc1ccccc1[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331674452 1137916763 /nfs/dbraw/zinc/91/67/63/1137916763.db2.gz VCAOGRVZZAGGRH-CQSZACIVSA-N 0 1 342.399 3.727 20 5 EHBDMN Cc1ccccc1[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000331674450 1137916837 /nfs/dbraw/zinc/91/68/37/1137916837.db2.gz VCAOGRVZZAGGRH-AWEZNQCLSA-N 0 1 342.399 3.727 20 5 EHBDMN C[C@@H](C1CCCCC1)N(C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000332036568 1137929505 /nfs/dbraw/zinc/92/95/05/1137929505.db2.gz JQQBZXXOJCJBCK-NSHDSACASA-N 0 1 330.388 3.512 20 5 EHBDMN C[C@]1(Cc2cccs2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000885256546 1137993299 /nfs/dbraw/zinc/99/32/99/1137993299.db2.gz DYBKBQOYAVGATP-QGZVFWFLSA-N 0 1 346.408 3.599 20 5 EHBDMN CCN(CC)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000126819139 1138339530 /nfs/dbraw/zinc/33/95/30/1138339530.db2.gz UULBELXAWSEJFO-OAHLLOKOSA-N 0 1 342.443 3.995 20 5 EHBDMN Cc1c([C@@H](C)NCc2ccnc(N3CCCC3)c2)cccc1[N+](=O)[O-] ZINC000131434185 1138517704 /nfs/dbraw/zinc/51/77/04/1138517704.db2.gz URFWTKQVABHLPB-OAHLLOKOSA-N 0 1 340.427 3.749 20 5 EHBDMN CCC[C@H](NCc1ccc(OC)c(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000178410057 1139692409 /nfs/dbraw/zinc/69/24/09/1139692409.db2.gz LXVYBAVTXRGUAG-INIZCTEOSA-N 0 1 330.384 3.940 20 5 EHBDMN COC(=O)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000181814084 1139933699 /nfs/dbraw/zinc/93/36/99/1139933699.db2.gz ZDVJKFSSXJUOQA-GFCCVEGCSA-N 0 1 346.358 3.680 20 5 EHBDMN COc1cc(CN[C@@H]2CCCc3sccc32)c([N+](=O)[O-])cc1O ZINC000183789532 1140058405 /nfs/dbraw/zinc/05/84/05/1140058405.db2.gz JOSARYBZAFAQOA-GFCCVEGCSA-N 0 1 334.397 3.538 20 5 EHBDMN CO[C@H]1CCCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266141155 1140646056 /nfs/dbraw/zinc/64/60/56/1140646056.db2.gz HHIXPLFBBRKPCE-HOTGVXAUSA-N 0 1 347.440 3.766 20 5 EHBDMN C[C@H](Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000266584592 1140705227 /nfs/dbraw/zinc/70/52/27/1140705227.db2.gz MHOJQOFDKMIBPA-ZDUSSCGKSA-N 0 1 340.383 3.688 20 5 EHBDMN O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269105830 1141066442 /nfs/dbraw/zinc/06/64/42/1141066442.db2.gz BMCAIEQCHKCRCZ-UHFFFAOYSA-N 0 1 341.367 3.543 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000271548378 1141395046 /nfs/dbraw/zinc/39/50/46/1141395046.db2.gz LXOIEWHQHCRWNL-SJCJKPOMSA-N 0 1 334.803 3.941 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@@H](c1cc(F)ccc1F)C(F)F ZINC000339134418 1141506244 /nfs/dbraw/zinc/50/62/44/1141506244.db2.gz DDBBKICICAQTMT-AWEZNQCLSA-N 0 1 344.264 3.675 20 5 EHBDMN C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1C(=O)[O-] ZINC000833694067 604524133 /nfs/dbraw/zinc/52/41/33/604524133.db2.gz IFCAEUHFAKBVEE-UHFFFAOYSA-N 0 1 334.759 3.578 20 5 EHBDMN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1C(=O)[O-] ZINC000833694067 604524136 /nfs/dbraw/zinc/52/41/36/604524136.db2.gz IFCAEUHFAKBVEE-UHFFFAOYSA-N 0 1 334.759 3.578 20 5 EHBDMN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263535535 604673354 /nfs/dbraw/zinc/67/33/54/604673354.db2.gz ZALHYFHTNJNFMA-QGZVFWFLSA-N 0 1 346.408 3.620 20 5 EHBDMN CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000566295802 974604525 /nfs/dbraw/zinc/60/45/25/974604525.db2.gz UEXHFAOBMUKECE-CQSZACIVSA-N 0 1 349.431 3.668 20 5 EHBDMN Cc1oc(C[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000574047471 974776056 /nfs/dbraw/zinc/77/60/56/974776056.db2.gz YNXDTSGQXADBQO-LLVKDONJSA-N 0 1 332.356 3.696 20 5 EHBDMN Cc1oc(C[N@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000574047471 974776062 /nfs/dbraw/zinc/77/60/62/974776062.db2.gz YNXDTSGQXADBQO-LLVKDONJSA-N 0 1 332.356 3.696 20 5 EHBDMN CC(C)(NCc1cnc([C@H]2CCCO2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000339499344 1014595438 /nfs/dbraw/zinc/59/54/38/1014595438.db2.gz FMPBAWWAZLQRTJ-OAHLLOKOSA-N 0 1 347.440 3.928 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@]1(C)CCCc2ccccc21 ZINC000430207428 1014936342 /nfs/dbraw/zinc/93/63/42/1014936342.db2.gz ZPSKPMXVOYYQCR-LJQANCHMSA-N 0 1 326.396 3.945 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000430216300 1015040712 /nfs/dbraw/zinc/04/07/12/1015040712.db2.gz FCZXOWMJYURMRP-AWEZNQCLSA-N 0 1 330.359 3.732 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001589000875 984942856 /nfs/dbraw/zinc/94/28/56/984942856.db2.gz FKELYZNWNRCYHK-GXDHUFHOSA-N 0 1 340.379 3.828 20 5 EHBDMN O=C(c1cc2ccccc2c2cccnc12)N1CCN(CC2CC2)CC1 ZINC000340219657 1016720207 /nfs/dbraw/zinc/72/02/07/1016720207.db2.gz JRJOGKVUQCATPF-UHFFFAOYSA-N 0 1 345.446 3.556 20 5 EHBDMN C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1 ZINC000414497046 1016942672 /nfs/dbraw/zinc/94/26/72/1016942672.db2.gz JOGMNYVXJDLFPB-CMPLNLGQSA-N 0 1 335.454 3.702 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414526633 1016954240 /nfs/dbraw/zinc/95/42/40/1016954240.db2.gz LLHGRXDTXZQQQL-SFHVURJKSA-N 0 1 348.443 3.631 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3NCC[C@H]4CCCC[C@H]43)n2)s1 ZINC000904689496 1032182941 /nfs/dbraw/zinc/18/29/41/1032182941.db2.gz KGNKJMSUAAVPIG-GIPNMCIBSA-N 0 1 334.401 3.547 20 5 EHBDMN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCC(=O)N2)c1ccccc1[N+](=O)[O-] ZINC000538198639 1032213873 /nfs/dbraw/zinc/21/38/73/1032213873.db2.gz RNHZBLYSZYJBIB-QWHCGFSZSA-N 0 1 339.395 3.891 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(Nc2cnn(CC(C)C)c2C(F)F)n1 ZINC000340575470 1032446599 /nfs/dbraw/zinc/44/65/99/1032446599.db2.gz VINSWIOAOUPEKA-UHFFFAOYSA-N 0 1 325.319 3.832 20 5 EHBDMN CC[C@@](C)(CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000449470467 1032588826 /nfs/dbraw/zinc/58/88/26/1032588826.db2.gz AQWRMRMAQGOVKG-INIZCTEOSA-N 0 1 335.429 3.623 20 5 EHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1noc2c1CCCC2 ZINC000290245939 1017178426 /nfs/dbraw/zinc/17/84/26/1017178426.db2.gz VEQOGESLZHNJCB-CYBMUJFWSA-N 0 1 329.400 3.573 20 5 EHBDMN CC[C@H](N[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181541403 1017424543 /nfs/dbraw/zinc/42/45/43/1017424543.db2.gz ACOMFFROJININW-FSZRXZPDSA-N 0 1 347.459 3.529 20 5 EHBDMN CC(=O)Nc1cccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000155454420 1017727059 /nfs/dbraw/zinc/72/70/59/1017727059.db2.gz ZPFITNNZMISURD-ZDUSSCGKSA-N 0 1 327.384 3.712 20 5 EHBDMN CCOc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000101595378 1018373402 /nfs/dbraw/zinc/37/34/02/1018373402.db2.gz XXPYTQGJBHDHNL-ZDUSSCGKSA-N 0 1 330.384 3.853 20 5 EHBDMN CC[C@@H](N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1F ZINC000594019409 1032789251 /nfs/dbraw/zinc/78/92/51/1032789251.db2.gz KKXOSOVYSIVDNN-SWLSCSKDSA-N 0 1 345.374 3.802 20 5 EHBDMN Cc1c([C@H](C)NCc2ccc(N3CCCC3)nc2)cccc1[N+](=O)[O-] ZINC000151044313 1019056717 /nfs/dbraw/zinc/05/67/17/1019056717.db2.gz IDMYMHIVNJCVMD-HNNXBMFYSA-N 0 1 340.427 3.749 20 5 EHBDMN Cc1ccc([C@@H](C)N(C)C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c(C)c1 ZINC000433675771 1019510286 /nfs/dbraw/zinc/51/02/86/1019510286.db2.gz RCVDMBRYAXNIQZ-CYBMUJFWSA-N 0 1 344.415 3.891 20 5 EHBDMN CC(C)C(CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000557393535 1032845396 /nfs/dbraw/zinc/84/53/96/1032845396.db2.gz TVCMMQFLLXUGMP-SFHVURJKSA-N 0 1 344.459 3.936 20 5 EHBDMN CC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000156828294 1020476170 /nfs/dbraw/zinc/47/61/70/1020476170.db2.gz AGTTUMXUGMGUMC-MRXNPFEDSA-N 0 1 349.337 3.552 20 5 EHBDMN Cc1c(Cc2noc(-c3ccc(Cl)cc3O)n2)cccc1[N+](=O)[O-] ZINC000436940469 1021404406 /nfs/dbraw/zinc/40/44/06/1021404406.db2.gz AMXNQRXWPZKECW-UHFFFAOYSA-N 0 1 345.742 3.903 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000593747738 1033046857 /nfs/dbraw/zinc/04/68/57/1033046857.db2.gz BAYQTHCWZHWKJL-KBPBESRZSA-N 0 1 334.416 3.787 20 5 EHBDMN CC1(C)CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2cccc(Cl)c21 ZINC000506196225 1022509762 /nfs/dbraw/zinc/50/97/62/1022509762.db2.gz WULAYKZRVFGFSF-UHFFFAOYSA-N 0 1 346.770 3.892 20 5 EHBDMN CC(C)[C@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000438481643 1022704068 /nfs/dbraw/zinc/70/40/68/1022704068.db2.gz YEGPUUPBQJKGLR-ZDUSSCGKSA-N 0 1 348.321 3.528 20 5 EHBDMN CCC1(CC)CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000438507904 1022745169 /nfs/dbraw/zinc/74/51/69/1022745169.db2.gz LBMBGYFPYHUHHJ-AWEZNQCLSA-N 0 1 333.432 3.742 20 5 EHBDMN COc1cc(CN(C)CCCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000507159033 1023153412 /nfs/dbraw/zinc/15/34/12/1023153412.db2.gz GJFBHRXXXZAZHM-UHFFFAOYSA-N 0 1 344.411 3.677 20 5 EHBDMN CC(C)[C@H](CC(F)(F)F)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000510792468 1023168621 /nfs/dbraw/zinc/16/86/21/1023168621.db2.gz RQZZLBLFAKBXHR-LBPRGKRZSA-N 0 1 326.265 3.940 20 5 EHBDMN COc1ccc(CN2CCC(Cc3nccs3)CC2)cc1[N+](=O)[O-] ZINC000602735777 1033126632 /nfs/dbraw/zinc/12/66/32/1033126632.db2.gz XTGSTIGTTWCQDA-UHFFFAOYSA-N 0 1 347.440 3.515 20 5 EHBDMN CC(C)Oc1ccccc1[C@@H](C)NCc1cc(O)ccc1[N+](=O)[O-] ZINC000610786171 1023514745 /nfs/dbraw/zinc/51/47/45/1023514745.db2.gz VLCRAMZSUJKEKX-CYBMUJFWSA-N 0 1 330.384 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C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017253 1137564699 /nfs/dbraw/zinc/56/46/99/1137564699.db2.gz XROCXGTWDHKWFH-CZUORRHYSA-N 0 1 347.390 3.815 20 5 EHBDMN C[C@H](N[C@H](CO)[C@@H](C)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045532 1137567510 /nfs/dbraw/zinc/56/75/10/1137567510.db2.gz NXLXXVWJPRQEOX-HEHGZKQESA-N 0 1 332.375 3.549 20 5 EHBDMN C[C@@H](NCC1([C@H](O)c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052592 1137568205 /nfs/dbraw/zinc/56/82/05/1137568205.db2.gz PJFCIJCSPRBKJE-FZKQIMNGSA-N 0 1 344.386 3.898 20 5 EHBDMN COCC[C@@H](Cc1ccco1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060527 1137568918 /nfs/dbraw/zinc/56/89/18/1137568918.db2.gz QNSLLYCXFQRXLY-STQMWFEESA-N 0 1 336.363 3.625 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](OC4CCC4)CC3)nc2c1 ZINC000872281814 1137577767 /nfs/dbraw/zinc/57/77/67/1137577767.db2.gz WDVQLDAXZZJEJA-HNNXBMFYSA-N 0 1 345.399 3.660 20 5 EHBDMN O=C([O-])CN1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000874048289 1137609834 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EHBDMN Cc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])cc1 ZINC000331636810 1137915631 /nfs/dbraw/zinc/91/56/31/1137915631.db2.gz QDIWZEXFVLPNPN-AWEZNQCLSA-N 0 1 342.399 3.727 20 5 EHBDMN Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000120911033 1137953499 /nfs/dbraw/zinc/95/34/99/1137953499.db2.gz HLIHLVNFQSVONP-AWEZNQCLSA-N 0 1 345.418 3.955 20 5 EHBDMN COCc1ccc([C@@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000131347781 1138511571 /nfs/dbraw/zinc/51/15/71/1138511571.db2.gz VLKHPJUEGYATHL-HNNXBMFYSA-N 0 1 346.383 3.550 20 5 EHBDMN C[C@H](c1ccccn1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177353515 1139615709 /nfs/dbraw/zinc/61/57/09/1139615709.db2.gz PZWKQYWUMLCTOO-CQSZACIVSA-N 0 1 327.384 3.594 20 5 EHBDMN COc1cc(CN[C@H](c2ccccc2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184317231 1140095895 /nfs/dbraw/zinc/09/58/95/1140095895.db2.gz YCQCJFIEYAIQKY-GOSISDBHSA-N 0 1 330.359 3.983 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000192971831 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334.759 3.506 20 5 EHBDMN C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(C)(C)CC(=O)[O-] ZINC001339150607 962009563 /nfs/dbraw/zinc/00/95/63/962009563.db2.gz DCAJLXXTJMHNPM-UHFFFAOYSA-N 0 1 332.356 3.540 20 5 EHBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001603391307 973009133 /nfs/dbraw/zinc/00/91/33/973009133.db2.gz JPIRLHCMUVHGKY-BDAKNGLRSA-N 0 1 347.198 3.587 20 5 EHBDMN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001603391307 973009145 /nfs/dbraw/zinc/00/91/45/973009145.db2.gz JPIRLHCMUVHGKY-BDAKNGLRSA-N 0 1 347.198 3.587 20 5 EHBDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738812 974984865 /nfs/dbraw/zinc/98/48/65/974984865.db2.gz ZHRQKTAXFAVXIS-GUYCJALGSA-N 0 1 340.379 3.671 20 5 EHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000901553422 980379822 /nfs/dbraw/zinc/37/98/22/980379822.db2.gz UKDQSCMGHLTYET-LTBFUDJGSA-N 0 1 332.400 3.575 20 5 EHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC001598501172 992436926 /nfs/dbraw/zinc/43/69/26/992436926.db2.gz FZLSFEHDZHVIFY-MRXNPFEDSA-N 0 1 348.786 3.548 20 5 EHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1(c2ccccc2)CC1 ZINC000189321991 1016505668 /nfs/dbraw/zinc/50/56/68/1016505668.db2.gz VGDBBEGETBQFCF-UHFFFAOYSA-N 0 1 337.379 3.900 20 5 EHBDMN CC(C)[C@H]1N(Cc2ccc([N+](=O)[O-])cc2Cl)CC12CCOCC2 ZINC000414537034 1016963425 /nfs/dbraw/zinc/96/34/25/1016963425.db2.gz KNQIXLGXFHHONB-MRXNPFEDSA-N 0 1 338.835 3.885 20 5 EHBDMN CCN(CC)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000175730249 1016977484 /nfs/dbraw/zinc/97/74/84/1016977484.db2.gz QUNXXGHUPDOSPT-GOSISDBHSA-N 0 1 341.411 3.925 20 5 EHBDMN CC(C)C[C@H](N)c1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000414613076 1017028005 /nfs/dbraw/zinc/02/80/05/1017028005.db2.gz DOHDXWBKPVATLA-JTQLQIEISA-N 0 1 344.293 3.710 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2NCC[C@@H]3CCCC[C@@H]23)n1 ZINC000904604343 1032153695 /nfs/dbraw/zinc/15/36/95/1032153695.db2.gz QEYCSSCYRNESIC-APHBMKBZSA-N 0 1 342.399 3.794 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H](c4cccc(F)c4)C3)nc2c1 ZINC000083170874 1032405657 /nfs/dbraw/zinc/40/56/57/1032405657.db2.gz AVFYGWYVPCSIGW-CYBMUJFWSA-N 0 1 341.342 3.865 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000449452048 1032570190 /nfs/dbraw/zinc/57/01/90/1032570190.db2.gz JRIZISPRDFTQIU-KRWDZBQOSA-N 0 1 334.803 3.722 20 5 EHBDMN C[C@@H](NC1(c2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000537449878 1032739635 /nfs/dbraw/zinc/73/96/35/1032739635.db2.gz LNBIJIHTBCKHRY-GFCCVEGCSA-N 0 1 326.352 3.663 20 5 EHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccnc(C(F)(F)F)c1 ZINC000579495026 1018841087 /nfs/dbraw/zinc/84/10/87/1018841087.db2.gz KKWHGSPJLZSUFI-CYBMUJFWSA-N 0 1 337.301 3.786 20 5 EHBDMN CC(C)CC[C@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433974572 1019836389 /nfs/dbraw/zinc/83/63/89/1019836389.db2.gz PBMXCIAAFZCJFK-CYBMUJFWSA-N 0 1 336.436 3.872 20 5 EHBDMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000610516014 1021174869 /nfs/dbraw/zinc/17/48/69/1021174869.db2.gz VJHPYSSOWHHLOI-DZGCQCFKSA-N 0 1 331.441 3.979 20 5 EHBDMN COc1cc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000506705388 1021782874 /nfs/dbraw/zinc/78/28/74/1021782874.db2.gz GHVBPMFZJAIISQ-CYBMUJFWSA-N 0 1 330.384 3.805 20 5 EHBDMN CCSC1(CNCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001203216739 1022255288 /nfs/dbraw/zinc/25/52/88/1022255288.db2.gz YECDCUGWONRUKV-UHFFFAOYSA-N 0 1 345.262 3.733 20 5 EHBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1(O)CCCCCC1 ZINC000426201016 1023083772 /nfs/dbraw/zinc/08/37/72/1023083772.db2.gz LDDRLKWHVHDPIZ-UHFFFAOYSA-N 0 1 326.824 3.765 20 5 EHBDMN Cc1ccn2c(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)cnc2c1 ZINC000507172256 1023174272 /nfs/dbraw/zinc/17/42/72/1023174272.db2.gz ABUGJJBMQIULMH-UHFFFAOYSA-N 0 1 338.411 3.962 20 5 EHBDMN Cc1ccc(CN2CC[C@H](O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000602729730 1033118259 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3.939 20 5 EHBDMN Cc1cccc([C@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1C ZINC000538187586 1024215946 /nfs/dbraw/zinc/21/59/46/1024215946.db2.gz KDKSGVLZMARFNB-HNNXBMFYSA-N 0 1 341.411 3.809 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC(OCc3ccccc3)CC2)cc1 ZINC000280999104 1024510284 /nfs/dbraw/zinc/51/02/84/1024510284.db2.gz XMYQSSGKLKRKNU-UHFFFAOYSA-N 0 1 326.396 3.776 20 5 EHBDMN Cn1cc(CN2CC[C@@H]2c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000434980407 1024535370 /nfs/dbraw/zinc/53/53/70/1024535370.db2.gz DPMBWIHZICMKBJ-LJQANCHMSA-N 0 1 348.406 3.942 20 5 EHBDMN CC[C@H](c1ccccc1)N(CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000346664914 1025001190 /nfs/dbraw/zinc/00/11/90/1025001190.db2.gz IALFIVWFFQNPMC-QGZVFWFLSA-N 0 1 341.411 3.667 20 5 EHBDMN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000263410404 1025146833 /nfs/dbraw/zinc/14/68/33/1025146833.db2.gz LFGPTYPTCCBWTC-HNNXBMFYSA-N 0 1 346.408 3.762 20 5 EHBDMN O=[N+]([O-])c1cccnc1NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000024154233 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1 349.390 3.955 20 5 EHBDMN C[N@H+](Cc1cc2ccccc2o1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598508947 992542548 /nfs/dbraw/zinc/54/25/48/992542548.db2.gz NLRRNBIAUSHEFU-UHFFFAOYSA-N 0 1 340.335 3.671 20 5 EHBDMN C[N@@H+](Cc1cc2ccccc2o1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598508947 992542557 /nfs/dbraw/zinc/54/25/57/992542557.db2.gz NLRRNBIAUSHEFU-UHFFFAOYSA-N 0 1 340.335 3.671 20 5 EHBDMN CCc1nn(C)c(CC)c1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154467930 1016035825 /nfs/dbraw/zinc/03/58/25/1016035825.db2.gz XKLRPHIYHDJHDC-UHFFFAOYSA-N 0 1 344.459 3.864 20 5 EHBDMN O=[N+]([O-])c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000066696076 1016414022 /nfs/dbraw/zinc/41/40/22/1016414022.db2.gz ZDNHTVMKKVLPJN-MRXNPFEDSA-N 0 1 332.425 3.838 20 5 EHBDMN COc1c(O)ccc(CN[C@@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000892679957 1016571664 /nfs/dbraw/zinc/57/16/64/1016571664.db2.gz KJZMXMMZEGVENQ-CQSZACIVSA-N 0 1 348.786 3.740 20 5 EHBDMN C[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1 ZINC000414497058 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ZINC000729471718 1023115644 /nfs/dbraw/zinc/11/56/44/1023115644.db2.gz GCOSQKRKWUVCIQ-KRWDZBQOSA-N 0 1 346.406 3.602 20 5 EHBDMN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CC2(CCCC2)c2ccccc21 ZINC000507327035 1023250630 /nfs/dbraw/zinc/25/06/30/1023250630.db2.gz PKGWFWDVKIDRNW-UHFFFAOYSA-N 0 1 338.363 3.773 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@H]1CCCO1 ZINC000342051338 1023804292 /nfs/dbraw/zinc/80/42/92/1023804292.db2.gz SIZFQDAPMZQEKY-FUHWJXTLSA-N 0 1 334.416 3.525 20 5 EHBDMN Cn1cc(CNC(C)(C)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])n1 ZINC000602806909 1033179964 /nfs/dbraw/zinc/17/99/64/1033179964.db2.gz QYDSMENTULLBFU-UHFFFAOYSA-N 0 1 330.432 3.651 20 5 EHBDMN CN(Cc1ccc(OC(F)F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000505615181 1024651211 /nfs/dbraw/zinc/65/12/11/1024651211.db2.gz YVXGWSFYGUIGHU-UHFFFAOYSA-N 0 1 338.310 3.534 20 5 EHBDMN O=[N+]([O-])c1ccc(C=Cc2nc(-c3ccc4[nH]cnc4c3)no2)cc1 ZINC000545030569 1024751331 /nfs/dbraw/zinc/75/13/31/1024751331.db2.gz UGVUEPKVIAQXQE-BAQGIRSFSA-N 0 1 333.307 3.692 20 5 EHBDMN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263136076 1024822938 /nfs/dbraw/zinc/82/29/38/1024822938.db2.gz DEZPBXABFXMFDH-TZMCWYRMSA-N 0 1 344.367 3.540 20 5 EHBDMN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427918669 1024886345 /nfs/dbraw/zinc/88/63/45/1024886345.db2.gz SLIGOAPGDWSTAL-NSHDSACASA-N 0 1 340.335 3.880 20 5 EHBDMN CCc1ccc([C@H](NCC[C@@H](O)CC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346608290 1024946920 /nfs/dbraw/zinc/94/69/20/1024946920.db2.gz PEWDRAOJZHFCDF-MAUKXSAKSA-N 0 1 332.400 3.590 20 5 EHBDMN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263345745 1025127947 /nfs/dbraw/zinc/12/79/47/1025127947.db2.gz ONWJOWJTHCJXKK-GXTWGEPZSA-N 0 1 344.367 3.540 20 5 EHBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccc([N+](=O)[O-])o1 ZINC000072012213 1025147624 /nfs/dbraw/zinc/14/76/24/1025147624.db2.gz NXZBEWMPLRYRQO-UHFFFAOYSA-N 0 1 338.279 3.576 20 5 EHBDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000277480088 1025305534 /nfs/dbraw/zinc/30/55/34/1025305534.db2.gz SKLMRIHQMLSZBX-NXEZZACHSA-N 0 1 337.811 3.731 20 5 EHBDMN C[C@H](N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000442791414 1025487119 /nfs/dbraw/zinc/48/71/19/1025487119.db2.gz LCUQRRORZZNMMU-KBXCAEBGSA-N 0 1 345.443 3.569 20 5 EHBDMN Cc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451095389 1025536989 /nfs/dbraw/zinc/53/69/89/1025536989.db2.gz KXWYEKNYGKMJIH-UHFFFAOYSA-N 0 1 349.412 3.524 20 5 EHBDMN CO[C@@]1(C)C[C@H](NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1(C)C ZINC000451490104 1026033669 /nfs/dbraw/zinc/03/36/69/1026033669.db2.gz OLPHBNZNNAQIGH-YJBOKZPZSA-N 0 1 345.399 3.543 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccccc2F)C(C)C)c1[N+](=O)[O-] ZINC000434188200 1027584572 /nfs/dbraw/zinc/58/45/72/1027584572.db2.gz GHMRNPOHTQVYMK-UHFFFAOYSA-N 0 1 348.378 3.631 20 5 EHBDMN C[C@H]1CN(Cc2cccc(Nc3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000523113351 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347.802 3.846 20 5 EHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000347379951 1028560049 /nfs/dbraw/zinc/56/00/49/1028560049.db2.gz RMWUQEQMYMXNMW-JTQLQIEISA-N 0 1 326.308 3.538 20 5 EHBDMN CCN(CC)[C@H](c1nc(-c2ccc([N+](=O)[O-])o2)no1)c1ccccc1 ZINC000453252528 1029980871 /nfs/dbraw/zinc/98/08/71/1029980871.db2.gz HACCFDXEJLBHMR-HNNXBMFYSA-N 0 1 342.355 3.669 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000520307478 1030056202 /nfs/dbraw/zinc/05/62/02/1030056202.db2.gz CKGILRYZLBFEFY-QGZVFWFLSA-N 0 1 345.399 3.836 20 5 EHBDMN CC(C)[C@@H]1CCCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159432466 1030188965 /nfs/dbraw/zinc/18/89/65/1030188965.db2.gz SQJGNNQAJJMTIN-ZDUSSCGKSA-N 0 1 327.222 3.978 20 5 EHBDMN CC(C)N(CCc1nccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000159830346 1030385084 /nfs/dbraw/zinc/38/50/84/1030385084.db2.gz ASHYSRMAOAWSRC-UHFFFAOYSA-N 0 1 346.412 3.646 20 5 EHBDMN CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447860709 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C[C@H](NCc1nnc(-c2ccccc2[N+](=O)[O-])o1)[C@]12C[C@H]1CCCC2 ZINC000879267075 1137742893 /nfs/dbraw/zinc/74/28/93/1137742893.db2.gz UWWPAYVVIIFJRQ-JCGVRSQUSA-N 0 1 342.399 3.703 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000089512649 1138200638 /nfs/dbraw/zinc/20/06/38/1138200638.db2.gz RTQCWPMBPQRZLC-QAPCUYQASA-N 0 1 326.396 3.852 20 5 EHBDMN CSC[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089910192 1138207473 /nfs/dbraw/zinc/20/74/73/1138207473.db2.gz GZFNVPIVINWNGS-OAHLLOKOSA-N 0 1 333.413 3.577 20 5 EHBDMN CCOc1ccc([C@@H](C)NCc2ccc(OC)c(F)c2)cc1[N+](=O)[O-] ZINC000152718325 1139105630 /nfs/dbraw/zinc/10/56/30/1139105630.db2.gz MUXQFHKTRYPHPY-GFCCVEGCSA-N 0 1 348.374 3.992 20 5 EHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000178686207 1139711795 /nfs/dbraw/zinc/71/17/95/1139711795.db2.gz ABTVUTXBCLRPPT-VQNPYFGKSA-N 0 1 332.425 3.744 20 5 EHBDMN CC(C)OC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181830026 1139935180 /nfs/dbraw/zinc/93/51/80/1139935180.db2.gz ABIDEVPFCSYUBV-GOSISDBHSA-N 0 1 342.395 3.767 20 5 EHBDMN Cc1noc(C2CCN([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC2)n1 ZINC000182686896 1139986262 /nfs/dbraw/zinc/98/62/62/1139986262.db2.gz JRZKHXGYYBERDY-LBPRGKRZSA-N 0 1 330.388 3.535 20 5 EHBDMN COc1ccc(CNCc2cccc(CSC)c2)cc1[N+](=O)[O-] ZINC000189489463 1140347346 /nfs/dbraw/zinc/34/73/46/1140347346.db2.gz RGEFYAKLVYUGSN-UHFFFAOYSA-N 0 1 332.425 3.756 20 5 EHBDMN COc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1F ZINC000192633092 1140541766 /nfs/dbraw/zinc/54/17/66/1140541766.db2.gz KJMAVHWFWCEMQZ-QGZVFWFLSA-N 0 1 330.359 3.910 20 5 EHBDMN C[C@@H](N[C@@H](C)c1ccc([S@](C)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000271445027 1141368635 /nfs/dbraw/zinc/36/86/35/1141368635.db2.gz FLWYICUGCOJWNH-BTELXILVSA-N 0 1 332.425 3.744 20 5 EHBDMN CN(C)Cc1cnc(/C=C\c2ccc3cc([N+](=O)[O-])ccc3n2)s1 ZINC000349113082 1141641439 /nfs/dbraw/zinc/64/14/39/1141641439.db2.gz PSVVKLLHLJIKOI-YVMONPNESA-N 0 1 340.408 3.832 20 5 EHBDMN O=[N+]([O-])c1cccc(CNCc2ccc(Br)s2)c1 ZINC000037985182 213183593 /nfs/dbraw/zinc/18/35/93/213183593.db2.gz NYLWRVXKBWOCNL-UHFFFAOYSA-N 0 1 327.203 3.709 20 5 EHBDMN C[C@]1(C(=O)[O-])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000263535534 604673365 /nfs/dbraw/zinc/67/33/65/604673365.db2.gz ZALHYFHTNJNFMA-KRWDZBQOSA-N 0 1 346.408 3.620 20 5 EHBDMN C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C(=O)[O-])c1ccccc1 ZINC000830825453 604788979 /nfs/dbraw/zinc/78/89/79/604788979.db2.gz WZLRDVUFPPDWLH-HNNXBMFYSA-N 0 1 334.759 3.506 20 5 EHBDMN CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593742427 974986376 /nfs/dbraw/zinc/98/63/76/974986376.db2.gz LRMQUFUUCVKFKV-HOCLYGCPSA-N 0 1 346.427 3.941 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC000601963014 975012902 /nfs/dbraw/zinc/01/29/02/975012902.db2.gz IGFUGPAJIGJWSG-CQSZACIVSA-N 0 1 332.400 3.695 20 5 EHBDMN C[C@@H](C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1)C(=O)[O-] 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347.459 3.639 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120910164 1017182475 /nfs/dbraw/zinc/18/24/75/1017182475.db2.gz FWSWSIGYKUJQLU-AWEZNQCLSA-N 0 1 345.418 3.955 20 5 EHBDMN CC[C@@H](N[C@@H](CCO)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000592402534 1032797278 /nfs/dbraw/zinc/79/72/78/1032797278.db2.gz IRKFUDHFAMXJIB-MSOLQXFVSA-N 0 1 332.375 3.898 20 5 EHBDMN CCOc1cc(CN2CCC[C@@H](OC3CCC3)C2)ccc1[N+](=O)[O-] ZINC000594027220 1032809777 /nfs/dbraw/zinc/80/97/77/1032809777.db2.gz SNRFKHCRDDUIOK-MRXNPFEDSA-N 0 1 334.416 3.527 20 5 EHBDMN CC[C@@H]1CCCN1Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000340686668 1019324725 /nfs/dbraw/zinc/32/47/25/1019324725.db2.gz IWHPMXGTRITDAI-LLVKDONJSA-N 0 1 330.331 3.579 20 5 EHBDMN C[C@@H]1CCCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513661936 1019929024 /nfs/dbraw/zinc/92/90/24/1019929024.db2.gz RJZGKLUOLZGCPN-HFTRVMKXSA-N 0 1 342.443 3.834 20 5 EHBDMN CO[C@]1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000280316299 1020283618 /nfs/dbraw/zinc/28/36/18/1020283618.db2.gz PZEQFBGTNMNZFL-MRXNPFEDSA-N 0 1 344.358 3.587 20 5 EHBDMN C[C@@H](ONC(=O)C(C)(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000160807180 1020517659 /nfs/dbraw/zinc/51/76/59/1020517659.db2.gz BLIXNTLIWXJTMC-CYBMUJFWSA-N 0 1 328.368 3.681 20 5 EHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000602485464 1032914124 /nfs/dbraw/zinc/91/41/24/1032914124.db2.gz QRDDEVWPNMBQBA-TZMCWYRMSA-N 0 1 344.333 3.615 20 5 EHBDMN COC[C@@H](C)N(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000510416142 1020815015 /nfs/dbraw/zinc/81/50/15/1020815015.db2.gz SAJHBANFLOXJDI-CYBMUJFWSA-N 0 1 348.374 3.993 20 5 EHBDMN CC[C@@H](C)Oc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505960504 1021533180 /nfs/dbraw/zinc/53/31/80/1021533180.db2.gz WIUVTJLRJFCBQI-LLVKDONJSA-N 0 1 330.340 3.730 20 5 EHBDMN CCC1(CC)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000598214604 1032993610 /nfs/dbraw/zinc/99/36/10/1032993610.db2.gz BSGFFPQUDDORAS-UHFFFAOYSA-N 0 1 330.388 3.514 20 5 EHBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550391277 1022410050 /nfs/dbraw/zinc/41/00/50/1022410050.db2.gz CIJAALFGGKVAKW-INIZCTEOSA-N 0 1 332.787 3.902 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550391277 1022410057 /nfs/dbraw/zinc/41/00/57/1022410057.db2.gz CIJAALFGGKVAKW-INIZCTEOSA-N 0 1 332.787 3.902 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(F)nc2)CC1 ZINC000276771434 1022762290 /nfs/dbraw/zinc/76/22/90/1022762290.db2.gz HYLLVLGSHVHVHD-CYBMUJFWSA-N 0 1 345.374 3.733 20 5 EHBDMN CCO[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602685393 1033086452 /nfs/dbraw/zinc/08/64/52/1033086452.db2.gz NWZHCOYIIBFXBL-XHDPSFHLSA-N 0 1 346.349 3.861 20 5 EHBDMN Cc1nc([C@H](C)NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)n[nH]1 ZINC000894771498 1022866641 /nfs/dbraw/zinc/86/66/41/1022866641.db2.gz KTMZIXVLRLTDEU-JTQLQIEISA-N 0 1 343.412 3.601 20 5 EHBDMN CCC1(C)CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000507210889 1023189337 /nfs/dbraw/zinc/18/93/37/1023189337.db2.gz UGVSHVSKQCPQTD-UHFFFAOYSA-N 0 1 330.388 3.657 20 5 EHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@H]1OCCc2ccccc21 ZINC000507233859 1023207820 /nfs/dbraw/zinc/20/78/20/1023207820.db2.gz PPZXYOSDYYOSFS-AUUYWEPGSA-N 0 1 326.396 3.902 20 5 EHBDMN COCC1(C2CC2)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000602732460 1033122702 /nfs/dbraw/zinc/12/27/02/1033122702.db2.gz PKOWENTVAOHBED-UHFFFAOYSA-N 0 1 342.395 3.713 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@]3(CCSC3)C2)c(Cl)c1 ZINC000449733930 1033127078 /nfs/dbraw/zinc/12/70/78/1033127078.db2.gz QMRKNTXXVRCHPC-HNNXBMFYSA-N 0 1 326.849 3.967 20 5 EHBDMN CC[C@@H](C)[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccc(Cl)cc1 ZINC000341879441 1023513497 /nfs/dbraw/zinc/51/34/97/1023513497.db2.gz UVISNGHERZHEDH-ABAIWWIYSA-N 0 1 336.823 3.859 20 5 EHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC(F)(F)C3)cs2)c1 ZINC000610787772 1023516194 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EHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000280925755 1024441958 /nfs/dbraw/zinc/44/19/58/1024441958.db2.gz DMYKHWIQWJVPQJ-LBPRGKRZSA-N 0 1 337.177 3.570 20 5 EHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCc3cn[nH]c32)c(Br)c1 ZINC000280925752 1024442468 /nfs/dbraw/zinc/44/24/68/1024442468.db2.gz DMYKHWIQWJVPQJ-GFCCVEGCSA-N 0 1 337.177 3.570 20 5 EHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000427687290 1024735356 /nfs/dbraw/zinc/73/53/56/1024735356.db2.gz IDVJOAXDMMNWKE-LBPRGKRZSA-N 0 1 336.347 3.945 20 5 EHBDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC000277369115 1024781015 /nfs/dbraw/zinc/78/10/15/1024781015.db2.gz WUIJNULDJIPNAQ-DRZSPHRISA-N 0 1 331.420 3.947 20 5 EHBDMN CC[C@H](C)c1nc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)n[nH]1 ZINC000277469873 1025224363 /nfs/dbraw/zinc/22/43/63/1025224363.db2.gz RMCZHLITQSCQHB-VHSXEESVSA-N 0 1 337.811 3.731 20 5 EHBDMN CSCCCN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425441975 1025293634 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343.408 3.833 20 5 EHBDMN Cc1noc(C)c1CN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302169874 1129771254 /nfs/dbraw/zinc/77/12/54/1129771254.db2.gz LTYUHVPMQOOREF-UHFFFAOYSA-N 0 1 326.356 3.693 20 5 EHBDMN Cc1ccc2nc(SCCOc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000059408881 1129987089 /nfs/dbraw/zinc/98/70/89/1129987089.db2.gz PVLVJFIHKZKHPT-UHFFFAOYSA-N 0 1 329.381 3.951 20 5 EHBDMN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543582 1130931071 /nfs/dbraw/zinc/93/10/71/1130931071.db2.gz KPSZNGRHTDEGFJ-SECBINFHSA-N 0 1 344.758 3.616 20 5 EHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC001173236001 1132012108 /nfs/dbraw/zinc/01/21/08/1132012108.db2.gz DJHVRJQVJVSTOQ-TWOQFEAHSA-N 0 1 340.423 3.988 20 5 EHBDMN Cc1[nH+]ccn1-c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505185 1132391547 /nfs/dbraw/zinc/39/15/47/1132391547.db2.gz SUCVQQIAIQHLHL-UHFFFAOYSA-N 0 1 338.323 3.531 20 5 EHBDMN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000749298167 1132518248 /nfs/dbraw/zinc/51/82/48/1132518248.db2.gz ZJPHKMKLQFFGBG-CYBMUJFWSA-N 0 1 329.356 3.971 20 5 EHBDMN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCc3ccc(C(F)(F)F)cc3C2)C1 ZINC001169035325 1132637399 /nfs/dbraw/zinc/63/73/99/1132637399.db2.gz KGZRHNQMIXRWNC-XHDPSFHLSA-N 0 1 328.334 3.509 20 5 EHBDMN Cc1cnc(CN)n1-c1cnc2c3ccccc3c3ccccc3c2n1 ZINC001169020205 1132639289 /nfs/dbraw/zinc/63/92/89/1132639289.db2.gz HYXLPTGGAFUDAQ-UHFFFAOYSA-N 0 1 339.402 3.889 20 5 EHBDMN Cc1cc(C)c(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1C ZINC001179353372 1133243689 /nfs/dbraw/zinc/24/36/89/1133243689.db2.gz QDGQPELOCKKVJN-IBGZPJMESA-N 0 1 328.412 3.517 20 5 EHBDMN Cc1noc(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000770013512 1133371029 /nfs/dbraw/zinc/37/10/29/1133371029.db2.gz VRIFTWMXSATCKD-UHFFFAOYSA-N 0 1 341.298 3.950 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000786880486 1133923518 /nfs/dbraw/zinc/92/35/18/1133923518.db2.gz QSCMDQWVTXCZKY-KSSFIOAISA-N 0 1 346.427 3.914 20 5 EHBDMN CCN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H](COC)Cc1ccccc1 ZINC000746668804 1133988535 /nfs/dbraw/zinc/98/85/35/1133988535.db2.gz BGUKFVMXVSDDOC-SFHVURJKSA-N 0 1 346.402 3.814 20 5 EHBDMN COC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000788796787 1134170549 /nfs/dbraw/zinc/17/05/49/1134170549.db2.gz VALAHSBJEWIJKP-ZBEGNZNMSA-N 0 1 349.818 3.869 20 5 EHBDMN Cc1c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC000790695283 1134453826 /nfs/dbraw/zinc/45/38/26/1134453826.db2.gz MHZMVTVIMVMKNL-ZDUSSCGKSA-N 0 1 329.356 3.971 20 5 EHBDMN Cc1ccccc1C[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775205527 1134515290 /nfs/dbraw/zinc/51/52/90/1134515290.db2.gz ZDTXTXOHOXTGQM-CQSZACIVSA-N 0 1 343.383 3.874 20 5 EHBDMN COc1ccc(C[C@@H](C)N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170340092 1134759001 /nfs/dbraw/zinc/75/90/01/1134759001.db2.gz DKJSTUQVEMFDHN-DGCLKSJQSA-N 0 1 346.349 3.809 20 5 EHBDMN CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191529257 1134880728 /nfs/dbraw/zinc/88/07/28/1134880728.db2.gz DBIWMAKGLMDMNI-MRXNPFEDSA-N 0 1 341.411 3.531 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2cnn(CN3CCC(C4CC4)CC3)c2)cc1 ZINC000793632233 1134975478 /nfs/dbraw/zinc/97/54/78/1134975478.db2.gz RPRYQZRKQQWGRH-UHFFFAOYSA-N 0 1 326.400 3.538 20 5 EHBDMN C/C=C\C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001196613677 1135589736 /nfs/dbraw/zinc/58/97/36/1135589736.db2.gz KVZAUSKWLRDCPT-VUBDOFJKSA-N 0 1 331.416 3.600 20 5 EHBDMN C[C@H](NCc1ccnc(Br)c1)c1ccc([N+](=O)[O-])cc1 ZINC001197661338 1135717428 /nfs/dbraw/zinc/71/74/28/1135717428.db2.gz UOQAGYJFGQUXBA-JTQLQIEISA-N 0 1 336.189 3.603 20 5 EHBDMN O=C(Nc1cc(F)c(F)c(F)c1F)c1c(F)cccc1[N+](=O)[O-] ZINC001132498298 1136020476 /nfs/dbraw/zinc/02/04/76/1136020476.db2.gz VOJAMEHQOPLOKE-UHFFFAOYSA-N 0 1 332.184 3.543 20 5 EHBDMN COC(=O)C(C)(C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811505525 1136101356 /nfs/dbraw/zinc/10/13/56/1136101356.db2.gz DJAOPFNYOJCQHZ-UHFFFAOYSA-N 0 1 349.214 3.581 20 5 EHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847513 1136259304 /nfs/dbraw/zinc/25/93/04/1136259304.db2.gz DSJZYOMGWITDER-UGSOOPFHSA-N 0 1 332.375 3.678 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H](O)c2ccccc2)c(F)c1 ZINC000747840762 1136306900 /nfs/dbraw/zinc/30/69/00/1136306900.db2.gz SRKSQGUKILHNLQ-RTBURBONSA-N 0 1 344.386 3.822 20 5 EHBDMN COc1cccc(C2=CC[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000338941410 1136422124 /nfs/dbraw/zinc/42/21/24/1136422124.db2.gz GXKQKKYPXMANRX-UHFFFAOYSA-N 0 1 340.379 3.598 20 5 EHBDMN COc1cccc(C2=CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])CC2)c1 ZINC000338941410 1136422125 /nfs/dbraw/zinc/42/21/25/1136422125.db2.gz GXKQKKYPXMANRX-UHFFFAOYSA-N 0 1 340.379 3.598 20 5 EHBDMN C[C@@H](OC(=O)[C@@H]1CCCCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000815448824 1136597134 /nfs/dbraw/zinc/59/71/34/1136597134.db2.gz VGJNTCBBHHMVRF-KDOFPFPSSA-N 0 1 346.427 3.996 20 5 EHBDMN COc1ccc([C@@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)cc1F ZINC000860102785 1137044371 /nfs/dbraw/zinc/04/43/71/1137044371.db2.gz HFUWPDBWGJLLCB-CYBMUJFWSA-N 0 1 348.349 3.871 20 5 EHBDMN CC(C)(CCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1)[N+](=O)[O-] ZINC000822638984 1137067830 /nfs/dbraw/zinc/06/78/30/1137067830.db2.gz JOUAAKODAVXONV-UHFFFAOYSA-N 0 1 342.355 3.597 20 5 EHBDMN COc1ccc([C@@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)C2CC2)cn1 ZINC000862552231 1137149849 /nfs/dbraw/zinc/14/98/49/1137149849.db2.gz ZPIXIXGWOYXSEO-KRWDZBQOSA-N 0 1 347.802 3.893 20 5 EHBDMN CC[C@H](C)c1nnc([C@@H](C)N[C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])[nH]1 ZINC000866348109 1137348008 /nfs/dbraw/zinc/34/80/08/1137348008.db2.gz ZPZRNBNTWHUNBJ-QJPTWQEYSA-N 0 1 349.410 3.647 20 5 EHBDMN CC[C@H](N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC001171713673 1137505795 /nfs/dbraw/zinc/50/57/95/1137505795.db2.gz KNEDPLMDQOCIDF-PXAZEXFGSA-N 0 1 345.374 3.802 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N(C)C)nc1 ZINC000872020306 1137565050 /nfs/dbraw/zinc/56/50/50/1137565050.db2.gz FRLVYVBQCOFBON-GFCCVEGCSA-N 0 1 346.456 3.629 20 5 EHBDMN C[C@H](N[C@@H](C)[C@@H](O)c1cccc(F)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048735 1137567775 /nfs/dbraw/zinc/56/77/75/1137567775.db2.gz LAWKYIBGSUKNQU-PSVSLLHZSA-N 0 1 336.338 3.646 20 5 EHBDMN Cc1csc([C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000877813817 1137690938 /nfs/dbraw/zinc/69/09/38/1137690938.db2.gz PKNJCVQOEWWUBX-CSPWOOARSA-N 0 1 329.425 3.862 20 5 EHBDMN CC[C@@H](C)CN(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878092965 1137702091 /nfs/dbraw/zinc/70/20/91/1137702091.db2.gz CQTNLAYEUMHKDG-SNVBAGLBSA-N 0 1 338.795 3.776 20 5 EHBDMN COC(=O)[C@H](C)[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000878266499 1137709204 /nfs/dbraw/zinc/70/92/04/1137709204.db2.gz CYAQDENXYIDDRV-RDTXWAMCSA-N 0 1 342.395 3.543 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CC[C@@H](C3CC3)C2)o1 ZINC000878323656 1137710914 /nfs/dbraw/zinc/71/09/14/1137710914.db2.gz BASXXAOKQGVUTE-LLVKDONJSA-N 0 1 348.790 3.530 20 5 EHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000880098065 1137768139 /nfs/dbraw/zinc/76/81/39/1137768139.db2.gz FVAVUVWCXAMFNZ-SECBINFHSA-N 0 1 343.280 3.999 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c1[N+](=O)[O-] ZINC000331661779 1137916286 /nfs/dbraw/zinc/91/62/86/1137916286.db2.gz SOLNWKMVNHHJIK-NWDGAFQWSA-N 0 1 346.387 3.648 20 5 EHBDMN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC000331846737 1137922659 /nfs/dbraw/zinc/92/26/59/1137922659.db2.gz CHAUUVSXAMTPQO-HNNXBMFYSA-N 0 1 330.340 3.569 20 5 EHBDMN COc1ccc([C@@H](CCO)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120272154 1137948018 /nfs/dbraw/zinc/94/80/18/1137948018.db2.gz ZMBRXYGVOYHCBP-RDTXWAMCSA-N 0 1 344.411 3.686 20 5 EHBDMN O=[N+]([O-])c1ncccc1CN1CCC(CCc2ccc(O)cc2)CC1 ZINC000885956191 1138028318 /nfs/dbraw/zinc/02/83/18/1138028318.db2.gz LHLXHYLONQBEGU-UHFFFAOYSA-N 0 1 341.411 3.540 20 5 EHBDMN CSCC[C@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089912546 1138207448 /nfs/dbraw/zinc/20/74/48/1138207448.db2.gz SVSFCAIPVPMOBO-LBPRGKRZSA-N 0 1 335.429 3.823 20 5 EHBDMN CCN(CC)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000126836942 1138340093 /nfs/dbraw/zinc/34/00/93/1138340093.db2.gz HMDLASQRQKZDHS-HNNXBMFYSA-N 0 1 342.443 3.995 20 5 EHBDMN COC[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000192994589 1140558570 /nfs/dbraw/zinc/55/85/70/1140558570.db2.gz UMBOREFCTZYDQF-RBUKOAKNSA-N 0 1 326.396 3.950 20 5 EHBDMN Cc1ccccc1[C@H](C)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269355847 1141097263 /nfs/dbraw/zinc/09/72/63/1141097263.db2.gz HUWRZNCKQOBTFB-LBPRGKRZSA-N 0 1 330.388 3.583 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000271212725 1141327298 /nfs/dbraw/zinc/32/72/98/1141327298.db2.gz DMOIAQGYHMZFDE-ZDUSSCGKSA-N 0 1 329.400 3.520 20 5 EHBDMN COc1ccc([C@@H](OC)[C@@H](C)NCc2csc([N+](=O)[O-])c2)cc1 ZINC000271485006 1141378009 /nfs/dbraw/zinc/37/80/09/1141378009.db2.gz IQMJEVTXGXXHPD-BZNIZROVSA-N 0 1 336.413 3.531 20 5 EHBDMN COc1ccccc1[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283052302 1141544823 /nfs/dbraw/zinc/54/48/23/1141544823.db2.gz JAWJFCBLWYAXGX-AWEZNQCLSA-N 0 1 330.359 3.732 20 5 EHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccnc(OC)c2)cc1[N+](=O)[O-] ZINC000348677040 1141565518 /nfs/dbraw/zinc/56/55/18/1141565518.db2.gz DXPHLDMAWUZCQV-STQMWFEESA-N 0 1 345.399 3.809 20 5 EHBDMN COc1cc(/C=C\c2ccc3cccc(O)c3n2)cc([N+](=O)[O-])c1O ZINC000098021253 219070464 /nfs/dbraw/zinc/07/04/64/219070464.db2.gz IYLMLDPAYYLONF-ALCCZGGFSA-N 0 1 338.319 3.733 20 5 EHBDMN Cc1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)oc1C(=O)[O-] ZINC000595279042 974994406 /nfs/dbraw/zinc/99/44/06/974994406.db2.gz CNIYQWWOLSEOIA-CQSZACIVSA-N 0 1 344.367 3.574 20 5 EHBDMN CC(C)C[C@H](N)c1noc(-c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000414619521 1017067371 /nfs/dbraw/zinc/06/73/71/1017067371.db2.gz 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CCc1cccc2c1OCC[C@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591288 1136616021 /nfs/dbraw/zinc/61/60/21/1136616021.db2.gz BZVHHWIDHYAFIU-SJKOYZFVSA-N 0 1 341.411 3.914 20 5 EHBDMN Cc1ccc(O[C@H]2CCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)nc1 ZINC000858035858 1136934214 /nfs/dbraw/zinc/93/42/14/1136934214.db2.gz LVVHUJVNYVJDLT-GJZGRUSLSA-N 0 1 327.384 3.513 20 5 EHBDMN C[C@H](N[C@H](c1ccccn1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858483980 1136972199 /nfs/dbraw/zinc/97/21/99/1136972199.db2.gz GBNVLZCAUWCQOS-SGTLLEGYSA-N 0 1 326.400 3.764 20 5 EHBDMN COC(=O)CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173398679 1136999572 /nfs/dbraw/zinc/99/95/72/1136999572.db2.gz ASSXMSVBOZLZPS-KSSFIOAISA-N 0 1 342.395 3.940 20 5 EHBDMN O=[N+]([O-])c1cc(CNc2ccc3c(n2)CCC3)ccc1Br ZINC000825124579 1137166295 /nfs/dbraw/zinc/16/62/95/1137166295.db2.gz SKBMAFGNDBPBLH-UHFFFAOYSA-N 0 1 348.200 3.853 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCCc2c1cnn2C ZINC000872021233 1137565205 /nfs/dbraw/zinc/56/52/05/1137565205.db2.gz OQRMTYYFUGJCPI-IAQYHMDHSA-N 0 1 346.456 3.778 20 5 EHBDMN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccc(F)cc1 ZINC000872033256 1137566706 /nfs/dbraw/zinc/56/67/06/1137566706.db2.gz CAQLAQNRBJFWHW-RVPKQNPDSA-N 0 1 336.338 3.646 20 5 EHBDMN COc1cc(N2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000872649346 1137582487 /nfs/dbraw/zinc/58/24/87/1137582487.db2.gz YCHYXZFDYLZRJP-ZDUSSCGKSA-N 0 1 344.415 3.834 20 5 EHBDMN Cc1c(CN[C@@H](c2ccccc2)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000873028436 1137588451 /nfs/dbraw/zinc/58/84/51/1137588451.db2.gz MGCBEJVKDQHJFV-OALUTQOASA-N 0 1 326.396 3.913 20 5 EHBDMN C[C@@H](NC1CC(n2cc([N+](=O)[O-])cn2)C1)c1c(F)cccc1Cl ZINC000877082107 1137669878 /nfs/dbraw/zinc/66/98/78/1137669878.db2.gz WBDAMRMALIOFJS-KPPDAEKUSA-N 0 1 338.770 3.638 20 5 EHBDMN CCCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC1 ZINC000878055940 1137700857 /nfs/dbraw/zinc/70/08/57/1137700857.db2.gz SDJOXOFSMTWBFM-UHFFFAOYSA-N 0 1 336.779 3.673 20 5 EHBDMN COC(=O)[C@@H](C)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000878266498 1137709136 /nfs/dbraw/zinc/70/91/36/1137709136.db2.gz CYAQDENXYIDDRV-KSSFIOAISA-N 0 1 342.395 3.543 20 5 EHBDMN C[C@H]1CC[C@]2(CCN(Cc3nnc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000878399661 1137714407 /nfs/dbraw/zinc/71/44/07/1137714407.db2.gz PNGCDXXNPJEVBO-UGSOOPFHSA-N 0 1 342.399 3.657 20 5 EHBDMN C[C@H](NCc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@@]12C[C@@H]1CCCC2 ZINC000879263093 1137742753 /nfs/dbraw/zinc/74/27/53/1137742753.db2.gz KVNWKXWACKOATH-XAYKYTGQSA-N 0 1 342.399 3.703 20 5 EHBDMN COc1cc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c([N+](=O)[O-])cc1F ZINC000879672058 1137754828 /nfs/dbraw/zinc/75/48/28/1137754828.db2.gz RGQADTSOLWMGTN-ZYHUDNBSSA-N 0 1 348.296 3.729 20 5 EHBDMN COc1ccc(CN(Cc2cccnc2[N+](=O)[O-])C(C)(C)C)cc1 ZINC000886209601 1138059486 /nfs/dbraw/zinc/05/94/86/1138059486.db2.gz PQIAKPUGHYDJPX-UHFFFAOYSA-N 0 1 329.400 3.799 20 5 EHBDMN COC(=O)CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000180674071 1139855140 /nfs/dbraw/zinc/85/51/40/1139855140.db2.gz VNTNPQGYUWNCSN-KSSFIOAISA-N 0 1 342.395 3.940 20 5 EHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000185497052 1140152524 /nfs/dbraw/zinc/15/25/24/1140152524.db2.gz HHWXLCXMADBBHW-HNNXBMFYSA-N 0 1 326.396 3.639 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCNc2ccccc21 ZINC000192826180 1140553080 /nfs/dbraw/zinc/55/30/80/1140553080.db2.gz IUSKEACKZCVLGI-QGZVFWFLSA-N 0 1 327.384 3.640 20 5 EHBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccco1 ZINC000266141093 1140646294 /nfs/dbraw/zinc/64/62/94/1140646294.db2.gz HFQMTTPYLOZJTA-LBPRGKRZSA-N 0 1 341.314 3.504 20 5 EHBDMN CC[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000339189217 1141522730 /nfs/dbraw/zinc/52/27/30/1141522730.db2.gz MNODSBNLXWLRDH-HNNXBMFYSA-N 0 1 346.383 3.559 20 5 EHBDMN COc1cc(C)c([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1OC ZINC000283256953 1141580065 /nfs/dbraw/zinc/58/00/65/1141580065.db2.gz VTYNJFHSANYKID-LBPRGKRZSA-N 0 1 348.374 3.910 20 5 EHBDMN COCCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000349059079 1141630920 /nfs/dbraw/zinc/63/09/20/1141630920.db2.gz BFCNHDZQEILWAF-VBKFSLOCSA-N 0 1 341.411 3.542 20 5 EHBDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000581619220 953719243 /nfs/dbraw/zinc/71/92/43/953719243.db2.gz FJORSBIEHPGMQB-ZDUSSCGKSA-N 0 1 346.408 3.734 20 5 EHBDMN C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)CC(=O)[O-] ZINC001331934929 961420248 /nfs/dbraw/zinc/42/02/48/961420248.db2.gz XLCRCCYYMKONKI-UHFFFAOYSA-N 0 1 332.356 3.540 20 5 EHBDMN Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000593736585 974985470 /nfs/dbraw/zinc/98/54/70/974985470.db2.gz NMXGTONKWTYZQU-SNVBAGLBSA-N 0 1 349.412 3.559 20 5 EHBDMN Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000593736585 974985474 /nfs/dbraw/zinc/98/54/74/974985474.db2.gz NMXGTONKWTYZQU-SNVBAGLBSA-N 0 1 349.412 3.559 20 5 EHBDMN O=C([O-])c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cs1 ZINC000595279718 974995217 /nfs/dbraw/zinc/99/52/17/974995217.db2.gz ZLTOCQCUWGVROH-AWEZNQCLSA-N 0 1 346.408 3.734 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC000601963013 975012775 /nfs/dbraw/zinc/01/27/75/975012775.db2.gz IGFUGPAJIGJWSG-AWEZNQCLSA-N 0 1 332.400 3.695 20 5 EHBDMN CCc1cccc(CC)c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120112832 1014393107 /nfs/dbraw/zinc/39/31/07/1014393107.db2.gz KCSIUBLPWAECGA-UHFFFAOYSA-N 0 1 340.426 3.582 20 5 EHBDMN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901521654 980338854 /nfs/dbraw/zinc/33/88/54/980338854.db2.gz DJNLDFKPWZOAAE-LBPRGKRZSA-N 0 1 340.807 3.571 20 5 EHBDMN CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1OC ZINC001595299245 980425389 /nfs/dbraw/zinc/42/53/89/980425389.db2.gz NKCVTPILEONLNW-OAHLLOKOSA-N 0 1 344.367 3.543 20 5 EHBDMN Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910343238 981881741 /nfs/dbraw/zinc/88/17/41/981881741.db2.gz AUWNBGMOAIEKPH-LBPRGKRZSA-N 0 1 349.431 3.524 20 5 EHBDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC001589486703 987034043 /nfs/dbraw/zinc/03/40/43/987034043.db2.gz LBUNFDLAHWOPFC-GFCCVEGCSA-N 0 1 344.367 3.682 20 5 EHBDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001591586930 992794049 /nfs/dbraw/zinc/79/40/49/992794049.db2.gz CXLSKOTXRDQEPW-UHFFFAOYSA-N 0 1 335.187 3.587 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@H](C)c1ccccc1 ZINC000066854382 1015778709 /nfs/dbraw/zinc/77/87/09/1015778709.db2.gz RFQIALBWLPNDKF-HNNXBMFYSA-N 0 1 341.411 3.577 20 5 EHBDMN COCCCOc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000154849853 1015857317 /nfs/dbraw/zinc/85/73/17/1015857317.db2.gz BPAMKLFDTUFSTP-OAHLLOKOSA-N 0 1 344.411 3.861 20 5 EHBDMN CCO[C@@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000120836918 1016352830 /nfs/dbraw/zinc/35/28/30/1016352830.db2.gz DXSXNWJGDRJLCH-JKSUJKDBSA-N 0 1 345.399 3.516 20 5 EHBDMN CC(C)C[C@@H](N)c1noc(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1 ZINC000414613077 1017027306 /nfs/dbraw/zinc/02/73/06/1017027306.db2.gz DOHDXWBKPVATLA-SNVBAGLBSA-N 0 1 344.293 3.710 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459533652 1032250986 /nfs/dbraw/zinc/25/09/86/1032250986.db2.gz PMSAXSLIOFZGEO-IBGZPJMESA-N 0 1 340.423 3.978 20 5 EHBDMN C[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1nc2c(s1)CCC2 ZINC000459651215 1032374485 /nfs/dbraw/zinc/37/44/85/1032374485.db2.gz OWOFNCQZZAXCHM-PZBABLGHSA-N 0 1 329.425 3.904 20 5 EHBDMN CC[C@@H](C)[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)OC ZINC000449403238 1032525649 /nfs/dbraw/zinc/52/56/49/1032525649.db2.gz VLMVMGRRFQDXCF-WBMJQRKESA-N 0 1 349.456 3.869 20 5 EHBDMN COc1cc(CNc2nccc3sccc32)cc([N+](=O)[O-])c1O ZINC000158961069 1017394632 /nfs/dbraw/zinc/39/46/32/1017394632.db2.gz OKAKVTVNWHUXKG-UHFFFAOYSA-N 0 1 331.353 3.531 20 5 EHBDMN CCc1ccc([C@H](CO)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000560907437 1018637837 /nfs/dbraw/zinc/63/78/37/1018637837.db2.gz NJMSYNYWCXHKKG-KUHUBIRLSA-N 0 1 328.412 3.850 20 5 EHBDMN CC(C)(C)Oc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000580212444 1018795134 /nfs/dbraw/zinc/79/51/34/1018795134.db2.gz MBGKNGNTHHDYCQ-INIZCTEOSA-N 0 1 341.411 3.944 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1NC1CCN(Cc2ccncc2)CC1 ZINC000052447717 1018953903 /nfs/dbraw/zinc/95/39/03/1018953903.db2.gz SVHZKBRVLPKIKC-UHFFFAOYSA-N 0 1 346.818 3.720 20 5 EHBDMN C[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000178865343 1019322243 /nfs/dbraw/zinc/32/22/43/1019322243.db2.gz VLDIJTJMASNIFK-VMDGZTHMSA-N 0 1 344.386 3.850 20 5 EHBDMN CC(C)CC[C@@H]1CCCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433974574 1019835610 /nfs/dbraw/zinc/83/56/10/1019835610.db2.gz PBMXCIAAFZCJFK-ZDUSSCGKSA-N 0 1 336.436 3.872 20 5 EHBDMN C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000345507699 1020305760 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COc1ccccc1C[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000441419765 1022290408 /nfs/dbraw/zinc/29/04/08/1022290408.db2.gz UIRQLMQUNMNMCR-AWEZNQCLSA-N 0 1 344.411 3.675 20 5 EHBDMN COc1cc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1F ZINC000184238326 1022607447 /nfs/dbraw/zinc/60/74/47/1022607447.db2.gz STUGILVDBIETCO-LBPRGKRZSA-N 0 1 348.374 3.511 20 5 EHBDMN CC[C@H](C)n1ncc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C1CC1 ZINC000356724525 1022815841 /nfs/dbraw/zinc/81/58/41/1022815841.db2.gz HHIKCOGVACGVDM-JTQLQIEISA-N 0 1 344.371 3.598 20 5 EHBDMN Cn1cnc([N+](=O)[O-])c1CN(Cc1ccccc1)[C@@H]1CCCC1(C)C ZINC000426809714 1023060481 /nfs/dbraw/zinc/06/04/81/1023060481.db2.gz FRBKJEPUGVGQFY-QGZVFWFLSA-N 0 1 342.443 3.909 20 5 EHBDMN C[C@H]1CSC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000512864745 1023071521 /nfs/dbraw/zinc/07/15/21/1023071521.db2.gz OXLZQUYAIBSLPA-IINYFYTJSA-N 0 1 335.454 3.559 20 5 EHBDMN CCOc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000276828307 1023084871 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346.349 3.651 20 5 EHBDMN C/C=C\C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001175054565 1132551439 /nfs/dbraw/zinc/55/14/39/1132551439.db2.gz SRISFMQUXGQWFE-VUBDOFJKSA-N 0 1 331.416 3.600 20 5 EHBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](c1cccc(F)c1)N(C)C ZINC000804326549 1132765116 /nfs/dbraw/zinc/76/51/16/1132765116.db2.gz XTWXDBQPLGNNEB-SFHVURJKSA-N 0 1 345.374 3.651 20 5 EHBDMN CCC1(CC)CN(Cn2ncc3cc([N+](=O)[O-])ccc32)CCS1 ZINC000767483065 1133009179 /nfs/dbraw/zinc/00/91/79/1133009179.db2.gz NUDJFGUMKANWDW-UHFFFAOYSA-N 0 1 334.445 3.510 20 5 EHBDMN CC1(C)CN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC(C)(C)C1 ZINC000767515940 1133011577 /nfs/dbraw/zinc/01/15/77/1133011577.db2.gz UCLKCACKBFXTOR-UHFFFAOYSA-N 0 1 343.431 3.569 20 5 EHBDMN Cc1cc(C)cc(CN(C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC001169999456 1133224220 /nfs/dbraw/zinc/22/42/20/1133224220.db2.gz GBLXQPYPHAKDHQ-HNNXBMFYSA-N 0 1 341.411 3.671 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc3c1OCCO3)CCC2 ZINC000774241337 1133640456 /nfs/dbraw/zinc/64/04/56/1133640456.db2.gz CMSIJXRPLJSPEG-QGZVFWFLSA-N 0 1 340.379 3.533 20 5 EHBDMN Cc1c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cccc1[N+](=O)[O-] ZINC000774382854 1133667790 /nfs/dbraw/zinc/66/77/90/1133667790.db2.gz VMHZMFSPWGQSNB-KRWDZBQOSA-N 0 1 341.367 3.979 20 5 EHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000774880677 1134096464 /nfs/dbraw/zinc/09/64/64/1134096464.db2.gz JJLIVGUIWBXTMK-LBPRGKRZSA-N 0 1 345.330 3.632 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccc3F)C2)c([N+](=O)[O-])c1 ZINC000774880677 1134096471 /nfs/dbraw/zinc/09/64/71/1134096471.db2.gz JJLIVGUIWBXTMK-LBPRGKRZSA-N 0 1 345.330 3.632 20 5 EHBDMN C[C@H](N[C@H]1CCCOc2ccc(F)cc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788643298 1134155064 /nfs/dbraw/zinc/15/50/64/1134155064.db2.gz PQLAXFGJQQRFAC-ZBEGNZNMSA-N 0 1 345.374 3.881 20 5 EHBDMN Cc1cccc([C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)c1 ZINC000775060038 1134273083 /nfs/dbraw/zinc/27/30/83/1134273083.db2.gz FSMQOYGZFUHCSW-OAHLLOKOSA-N 0 1 341.367 3.801 20 5 EHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC001190392122 1134690478 /nfs/dbraw/zinc/69/04/78/1134690478.db2.gz LKKBOQSCUAYFMA-KRWDZBQOSA-N 0 1 326.396 3.898 20 5 EHBDMN COc1ccc(C[C@H](C)N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170340090 1134758475 /nfs/dbraw/zinc/75/84/75/1134758475.db2.gz DKJSTUQVEMFDHN-AAEUAGOBSA-N 0 1 346.349 3.809 20 5 EHBDMN CCO[C@H]1C[C@H](NCc2c(F)cccc2[N+](=O)[O-])C12CCCCC2 ZINC001194092428 1135231756 /nfs/dbraw/zinc/23/17/56/1135231756.db2.gz OZJZPMZDXYNHMU-IRXDYDNUSA-N 0 1 336.407 3.951 20 5 EHBDMN COC(=O)Nc1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000809706092 1135875073 /nfs/dbraw/zinc/87/50/73/1135875073.db2.gz KVLPZAXPHUNZNZ-UHFFFAOYSA-N 0 1 349.774 3.716 20 5 EHBDMN C[C@H]1CC[C@](CO)(N(C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809982045 1135908413 /nfs/dbraw/zinc/90/84/13/1135908413.db2.gz GLAQYVQLRMOKCL-BONVTDFDSA-N 0 1 347.242 3.885 20 5 EHBDMN CCOc1ccc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530499 1136280145 /nfs/dbraw/zinc/28/01/45/1136280145.db2.gz ZFAWPLCUODHMNX-IWEFOYFVSA-N 0 1 342.395 3.823 20 5 EHBDMN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852781093 1136485825 /nfs/dbraw/zinc/48/58/25/1136485825.db2.gz COZHTBMETQHFLX-GFCCVEGCSA-N 0 1 330.359 3.910 20 5 EHBDMN O=C(OCC[C@@H](c1ccccc1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000816475915 1136726636 /nfs/dbraw/zinc/72/66/36/1136726636.db2.gz OBHSGYVJDLAGFP-NSHDSACASA-N 0 1 342.273 3.816 20 5 EHBDMN O=c1oc2cccc([N+](=O)[O-])c2n1CN1CCC[C@H]1C1CCCCC1 ZINC000794620132 1137221310 /nfs/dbraw/zinc/22/13/10/1137221310.db2.gz HXERPRMIJOFHMQ-AWEZNQCLSA-N 0 1 345.399 3.505 20 5 EHBDMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539585 1137363042 /nfs/dbraw/zinc/36/30/42/1137363042.db2.gz DGNIYWAAKYQXRK-HNNXBMFYSA-N 0 1 330.359 3.828 20 5 EHBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1[N+](=O)[O-] ZINC000866539993 1137363222 /nfs/dbraw/zinc/36/32/22/1137363222.db2.gz IWZKVOTXWPFHJL-ZDUSSCGKSA-N 0 1 329.356 3.971 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc2c1OCCO2 ZINC000772982500 1137408347 /nfs/dbraw/zinc/40/83/47/1137408347.db2.gz JHCZGDCSFNSLSU-CYBMUJFWSA-N 0 1 328.368 3.525 20 5 EHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C2CCCCC2)C1 ZINC001171804859 1137513420 /nfs/dbraw/zinc/51/34/20/1137513420.db2.gz JMGFYLVOCLVSPE-ZBFHGGJFSA-N 0 1 345.443 3.824 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)c1ccc(C)o1 ZINC000872038448 1137566948 /nfs/dbraw/zinc/56/69/48/1137566948.db2.gz NQLHLVJMWZTTFF-FZMZJTMJSA-N 0 1 336.413 3.602 20 5 EHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000872067328 1137569500 /nfs/dbraw/zinc/56/95/00/1137569500.db2.gz XQBUMJJSYFDRHS-GARJFASQSA-N 0 1 335.383 3.777 20 5 EHBDMN C[C@H](NCC1(c2ccccn2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872070478 1137569577 /nfs/dbraw/zinc/56/95/77/1137569577.db2.gz DAZVXBVUVXGASW-ZDUSSCGKSA-N 0 1 329.375 3.901 20 5 EHBDMN Cc1cccc2nc(CCN[C@@H](C)c3c(F)cccc3[N+](=O)[O-])cn21 ZINC000872080550 1137570142 /nfs/dbraw/zinc/57/01/42/1137570142.db2.gz AFDSUCOXJRARIW-ZDUSSCGKSA-N 0 1 342.374 3.583 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc2c(n1)CCCC2 ZINC000873115200 1137590381 /nfs/dbraw/zinc/59/03/81/1137590381.db2.gz JCWVOYOBWHCXJA-UHFFFAOYSA-N 0 1 325.412 3.775 20 5 EHBDMN Cc1c(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000877674379 1137685363 /nfs/dbraw/zinc/68/53/63/1137685363.db2.gz UZEFZZFBFXQWCS-MJGOQNOKSA-N 0 1 326.396 3.601 20 5 EHBDMN CC1(NCc2cc(Br)c([N+](=O)[O-])s2)CC(F)(F)C1 ZINC000877834848 1137692723 /nfs/dbraw/zinc/69/27/23/1137692723.db2.gz XXXQFAZSOVXSHA-UHFFFAOYSA-N 0 1 341.177 3.696 20 5 EHBDMN CC(C)c1cc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)[nH]n1 ZINC000879918308 1137762454 /nfs/dbraw/zinc/76/24/54/1137762454.db2.gz ABSUNHPTQFYEBL-CQSZACIVSA-N 0 1 346.406 3.960 20 5 EHBDMN CC(C)c1cc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)n[nH]1 ZINC000879918308 1137762455 /nfs/dbraw/zinc/76/24/55/1137762455.db2.gz ABSUNHPTQFYEBL-CQSZACIVSA-N 0 1 346.406 3.960 20 5 EHBDMN O=[N+]([O-])c1ccc(CN(C[C@H](O)c2ccc(F)c(F)c2)C2CC2)cc1 ZINC000130200154 1137834858 /nfs/dbraw/zinc/83/48/58/1137834858.db2.gz OTGXWERYXALWKM-SFHVURJKSA-N 0 1 348.349 3.571 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000331644705 1137915825 /nfs/dbraw/zinc/91/58/25/1137915825.db2.gz RBANCMSMVJSIPO-ZDUSSCGKSA-N 0 1 346.362 3.558 20 5 EHBDMN CC(C)c1nc([C@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000331668279 1137916382 /nfs/dbraw/zinc/91/63/82/1137916382.db2.gz UERZJRUZNZSSFW-GFCCVEGCSA-N 0 1 335.433 3.625 20 5 EHBDMN C[C@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](c2ccco2)C1 ZINC000331991967 1137927881 /nfs/dbraw/zinc/92/78/81/1137927881.db2.gz ZPZKFRLTNVUWLW-XHDPSFHLSA-N 0 1 330.340 3.507 20 5 EHBDMN COc1ccc([C@H](CCO)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000120271970 1137948008 /nfs/dbraw/zinc/94/80/08/1137948008.db2.gz ZMBRXYGVOYHCBP-KSSFIOAISA-N 0 1 344.411 3.686 20 5 EHBDMN CC(=O)c1cc(N2CCC(c3nc(C)c(C)[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000884706365 1137969706 /nfs/dbraw/zinc/96/97/06/1137969706.db2.gz ANKMJIULZKQGRF-UHFFFAOYSA-N 0 1 342.399 3.521 20 5 EHBDMN CSCC[C@@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089912547 1138207283 /nfs/dbraw/zinc/20/72/83/1138207283.db2.gz SVSFCAIPVPMOBO-GFCCVEGCSA-N 0 1 335.429 3.823 20 5 EHBDMN CC(C)N(C)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794323 1140418069 /nfs/dbraw/zinc/41/80/69/1140418069.db2.gz VCNIEWSUOBJLCL-CQSZACIVSA-N 0 1 328.416 3.685 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cnn(-c3ccccc3)c1)CCC2 ZINC000192643562 1140541968 /nfs/dbraw/zinc/54/19/68/1140541968.db2.gz YDENZTRSVBEPGX-HXUWFJFHSA-N 0 1 348.406 3.948 20 5 EHBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000267252563 1140772619 /nfs/dbraw/zinc/77/26/19/1140772619.db2.gz ZSSGJPFCSOWWBK-MGPLVRAMSA-N 0 1 338.766 3.599 20 5 EHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000267361069 1140782237 /nfs/dbraw/zinc/78/22/37/1140782237.db2.gz IGARZAJOZRCDQQ-DOTOQJQBSA-N 0 1 348.443 3.706 20 5 EHBDMN CCC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271512438 1141384690 /nfs/dbraw/zinc/38/46/90/1141384690.db2.gz STPOZRGGFBOENV-ROUUACIJSA-N 0 1 332.375 3.898 20 5 EHBDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595500384 981272091 /nfs/dbraw/zinc/27/20/91/981272091.db2.gz ZACBFAXJHIICLF-KRWDZBQOSA-N 0 1 340.379 3.630 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC2(CCOCC2)C1 ZINC000610215933 1015021710 /nfs/dbraw/zinc/02/17/10/1015021710.db2.gz NPHSVKFQDSCWPR-UHFFFAOYSA-N 0 1 348.443 3.775 20 5 EHBDMN COc1cc2c(cc1Cl)CN(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000339732852 1015615842 /nfs/dbraw/zinc/61/58/42/1015615842.db2.gz DOYUVJYWRWEKET-UHFFFAOYSA-N 0 1 348.786 3.521 20 5 EHBDMN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)CC(=O)[O-] ZINC001598507706 992528936 /nfs/dbraw/zinc/52/89/36/992528936.db2.gz SXXDUXMOFVTGRM-UHFFFAOYSA-N 0 1 335.187 3.587 20 5 EHBDMN CC(C)(C)C[C@@H]1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1(C)C ZINC001626305137 1016237277 /nfs/dbraw/zinc/23/72/77/1016237277.db2.gz OCFYKCZVTGNANX-ZDUSSCGKSA-N 0 1 334.416 3.977 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2NCC[C@H]3CCCC[C@@H]32)n1 ZINC000904604345 1032154617 /nfs/dbraw/zinc/15/46/17/1032154617.db2.gz QEYCSSCYRNESIC-UHOFOFEASA-N 0 1 342.399 3.794 20 5 EHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CCOc2c(F)ccc(F)c21 ZINC000449334531 1032469754 /nfs/dbraw/zinc/46/97/54/1032469754.db2.gz FCZFPQBLKOUIDE-XHDPSFHLSA-N 0 1 348.349 3.917 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCC(O)CC3)CC2)c(Cl)c1 ZINC000449369847 1032485614 /nfs/dbraw/zinc/48/56/14/1032485614.db2.gz VLASTWPZTOEBEL-UHFFFAOYSA-N 0 1 338.835 3.765 20 5 EHBDMN CC(C)c1ccc(CN[C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000376759394 1017093948 /nfs/dbraw/zinc/09/39/48/1017093948.db2.gz URRJYNDRSSIUBT-INIZCTEOSA-N 0 1 328.416 3.619 20 5 EHBDMN Cn1ccnc1[C@@H](NCC1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449484317 1032635537 /nfs/dbraw/zinc/63/55/37/1032635537.db2.gz GGYQYEDPHOJTEF-SFHVURJKSA-N 0 1 342.443 3.978 20 5 EHBDMN CC(C)c1ccc(CNCc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000376770064 1017104882 /nfs/dbraw/zinc/10/48/82/1017104882.db2.gz YFYQXZWVSVJFGM-UHFFFAOYSA-N 0 1 328.416 3.541 20 5 EHBDMN CO[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000449509979 1032696949 /nfs/dbraw/zinc/69/69/49/1032696949.db2.gz WZTLOCVPCRFTSB-MLGOLLRUSA-N 0 1 347.440 3.575 20 5 EHBDMN CC(C)c1ccc([C@H](NCc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000341020585 1017780291 /nfs/dbraw/zinc/78/02/91/1017780291.db2.gz UGFIHWIMVJPHKG-QGZVFWFLSA-N 0 1 330.432 3.939 20 5 EHBDMN C[C@@H]1CCCC[C@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000513652428 1019906587 /nfs/dbraw/zinc/90/65/87/1019906587.db2.gz AJXSEZNNWNOIOU-UWWQBHOKSA-N 0 1 342.443 3.834 20 5 EHBDMN O=[N+]([O-])c1ccccc1N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000247291425 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EHBDMN COc1cc(-c2nc3ccc(Cl)cc3n2C)cc([N+](=O)[O-])c1O ZINC000436949066 1021409476 /nfs/dbraw/zinc/40/94/76/1021409476.db2.gz JNILZTPAOOAZCF-UHFFFAOYSA-N 0 1 333.731 3.516 20 5 EHBDMN Cc1nc(-c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc2)co1 ZINC000780349670 1021997889 /nfs/dbraw/zinc/99/78/89/1021997889.db2.gz KDSHOVBIOBFNKC-UHFFFAOYSA-N 0 1 339.307 3.516 20 5 EHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c3cnccc23)n[nH]1 ZINC000276766269 1022738995 /nfs/dbraw/zinc/73/89/95/1022738995.db2.gz AUKPEXAXSWYBAP-GHMZBOCLSA-N 0 1 340.387 3.948 20 5 EHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Oc2ccc(F)nc2)CC1 ZINC000276771436 1022763599 /nfs/dbraw/zinc/76/35/99/1022763599.db2.gz HYLLVLGSHVHVHD-ZDUSSCGKSA-N 0 1 345.374 3.733 20 5 EHBDMN Cc1c(CN(C)C[C@@H]2OCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000507256800 1023213867 /nfs/dbraw/zinc/21/38/67/1023213867.db2.gz LSXQUUSYZKGNSZ-IBGZPJMESA-N 0 1 326.396 3.649 20 5 EHBDMN Cn1ccnc1[C@H](N[C@H]1CCCC2(CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000897773691 1033160175 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20 5 EHBDMN COc1cc(CN[C@@H]2CCCc3sccc32)c([N+](=O)[O-])cc1OC ZINC000160984684 1031224178 /nfs/dbraw/zinc/22/41/78/1031224178.db2.gz HSHLHVPNSVCEHB-CYBMUJFWSA-N 0 1 348.424 3.841 20 5 EHBDMN COc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1OC ZINC000192701018 1031259778 /nfs/dbraw/zinc/25/97/78/1031259778.db2.gz YNQIQMZOFRVKRZ-KRWDZBQOSA-N 0 1 342.395 3.779 20 5 EHBDMN O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1[N+](=O)[O-] ZINC000340512785 1031577046 /nfs/dbraw/zinc/57/70/46/1031577046.db2.gz WCGIVTLGOLOGFS-UHFFFAOYSA-N 0 1 348.318 3.983 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc([C@@H]3CC[C@@H]4CCCC[C@@H]4N3)n2)s1 ZINC000904110276 1031735035 /nfs/dbraw/zinc/73/50/35/1031735035.db2.gz QVZGCMQWAYALEB-DCAQKATOSA-N 0 1 334.401 3.690 20 5 EHBDMN Cc1nn(CN2CCS[C@@H]3CCCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761292779 1033555176 /nfs/dbraw/zinc/55/51/76/1033555176.db2.gz NEMYBXOUWMBCEA-NVXWUHKLSA-N 0 1 346.456 3.570 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2c(C3CCC3)cnn2C)cc1[N+](=O)[O-] ZINC000594939678 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346.349 3.597 20 5 EHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@H](CCF)C1 ZINC000595754775 1033985081 /nfs/dbraw/zinc/98/50/81/1033985081.db2.gz BULVCDAIMWZLBJ-QWHCGFSZSA-N 0 1 348.378 3.777 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H](C4CCC4)C3)o2)cc1 ZINC000595839449 1034004440 /nfs/dbraw/zinc/00/44/40/1034004440.db2.gz YMGJOYDFBOOJOV-HNNXBMFYSA-N 0 1 342.399 3.657 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599584501 1034025304 /nfs/dbraw/zinc/02/53/04/1034025304.db2.gz ADZICILGQCIYDR-KFWWJZLASA-N 0 1 348.443 3.956 20 5 EHBDMN Cc1cnc(Nc2cnn(CC(C)C)c2C(F)F)c([N+](=O)[O-])c1 ZINC000534062799 1034089945 /nfs/dbraw/zinc/08/99/45/1034089945.db2.gz GSIFFBMOOMRJLN-UHFFFAOYSA-N 0 1 325.319 3.832 20 5 EHBDMN CCO[C@@H](CC)c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000596621183 1034328104 /nfs/dbraw/zinc/32/81/04/1034328104.db2.gz KYYXXOULWVACBI-AWEZNQCLSA-N 0 1 343.343 3.523 20 5 EHBDMN 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EHBDMN COC(=O)CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000180674108 1037071166 /nfs/dbraw/zinc/07/11/66/1037071166.db2.gz VNTNPQGYUWNCSN-KBXCAEBGSA-N 0 1 342.395 3.940 20 5 EHBDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)n[nH]1 ZINC000595044151 1037210544 /nfs/dbraw/zinc/21/05/44/1037210544.db2.gz LGLZAMKWDIXQPI-SRVKXCTJSA-N 0 1 347.419 3.647 20 5 EHBDMN C[C@H](CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000532518769 1037559732 /nfs/dbraw/zinc/55/97/32/1037559732.db2.gz UWNOFEHWLFBNRQ-CABCVRRESA-N 0 1 341.411 3.657 20 5 EHBDMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(OC)c2)cc1F ZINC000538712189 1038485051 /nfs/dbraw/zinc/48/50/51/1038485051.db2.gz OSHOZPCYKYLCIY-LLVKDONJSA-N 0 1 334.347 3.602 20 5 EHBDMN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000905852646 1039160287 /nfs/dbraw/zinc/16/02/87/1039160287.db2.gz LLLLHPVTUUUEJO-CABCVRRESA-N 0 1 341.411 3.889 20 5 EHBDMN COc1ccc(OCCN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 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O=[N+]([O-])c1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)c(Cl)c1 ZINC000301293615 1127734452 /nfs/dbraw/zinc/73/44/52/1127734452.db2.gz WEBDZMDMOCAHHJ-AWEZNQCLSA-N 0 1 346.818 3.720 20 5 EHBDMN O=C(Nc1cccc(-c2nccs2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432458266 1120241553 /nfs/dbraw/zinc/24/15/53/1120241553.db2.gz DZSPYDBCVDUKDD-UHFFFAOYSA-N 0 1 341.348 3.676 20 5 EHBDMN CCc1ccc([C@@H](NCCC[C@@H](C)CO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542496405 1120758602 /nfs/dbraw/zinc/75/86/02/1120758602.db2.gz PQTSZOTVRPDGHM-KUHUBIRLSA-N 0 1 346.427 3.838 20 5 EHBDMN O=[N+]([O-])c1ccc(OC2CCN(C/C=C\c3ccncc3)CC2)cc1 ZINC000494948282 1120909969 /nfs/dbraw/zinc/90/99/69/1120909969.db2.gz BTBPEFGYBBJPCR-UPHRSURJSA-N 0 1 339.395 3.546 20 5 EHBDMN Cc1c(CNCc2ccccc2[N+](=O)[O-])sc2nc(C)nc(C)c12 ZINC000915683565 1121583833 /nfs/dbraw/zinc/58/38/33/1121583833.db2.gz WEEQEXKNODRIHX-UHFFFAOYSA-N 0 1 342.424 3.815 20 5 EHBDMN CC[C@@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000498356654 1122884733 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EHBDMN CCC[C@H](NCc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154768839 1129585963 /nfs/dbraw/zinc/58/59/63/1129585963.db2.gz VELJOUXQGBTJPS-KRWDZBQOSA-N 0 1 328.416 3.687 20 5 EHBDMN CCC(C)(C)[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000156875807 1129741473 /nfs/dbraw/zinc/74/14/73/1129741473.db2.gz DOELQVPQOVMRMG-HNNXBMFYSA-N 0 1 333.432 3.742 20 5 EHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000056196708 1129806175 /nfs/dbraw/zinc/80/61/75/1129806175.db2.gz KBEJRSLEWBUAJG-MNOVXSKESA-N 0 1 349.337 3.551 20 5 EHBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)c1cccc(-n2cccn2)c1 ZINC001168750312 1129939397 /nfs/dbraw/zinc/93/93/97/1129939397.db2.gz JTTWWACMPHLRIJ-GFCCVEGCSA-N 0 1 328.397 3.693 20 5 EHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000245710536 1130297515 /nfs/dbraw/zinc/29/75/15/1130297515.db2.gz FGHSMVRJFPVCSV-SWLSCSKDSA-N 0 1 341.415 3.531 20 5 EHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000736628314 1131428812 /nfs/dbraw/zinc/42/88/12/1131428812.db2.gz IWCKXCLQPKAKMK-CQSZACIVSA-N 0 1 332.350 3.938 20 5 EHBDMN CCC1(CC)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001169431006 1132761726 /nfs/dbraw/zinc/76/17/26/1132761726.db2.gz PZHZJFVIIIZKTO-CQSZACIVSA-N 0 1 333.432 3.824 20 5 EHBDMN CCOc1cc(CN2CCCC[C@@H]2c2cc(C)[nH]n2)ccc1[N+](=O)[O-] ZINC001176485433 1132945435 /nfs/dbraw/zinc/94/54/35/1132945435.db2.gz NKFQBVRPPQXHEE-MRXNPFEDSA-N 0 1 344.415 3.752 20 5 EHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000773705255 1133095322 /nfs/dbraw/zinc/09/53/22/1133095322.db2.gz UQUJVVMDMQUHKX-KBPBESRZSA-N 0 1 338.835 3.887 20 5 EHBDMN COc1c(O)ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC001182771591 1133732016 /nfs/dbraw/zinc/73/20/16/1133732016.db2.gz AUELQTBUZBAGRF-CQSZACIVSA-N 0 1 334.416 3.711 20 5 EHBDMN CCC(=O)c1ccc(NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001186368658 1134203267 /nfs/dbraw/zinc/20/32/67/1134203267.db2.gz VEIKZOBUQKEOOT-QGZVFWFLSA-N 0 1 333.432 3.720 20 5 EHBDMN COCCN(Cc1ccc(C)cc1C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC001190589217 1134723852 /nfs/dbraw/zinc/72/38/52/1134723852.db2.gz MPDXVFUBABYXJT-UHFFFAOYSA-N 0 1 344.411 3.566 20 5 EHBDMN COc1ccc(C[C@@H](C)N2CCc3cc(F)ccc3C2)c([N+](=O)[O-])c1 ZINC001170352300 1134754430 /nfs/dbraw/zinc/75/44/30/1134754430.db2.gz LTNWDSCRFBZQNA-CYBMUJFWSA-N 0 1 344.386 3.732 20 5 EHBDMN COc1ccc(C[C@@H](C)N2CCc3c(F)cccc3C2)c([N+](=O)[O-])c1 ZINC001170351728 1134760892 /nfs/dbraw/zinc/76/08/92/1134760892.db2.gz HIEJGDNUWRGUHS-CYBMUJFWSA-N 0 1 344.386 3.732 20 5 EHBDMN CCc1ccc([C@@H]2C[C@@H](C)CCN2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC001191258262 1134826426 /nfs/dbraw/zinc/82/64/26/1134826426.db2.gz LSCZMNCPGUKWSX-BBRMVZONSA-N 0 1 346.431 3.728 20 5 EHBDMN C[C@@H](Cc1cccs1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001191464696 1134876151 /nfs/dbraw/zinc/87/61/51/1134876151.db2.gz MVBUOYHJEBPXEB-NSHDSACASA-N 0 1 330.413 3.596 20 5 EHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](c1cccs1)N(C)C ZINC000807916401 1135588852 /nfs/dbraw/zinc/58/88/52/1135588852.db2.gz SAPLZVUDEXTIPQ-OAHLLOKOSA-N 0 1 333.413 3.574 20 5 EHBDMN C/C=C\C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001196613673 1135589248 /nfs/dbraw/zinc/58/92/48/1135589248.db2.gz KVZAUSKWLRDCPT-LPUOJRKPSA-N 0 1 331.416 3.600 20 5 EHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](c1ccc(F)cc1)N(C)C ZINC000807928793 1135591705 /nfs/dbraw/zinc/59/17/05/1135591705.db2.gz IIBHSIIJCNJMNW-GOSISDBHSA-N 0 1 345.374 3.651 20 5 EHBDMN C[C@@]1(C2CCCCC2)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001197238025 1135663678 /nfs/dbraw/zinc/66/36/78/1135663678.db2.gz CQLCQDPPPVFUCT-SFHVURJKSA-N 0 1 331.416 3.578 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2COc2ccccc2)cc1F ZINC001170648564 1136153856 /nfs/dbraw/zinc/15/38/56/1136153856.db2.gz ANWHZLKKWIAKLP-HNNXBMFYSA-N 0 1 330.359 3.777 20 5 EHBDMN O=C(OCc1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000850280895 1136230241 /nfs/dbraw/zinc/23/02/41/1136230241.db2.gz LLLMRAJXPRTLDZ-VXGBXAGGSA-N 0 1 347.289 3.712 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H](O)c2ccccc2)c(F)c1 ZINC000747840760 1136307124 /nfs/dbraw/zinc/30/71/24/1136307124.db2.gz SRKSQGUKILHNLQ-OALUTQOASA-N 0 1 344.386 3.822 20 5 EHBDMN O=C(O[C@H](c1ccc2ccccc2c1)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000851583261 1136394409 /nfs/dbraw/zinc/39/44/09/1136394409.db2.gz JWAUVKZKKWQHMM-MGPQQGTHSA-N 0 1 339.269 3.652 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](Oc3ccc(C4CC4)cn3)C2)cc1 ZINC000858014452 1136931690 /nfs/dbraw/zinc/93/16/90/1136931690.db2.gz LKFVOUMUNOEPGK-SFHVURJKSA-N 0 1 339.395 3.521 20 5 EHBDMN CC(C)(C)[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000794703080 1137236197 /nfs/dbraw/zinc/23/61/97/1137236197.db2.gz HUULDCARRMMYHY-OAHLLOKOSA-N 0 1 343.431 3.569 20 5 EHBDMN O=[N+]([O-])c1ccc(CNCCSCCC(F)(F)F)c(F)c1 ZINC000865788385 1137311943 /nfs/dbraw/zinc/31/19/43/1137311943.db2.gz PCZAFWFEOYWEIJ-UHFFFAOYSA-N 0 1 326.315 3.509 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCc2c1cnn2C ZINC000872021230 1137565167 /nfs/dbraw/zinc/56/51/67/1137565167.db2.gz OQRMTYYFUGJCPI-ABAIWWIYSA-N 0 1 346.456 3.778 20 5 EHBDMN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccc(F)cc1 ZINC000872033258 1137566617 /nfs/dbraw/zinc/56/66/17/1137566617.db2.gz CAQLAQNRBJFWHW-WVQJBOLRSA-N 0 1 336.338 3.646 20 5 EHBDMN C[C@H](NC[C@@H]1Cc2ccccc2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087247 1137570610 /nfs/dbraw/zinc/57/06/10/1137570610.db2.gz HHLGIODCKJNNSQ-WFASDCNBSA-N 0 1 330.359 3.526 20 5 EHBDMN C[C@@H](NC[C@@H]1Cc2ccccc2CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087246 1137570665 /nfs/dbraw/zinc/57/06/65/1137570665.db2.gz HHLGIODCKJNNSQ-DOMZBBRYSA-N 0 1 330.359 3.526 20 5 EHBDMN COc1cccc(N2CCC[C@H](c3cc(C(C)C)n[nH]3)C2)c1[N+](=O)[O-] ZINC000872647404 1137582270 /nfs/dbraw/zinc/58/22/70/1137582270.db2.gz FSLJUYFEPQJHBB-ZDUSSCGKSA-N 0 1 344.415 3.834 20 5 EHBDMN CC(C)(O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000877795372 1137690347 /nfs/dbraw/zinc/69/03/47/1137690347.db2.gz IDRBXWDDQHAWNN-ZDUSSCGKSA-N 0 1 346.349 3.597 20 5 EHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000878038294 1137700310 /nfs/dbraw/zinc/70/03/10/1137700310.db2.gz GGZDDFUHLJQVSL-UHFFFAOYSA-N 0 1 338.795 3.776 20 5 EHBDMN Cc1cccc([C@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000331523908 1137911429 /nfs/dbraw/zinc/91/14/29/1137911429.db2.gz GJWCBXUCQSBIJK-CQSZACIVSA-N 0 1 342.399 3.727 20 5 EHBDMN C[C@H](c1ccc(Cl)cc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332487283 1137945291 /nfs/dbraw/zinc/94/52/91/1137945291.db2.gz YIGSWDHPALKSFE-GFCCVEGCSA-N 0 1 334.807 3.843 20 5 EHBDMN COc1ccccc1[C@H]1CCC[N@@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886310344 1138066235 /nfs/dbraw/zinc/06/62/35/1138066235.db2.gz JWXBOGMCQZVIHG-HNNXBMFYSA-N 0 1 341.411 3.768 20 5 EHBDMN COc1ccccc1[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886310344 1138066237 /nfs/dbraw/zinc/06/62/37/1138066237.db2.gz JWXBOGMCQZVIHG-HNNXBMFYSA-N 0 1 341.411 3.768 20 5 EHBDMN C[C@H](NCc1ccc(OCC2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000131391835 1138514779 /nfs/dbraw/zinc/51/47/79/1138514779.db2.gz YGNNDRSILASFPD-ZDUSSCGKSA-N 0 1 327.384 3.629 20 5 EHBDMN COc1cc(CNCc2csc3ccccc23)c([N+](=O)[O-])cc1O ZINC000337879573 1138689370 /nfs/dbraw/zinc/68/93/70/1138689370.db2.gz SWTOONMSDWJCSO-UHFFFAOYSA-N 0 1 344.392 3.814 20 5 EHBDMN CCOc1ccc([C@@H](C)NCc2ccc(OC)cc2)cc1[N+](=O)[O-] ZINC000152521598 1139096530 /nfs/dbraw/zinc/09/65/30/1139096530.db2.gz RMDDDLCJDYHJDD-CYBMUJFWSA-N 0 1 330.384 3.853 20 5 EHBDMN COc1ccc(CNC(C)(C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000175987920 1139533062 /nfs/dbraw/zinc/53/30/62/1139533062.db2.gz JCRKOZXPYICMRC-UHFFFAOYSA-N 0 1 336.338 3.907 20 5 EHBDMN COC(=O)c1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)s1 ZINC000181842256 1139935709 /nfs/dbraw/zinc/93/57/09/1139935709.db2.gz WTQNUIARCLMNRJ-LLVKDONJSA-N 0 1 348.424 3.911 20 5 EHBDMN CC[C@@H](NCc1ccccc1OCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268846098 1141006844 /nfs/dbraw/zinc/00/68/44/1141006844.db2.gz OOCVEAWURFFMAP-GOSISDBHSA-N 0 1 344.411 3.861 20 5 EHBDMN CC(C)[N@@H+](Cc1ccsc1C(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000574458774 601809619 /nfs/dbraw/zinc/80/96/19/601809619.db2.gz VRNXQYZWYGLVAQ-UHFFFAOYSA-N 0 1 334.397 3.765 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)[O-])C1 ZINC000825638941 604040045 /nfs/dbraw/zinc/04/00/45/604040045.db2.gz PLJJHKACEAYZPQ-YCPHGPKFSA-N 0 1 347.415 3.510 20 5 EHBDMN C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)CC(=O)[O-] ZINC001334025616 961748460 /nfs/dbraw/zinc/74/84/60/961748460.db2.gz BMDPXUKWVGSUPS-UHFFFAOYSA-N 0 1 332.356 3.540 20 5 EHBDMN CC[N@@H+](CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000593755496 974987557 /nfs/dbraw/zinc/98/75/57/974987557.db2.gz LKCWNGIDYDOVBO-UHFFFAOYSA-N 0 1 349.431 3.750 20 5 EHBDMN C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1Cl)c1ccccc1[N+](=O)[O-] ZINC001599841787 988851473 /nfs/dbraw/zinc/85/14/73/988851473.db2.gz LUGYDBMXELGGFM-SNVBAGLBSA-N 0 1 334.759 3.797 20 5 EHBDMN C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598526164 992724426 /nfs/dbraw/zinc/72/44/26/992724426.db2.gz PJANUXRRDMKKCY-UHFFFAOYSA-N 0 1 334.759 3.578 20 5 EHBDMN C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598526164 992724430 /nfs/dbraw/zinc/72/44/30/992724430.db2.gz PJANUXRRDMKKCY-UHFFFAOYSA-N 0 1 334.759 3.578 20 5 EHBDMN Cc1ccc(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000609598531 1015789641 /nfs/dbraw/zinc/78/96/41/1015789641.db2.gz WOZZIDIQYKZBLE-UHFFFAOYSA-N 0 1 343.408 3.952 20 5 EHBDMN CC(C)[C@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000449223158 1032339805 /nfs/dbraw/zinc/33/98/05/1032339805.db2.gz JJFCNZVLJXUWHV-LRDDRELGSA-N 0 1 344.415 3.773 20 5 EHBDMN CCN(C[C@@H]1COc2ccccc2O1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000485189007 1032368420 /nfs/dbraw/zinc/36/84/20/1032368420.db2.gz FKGWQLJOKCEKOP-LSDHHAIUSA-N 0 1 342.395 3.818 20 5 EHBDMN CC(C)CCN(CCC(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000433678475 1019500320 /nfs/dbraw/zinc/50/03/20/1019500320.db2.gz GIHYJDZWKQVQDO-UHFFFAOYSA-N 0 1 338.452 3.976 20 5 EHBDMN Cc1c(CN2CCCN(c3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000513368520 1019589158 /nfs/dbraw/zinc/58/91/58/1019589158.db2.gz WJESYXOHHLOTIR-UHFFFAOYSA-N 0 1 343.402 3.755 20 5 EHBDMN Cc1ccc([C@@H](C)NCC(=O)N(CC(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000537175596 1019639490 /nfs/dbraw/zinc/63/94/90/1019639490.db2.gz RKNUOAYACXKCLH-MRXNPFEDSA-N 0 1 349.475 3.694 20 5 EHBDMN O=C(Nc1c(O)cccc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000579767756 1019806329 /nfs/dbraw/zinc/80/63/29/1019806329.db2.gz XSGSIPWHKLFSGV-UHFFFAOYSA-N 0 1 327.123 3.860 20 5 EHBDMN CCC[C@@H](NCc1cccc(C(=O)NC)c1)c1cccc([N+](=O)[O-])c1 ZINC000155879962 1020121722 /nfs/dbraw/zinc/12/17/22/1020121722.db2.gz FWOUGINPQJCPBO-GOSISDBHSA-N 0 1 341.411 3.585 20 5 EHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc3nccnc3c2)C2CC2)c1 ZINC000602441201 1032888968 /nfs/dbraw/zinc/88/89/68/1032888968.db2.gz VYHMPLBORWGZGU-UHFFFAOYSA-N 0 1 334.379 3.703 20 5 EHBDMN Cc1sc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1[N+](=O)[O-] ZINC000345588506 1020377382 /nfs/dbraw/zinc/37/73/82/1020377382.db2.gz NICAGKGNWXIMGT-UHFFFAOYSA-N 0 1 330.724 3.715 20 5 EHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000439255051 1021300958 /nfs/dbraw/zinc/30/09/58/1021300958.db2.gz FSBDQVXNNDQMTN-LJQANCHMSA-N 0 1 328.412 3.758 20 5 EHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@]12C[C@H]1COC21CCC1 ZINC000933384966 1021590646 /nfs/dbraw/zinc/59/06/46/1021590646.db2.gz FDOGBAGDCGBRHL-ZUZCIYMTSA-N 0 1 343.210 3.703 20 5 EHBDMN Cc1ccc(C(C)(C)CN(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506703208 1021779226 /nfs/dbraw/zinc/77/92/26/1021779226.db2.gz KUYUVQXUEZQANU-UHFFFAOYSA-N 0 1 342.395 3.659 20 5 EHBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C)cc1 ZINC000337613869 1021781146 /nfs/dbraw/zinc/78/11/46/1021781146.db2.gz AYKJVJXLVSILJG-OAHLLOKOSA-N 0 1 338.367 3.661 20 5 EHBDMN COc1ccc(CN2CCC(n3c(C)ccc3C)CC2)cc1[N+](=O)[O-] ZINC000337682444 1021860288 /nfs/dbraw/zinc/86/02/88/1021860288.db2.gz NWDKUSHHRPSJHV-UHFFFAOYSA-N 0 1 343.427 3.859 20 5 EHBDMN CC(C)O[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602701239 1033089970 /nfs/dbraw/zinc/08/99/70/1033089970.db2.gz ISVRDYQSWYVUBY-CYBMUJFWSA-N 0 1 332.322 3.613 20 5 EHBDMN CCOc1cc(CN[C@H](C)c2ccccc2OC)ccc1[N+](=O)[O-] ZINC000276854829 1023224000 /nfs/dbraw/zinc/22/40/00/1023224000.db2.gz FKPGVNHYLOUBFC-CYBMUJFWSA-N 0 1 330.384 3.853 20 5 EHBDMN Cc1ccc(CN2CC[C@H](O)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000602729740 1033118182 /nfs/dbraw/zinc/11/81/82/1033118182.db2.gz CAHQMEWWSUYBLG-PKOBYXMFSA-N 0 1 326.396 3.601 20 5 EHBDMN Cc1cc(Cc2noc([C@@H](C)N3[C@H](C)CC[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000276957892 1023476048 /nfs/dbraw/zinc/47/60/48/1023476048.db2.gz RLZMSMCAIJCYDB-HZSPNIEDSA-N 0 1 344.415 3.811 20 5 EHBDMN C[C@@H](Sc1nc(-c2cccnc2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000127409791 1023541925 /nfs/dbraw/zinc/54/19/25/1023541925.db2.gz DZDMOIFQFYUNFG-SNVBAGLBSA-N 0 1 327.369 3.628 20 5 EHBDMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000610930483 1023877309 /nfs/dbraw/zinc/87/73/09/1023877309.db2.gz SMUSNBJDDDJKOQ-MRXNPFEDSA-N 0 1 330.384 3.856 20 5 EHBDMN Cc1nc2ccc(NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2[nH]1 ZINC000346139861 1024440075 /nfs/dbraw/zinc/44/00/75/1024440075.db2.gz LREKXLJXJDQNCM-UHFFFAOYSA-N 0 1 330.731 3.685 20 5 EHBDMN CCOc1cccc(NC[C@@H](c2ccco2)N2CCCC2)c1[N+](=O)[O-] ZINC000346213329 1024504745 /nfs/dbraw/zinc/50/47/45/1024504745.db2.gz WPDDHEGIDCQJSE-HNNXBMFYSA-N 0 1 345.399 3.836 20 5 EHBDMN Cc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2[nH]1 ZINC000345446875 1024638124 /nfs/dbraw/zinc/63/81/24/1024638124.db2.gz ZQEIVQJGQIYUAJ-UHFFFAOYSA-N 0 1 347.334 3.580 20 5 EHBDMN COc1cc([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)ccn1 ZINC000342297947 1024764583 /nfs/dbraw/zinc/76/45/83/1024764583.db2.gz KJZNWLYNGGQFOH-CYBMUJFWSA-N 0 1 329.400 3.973 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccc4cccnc4n3)C2)cs1 ZINC000602888064 1033237323 /nfs/dbraw/zinc/23/73/23/1033237323.db2.gz OVOJCPROQNASFJ-CQSZACIVSA-N 0 1 340.408 3.589 20 5 EHBDMN CCc1ccc([C@H](NCC2(CCO)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000427976890 1024919596 /nfs/dbraw/zinc/91/95/96/1024919596.db2.gz KGOJCVWHIQXHOR-GOSISDBHSA-N 0 1 344.411 3.592 20 5 EHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000053221415 1024988410 /nfs/dbraw/zinc/98/84/10/1024988410.db2.gz HKXQARNNDUIZHN-LJQANCHMSA-N 0 1 326.396 3.776 20 5 EHBDMN CCN1C[C@@H](C)N(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1C ZINC000346782357 1025092970 /nfs/dbraw/zinc/09/29/70/1025092970.db2.gz YFRBDNSSSVLVKL-HZPDHXFCSA-N 0 1 347.462 3.943 20 5 EHBDMN Cc1ccnc([C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)c1 ZINC000521063259 1025193327 /nfs/dbraw/zinc/19/33/27/1025193327.db2.gz NTXOIVBDEVOQGU-CYBMUJFWSA-N 0 1 331.803 3.941 20 5 EHBDMN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000362032203 1025367857 /nfs/dbraw/zinc/36/78/57/1025367857.db2.gz JQOQBIAWEHCBQC-FZKQIMNGSA-N 0 1 339.395 3.743 20 5 EHBDMN CC[C@H](NCc1cccc(N2CCC2=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000442823365 1025501094 /nfs/dbraw/zinc/50/10/94/1025501094.db2.gz ZVRFLALWLRJAEJ-SFHVURJKSA-N 0 1 339.395 3.572 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nccn1Cc1ccccc1 ZINC000436476248 1025773125 /nfs/dbraw/zinc/77/31/25/1025773125.db2.gz SDQVPGPRVCZNCV-UHFFFAOYSA-N 0 1 341.392 3.838 20 5 EHBDMN Cc1c2ccccc2n(C)c1CNCc1ccc([N+](=O)[O-])cc1F ZINC000475197027 1026373640 /nfs/dbraw/zinc/37/36/40/1026373640.db2.gz MFJLVCWRPKJWQL-UHFFFAOYSA-N 0 1 327.359 3.824 20 5 EHBDMN COC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000452081438 1026480510 /nfs/dbraw/zinc/48/05/10/1026480510.db2.gz JWCIBXMJBKVDOW-HNNXBMFYSA-N 0 1 336.432 3.631 20 5 EHBDMN Cc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1Br ZINC000127873552 1026599075 /nfs/dbraw/zinc/59/90/75/1026599075.db2.gz AIYSMKYAYVLBKR-UHFFFAOYSA-N 0 1 335.201 3.956 20 5 EHBDMN CC(=O)c1cc(NCc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000342707104 1026780503 /nfs/dbraw/zinc/78/05/03/1026780503.db2.gz XOYKEJAADJVHID-UHFFFAOYSA-N 0 1 345.374 3.610 20 5 EHBDMN CCc1[nH]nc(C(=O)N(CC)C[C@@H](CC)c2ccccc2)c1[N+](=O)[O-] ZINC000186435372 1026888215 /nfs/dbraw/zinc/88/82/15/1026888215.db2.gz KABKUNYVIPDXQT-CYBMUJFWSA-N 0 1 344.415 3.536 20 5 EHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000178681922 1027871106 /nfs/dbraw/zinc/87/11/06/1027871106.db2.gz DMZTVNLMJGKQPM-CABCVRRESA-N 0 1 335.448 3.588 20 5 EHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](C4CCCC4)C3)n2)c1 ZINC000420960211 1027928334 /nfs/dbraw/zinc/92/83/34/1027928334.db2.gz GLPDDEAHNBPUQK-HNNXBMFYSA-N 0 1 342.399 3.657 20 5 EHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178687209 1027970187 /nfs/dbraw/zinc/97/01/87/1027970187.db2.gz JABCKJXFUBVLMC-STQMWFEESA-N 0 1 345.374 3.720 20 5 EHBDMN Cc1cccc([C@H]2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)c1 ZINC000444686840 1028134913 /nfs/dbraw/zinc/13/49/13/1028134913.db2.gz UGPUFONVAGBZJM-HNNXBMFYSA-N 0 1 336.395 3.769 20 5 EHBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2c2cccc(Cl)c2)n1 ZINC000444806581 1028279504 /nfs/dbraw/zinc/27/95/04/1028279504.db2.gz UXLYTBLWNUYVCD-HNNXBMFYSA-N 0 1 334.807 3.672 20 5 EHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000444876783 1028365879 /nfs/dbraw/zinc/36/58/79/1028365879.db2.gz SGHUVQDENCLCPJ-UHFFFAOYSA-N 0 1 339.399 3.800 20 5 EHBDMN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000162463721 1028831469 /nfs/dbraw/zinc/83/14/69/1028831469.db2.gz YNSOUXLKJDFRDA-HNNXBMFYSA-N 0 1 340.427 3.831 20 5 EHBDMN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2C[C@@]2(F)c2ccccc2)n1 ZINC000424333957 1028984240 /nfs/dbraw/zinc/98/42/40/1028984240.db2.gz YCQYQWIRDJHKLF-BVIKNXMNSA-N 0 1 344.390 3.502 20 5 EHBDMN CCCC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000524347510 1029096074 /nfs/dbraw/zinc/09/60/74/1029096074.db2.gz DCHUKJXRCLBQJG-SMDDNHRTSA-N 0 1 330.388 3.560 20 5 EHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC2(CCCC2)C1 ZINC000445864897 1029195413 /nfs/dbraw/zinc/19/54/13/1029195413.db2.gz ZVIDRGSUZDLUSB-AWEZNQCLSA-N 0 1 331.416 3.578 20 5 EHBDMN C[C@H](NCc1ccnc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453278941 1030020278 /nfs/dbraw/zinc/02/02/78/1030020278.db2.gz DEWCTZUURBAKHT-JTQLQIEISA-N 0 1 325.290 3.859 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C(F)F)cc1 ZINC000583804329 1030788832 /nfs/dbraw/zinc/78/88/32/1030788832.db2.gz CPZZYURSONJGRG-UHFFFAOYSA-N 0 1 342.323 3.642 20 5 EHBDMN Cc1cnccc1OC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000278532799 1031260058 /nfs/dbraw/zinc/26/00/58/1031260058.db2.gz FGYQXWMEDMVSDY-OAHLLOKOSA-N 0 1 341.411 3.903 20 5 EHBDMN Cc1nn(C)cc1[C@@H](C)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278597151 1031580794 /nfs/dbraw/zinc/58/07/94/1031580794.db2.gz AIWYYLKEJZULCT-DIFFPNOSSA-N 0 1 328.416 3.710 20 5 EHBDMN COC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000594969937 1033577120 /nfs/dbraw/zinc/57/71/20/1033577120.db2.gz UOGVBCCKHWTWQL-OTIVFRFGSA-N 0 1 342.395 3.594 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1)[C@@H](O)C(C)C ZINC000594991079 1033621102 /nfs/dbraw/zinc/62/11/02/1033621102.db2.gz ZHFWSYVYYRAZTL-OALUTQOASA-N 0 1 328.412 3.751 20 5 EHBDMN COc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)ccc1C ZINC000595008055 1033630866 /nfs/dbraw/zinc/63/08/66/1033630866.db2.gz OZKHZXRSPUFJTK-CYBMUJFWSA-N 0 1 330.384 3.771 20 5 EHBDMN CCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595007156 1033630964 /nfs/dbraw/zinc/63/09/64/1033630964.db2.gz KFJKEDAUUPPYMO-ZDUSSCGKSA-N 0 1 330.384 3.853 20 5 EHBDMN Cc1c([C@@H](C)NCc2c(C3CCC3)cnn2C)cccc1[N+](=O)[O-] ZINC000595100046 1033689837 /nfs/dbraw/zinc/68/98/37/1033689837.db2.gz TTXUYTDYSCRGMP-CYBMUJFWSA-N 0 1 328.416 3.755 20 5 EHBDMN CCOc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595102446 1033692457 /nfs/dbraw/zinc/69/24/57/1033692457.db2.gz IAGDEMLFJQFDGW-CKFHNAJUSA-N 0 1 344.411 3.766 20 5 EHBDMN CC(C)[C@H](O)[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000595094127 1033700527 /nfs/dbraw/zinc/70/05/27/1033700527.db2.gz DMXGPIYZBRUHFH-RLLQIKCJSA-N 0 1 340.423 3.930 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](n1cccn1)C(F)(F)F ZINC000599053932 1033706397 /nfs/dbraw/zinc/70/63/97/1033706397.db2.gz BAMDBHGJVIUABI-RISCZKNCSA-N 0 1 342.321 3.554 20 5 EHBDMN CCC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000599075096 1033716277 /nfs/dbraw/zinc/71/62/77/1033716277.db2.gz SRYRARNGRWQEQA-SJLPKXTDSA-N 0 1 339.395 3.589 20 5 EHBDMN Cc1noc(CN2CCC[C@@H](c3cc4ccccc4[nH]3)C2)c1[N+](=O)[O-] ZINC000595356401 1033781320 /nfs/dbraw/zinc/78/13/20/1033781320.db2.gz LZCUFSDEAHPHAH-CQSZACIVSA-N 0 1 340.383 3.752 20 5 EHBDMN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000595509002 1033836440 /nfs/dbraw/zinc/83/64/40/1033836440.db2.gz DRPYMXCBRWLUMM-MGPLVRAMSA-N 0 1 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ZINC000604012364 1034135819 /nfs/dbraw/zinc/13/58/19/1034135819.db2.gz IVTQMBPVALLDMG-UHFFFAOYSA-N 0 1 330.384 3.504 20 5 EHBDMN CCN(CC)Cc1ccc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000604266301 1034309613 /nfs/dbraw/zinc/30/96/13/1034309613.db2.gz YZXIUPIHXSNJRA-CYBMUJFWSA-N 0 1 345.399 3.521 20 5 EHBDMN CCCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000604550567 1034411998 /nfs/dbraw/zinc/41/19/98/1034411998.db2.gz AUEDHUSZQRONAQ-ZDUSSCGKSA-N 0 1 330.388 3.630 20 5 EHBDMN CCCn1nccc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000597136938 1034556790 /nfs/dbraw/zinc/55/67/90/1034556790.db2.gz CNYIDHGRZKQWAZ-MRXNPFEDSA-N 0 1 328.416 3.581 20 5 EHBDMN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc(C(F)F)c3)CC2)n1 ZINC000365313277 1035028220 /nfs/dbraw/zinc/02/82/20/1035028220.db2.gz BEKPMNRCKSYUDR-UHFFFAOYSA-N 0 1 336.342 3.566 20 5 EHBDMN O=[N+]([O-])c1ccccc1N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000078343386 1035531413 /nfs/dbraw/zinc/53/14/13/1035531413.db2.gz KHHZVRSKCZJJFL-UHFFFAOYSA-N 0 1 340.305 3.721 20 5 EHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](c1ccco1)N1CCCC1 ZINC000152026751 1035534412 /nfs/dbraw/zinc/53/44/12/1035534412.db2.gz CWDRZUGPMYBRTQ-INIZCTEOSA-N 0 1 349.818 3.768 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000588203883 1035821052 /nfs/dbraw/zinc/82/10/52/1035821052.db2.gz MQKPJKMNLNSHDR-SFHVURJKSA-N 0 1 327.384 3.596 20 5 EHBDMN Cc1nnsc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000492460293 1035843202 /nfs/dbraw/zinc/84/32/02/1035843202.db2.gz IQIWKVPOULUWEO-UHFFFAOYSA-N 0 1 346.437 3.773 20 5 EHBDMN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000582630727 1036063705 /nfs/dbraw/zinc/06/37/05/1036063705.db2.gz DNYIMVCWWHBMAJ-JSGCOSHPSA-N 0 1 346.818 3.891 20 5 EHBDMN CC(C)(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000054397279 1036364592 /nfs/dbraw/zinc/36/45/92/1036364592.db2.gz XUBLTDOAGQWPNA-KRWDZBQOSA-N 0 1 341.411 3.571 20 5 EHBDMN CCCC[N@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 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333.775 3.538 20 5 EHBDMN O=C(OCCCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000731300391 1130784024 /nfs/dbraw/zinc/78/40/24/1130784024.db2.gz ALQZIHSASZCPQC-UHFFFAOYSA-N 0 1 326.711 3.505 20 5 EHBDMN O=[N+]([O-])c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000731903259 1130860378 /nfs/dbraw/zinc/86/03/78/1130860378.db2.gz GGRYZHFNBKZPHK-UHFFFAOYSA-N 0 1 347.718 3.645 20 5 EHBDMN O=[N+]([O-])c1c(NCC2CN(Cc3ccccc3)C2)ccc2ncccc21 ZINC000716296651 1131498848 /nfs/dbraw/zinc/49/88/48/1131498848.db2.gz FVBPYBKUPUBUBP-UHFFFAOYSA-N 0 1 348.406 3.687 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H](C)C1CCCCC1 ZINC001175229303 1132601333 /nfs/dbraw/zinc/60/13/33/1132601333.db2.gz NXYRXZVCJYAISE-OAHLLOKOSA-N 0 1 347.459 3.990 20 5 EHBDMN Cc1cc(F)ccc1[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC001175991591 1132809127 /nfs/dbraw/zinc/80/91/27/1132809127.db2.gz GMGXTXFECAQKHM-CHWSQXEVSA-N 0 1 345.374 3.720 20 5 EHBDMN CC(=O)N1CC=C(Nc2ccc3cc4ccc(N)cc4nc3c2)CC1 ZINC001176036483 1132825278 /nfs/dbraw/zinc/82/52/78/1132825278.db2.gz VRXQCZSUGXZLLB-UHFFFAOYSA-N 0 1 332.407 3.518 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000785590490 1133724189 /nfs/dbraw/zinc/72/41/89/1133724189.db2.gz DFQXUMWEALFHJR-LLVKDONJSA-N 0 1 325.324 3.698 20 5 EHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CC[C@H](C2CC2)O1 ZINC001184056389 1133891466 /nfs/dbraw/zinc/89/14/66/1133891466.db2.gz POGKVHYCZSAZBK-GXTWGEPZSA-N 0 1 345.226 3.949 20 5 EHBDMN CC[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)N1CCCC1 ZINC001184820429 1133994900 /nfs/dbraw/zinc/99/49/00/1133994900.db2.gz JUCBNHYPZHXCRG-NSHDSACASA-N 0 1 342.237 3.644 20 5 EHBDMN CCOC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000789387486 1134261559 /nfs/dbraw/zinc/26/15/59/1134261559.db2.gz IAIQUTBNTVSVRS-UHFFFAOYSA-N 0 1 340.807 3.604 20 5 EHBDMN Cc1c(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC000790695282 1134453954 /nfs/dbraw/zinc/45/39/54/1134453954.db2.gz MHZMVTVIMVMKNL-CYBMUJFWSA-N 0 1 329.356 3.971 20 5 EHBDMN COc1ccc(C[C@@H](C)NCc2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC001170298301 1134738306 /nfs/dbraw/zinc/73/83/06/1134738306.db2.gz IPCYCVIPLWWGCD-LLVKDONJSA-N 0 1 336.338 3.602 20 5 EHBDMN C[C@]1(NCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCc2ccccc21 ZINC000792869812 1134804324 /nfs/dbraw/zinc/80/43/24/1134804324.db2.gz DSBJYJYMHKJTCJ-SFHVURJKSA-N 0 1 341.367 3.844 20 5 EHBDMN C[C@H](NCc1ccc(-c2ccccn2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC001197657265 1135717443 /nfs/dbraw/zinc/71/74/43/1135717443.db2.gz AKKAEGZMJUVZRO-AWEZNQCLSA-N 0 1 334.379 3.903 20 5 EHBDMN CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530497 1136279832 /nfs/dbraw/zinc/27/98/32/1136279832.db2.gz ZFAWPLCUODHMNX-BJOOFOGMSA-N 0 1 342.395 3.823 20 5 EHBDMN CCc1cccc2c1OCC[C@@H]2N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591286 1136616030 /nfs/dbraw/zinc/61/60/30/1136616030.db2.gz BZVHHWIDHYAFIU-PXAZEXFGSA-N 0 1 341.411 3.914 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@](F)(c2ccccc2F)C1 ZINC000338997581 1136797257 /nfs/dbraw/zinc/79/72/57/1136797257.db2.gz OXLNHLOJMSIUEK-QGZVFWFLSA-N 0 1 334.322 3.510 20 5 EHBDMN CCC(=O)c1ccc(O)c(NC(=O)C=Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000794622394 1137221293 /nfs/dbraw/zinc/22/12/93/1137221293.db2.gz HOWLIAOGYZQNLI-YHYXMXQVSA-N 0 1 340.335 3.545 20 5 EHBDMN CC(C)c1nc(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000865841936 1137316032 /nfs/dbraw/zinc/31/60/32/1137316032.db2.gz BMHCACBSGCTQRH-UHFFFAOYSA-N 0 1 330.175 3.755 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540196 1137363267 /nfs/dbraw/zinc/36/32/67/1137363267.db2.gz KTLWTKFSBJFCAI-ZDUSSCGKSA-N 0 1 329.356 3.971 20 5 EHBDMN Cc1nn[nH]c1C(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001147571125 1137409446 /nfs/dbraw/zinc/40/94/46/1137409446.db2.gz YJWLEIKTVMWDJV-UHFFFAOYSA-N 0 1 330.391 3.692 20 5 EHBDMN C[C@H](C[C@H](O)c1ccccc1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872042542 1137567290 /nfs/dbraw/zinc/56/72/90/1137567290.db2.gz BZSVAPIEGCCEGA-XNJGSVPQSA-N 0 1 332.375 3.897 20 5 EHBDMN O=[N+]([O-])c1ccccc1C[C@H](NCc1ncc(Cl)s1)C1CC1 ZINC000872115955 1137572210 /nfs/dbraw/zinc/57/22/10/1137572210.db2.gz NLFPYQMNBIHTRU-LBPRGKRZSA-N 0 1 337.832 3.816 20 5 EHBDMN COc1ccc2c(c1)OCC[C@H]2NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873060852 1137589231 /nfs/dbraw/zinc/58/92/31/1137589231.db2.gz CXKHFIJARAFIEO-QGZVFWFLSA-N 0 1 342.395 3.834 20 5 EHBDMN CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000877783877 1137689484 /nfs/dbraw/zinc/68/94/84/1137689484.db2.gz JIAWHZLGUSCPCL-AWEZNQCLSA-N 0 1 328.416 3.821 20 5 EHBDMN C[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878127043 1137703545 /nfs/dbraw/zinc/70/35/45/1137703545.db2.gz XFIXYFZREWFYDK-ZJUUUORDSA-N 0 1 336.779 3.529 20 5 EHBDMN C[C@@H]1C[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878127043 1137703546 /nfs/dbraw/zinc/70/35/46/1137703546.db2.gz XFIXYFZREWFYDK-ZJUUUORDSA-N 0 1 336.779 3.529 20 5 EHBDMN C[C@@H]1CC[C@H](C)N1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878188203 1137706287 /nfs/dbraw/zinc/70/62/87/1137706287.db2.gz MBQNFXHBVWSJNH-AOOOYVTPSA-N 0 1 336.779 3.671 20 5 EHBDMN Cn1cc(CN[C@@H](c2ccccc2)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000878327022 1137711143 /nfs/dbraw/zinc/71/11/43/1137711143.db2.gz XJANHTTVJIFZLQ-KRWDZBQOSA-N 0 1 328.416 3.740 20 5 EHBDMN COc1ccc(C2CC2)cc1CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883265788 1137851540 /nfs/dbraw/zinc/85/15/40/1137851540.db2.gz LABCRDZVAZAEMR-LBPRGKRZSA-N 0 1 341.411 3.914 20 5 EHBDMN O=[N+]([O-])c1ccc(CNC2(c3ccc(F)cc3F)CCOCC2)cc1 ZINC000089803237 1138205635 /nfs/dbraw/zinc/20/56/35/1138205635.db2.gz ATRHZROTONRADM-UHFFFAOYSA-N 0 1 348.349 3.669 20 5 EHBDMN COCc1ccc([C@H]2CCCN2CCOc2ccccc2[N+](=O)[O-])o1 ZINC000131347972 1138511951 /nfs/dbraw/zinc/51/19/51/1138511951.db2.gz VLKHPJUEGYATHL-OAHLLOKOSA-N 0 1 346.383 3.550 20 5 EHBDMN C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1Cl)c1nccs1 ZINC000184009912 1140074108 /nfs/dbraw/zinc/07/41/08/1140074108.db2.gz YDISQABVBKCBEH-SNVBAGLBSA-N 0 1 325.821 3.940 20 5 EHBDMN CC1(C)OCc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000186406394 1140202863 /nfs/dbraw/zinc/20/28/63/1140202863.db2.gz KPUZKKQIWICTCE-UHFFFAOYSA-N 0 1 328.368 3.530 20 5 EHBDMN COc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1)CCS2 ZINC000191528828 1140470486 /nfs/dbraw/zinc/47/04/86/1140470486.db2.gz RLCLROSRIWUAMD-INIZCTEOSA-N 0 1 330.409 3.930 20 5 EHBDMN CCC[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000269126624 1141069353 /nfs/dbraw/zinc/06/93/53/1141069353.db2.gz YSQKEXXWYNHPGQ-IPMKNSEASA-N 0 1 326.396 3.684 20 5 EHBDMN C[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1Cl ZINC000271844834 1141420769 /nfs/dbraw/zinc/42/07/69/1141420769.db2.gz WQJSHGWMRMFBFI-QFYYESIMSA-N 0 1 338.766 3.772 20 5 EHBDMN CC(C)(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283252594 1141579492 /nfs/dbraw/zinc/57/94/92/1141579492.db2.gz VLRSSXUGHHHZDH-UHFFFAOYSA-N 0 1 332.375 3.507 20 5 EHBDMN CC(C)[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000593734819 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DTSGLDSPVLBPST-KGLIPLIRSA-N 0 1 337.383 3.587 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc2[nH]ccc21 ZINC000430239314 1015182890 /nfs/dbraw/zinc/18/28/90/1015182890.db2.gz SFCWJUZKPXPLKM-UHFFFAOYSA-N 0 1 325.368 3.717 20 5 EHBDMN CCSc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000564471222 1017317562 /nfs/dbraw/zinc/31/75/62/1017317562.db2.gz REQMGYZMHRANQG-HNNXBMFYSA-N 0 1 329.425 3.879 20 5 EHBDMN O=[N+]([O-])c1ccc(N[C@@H](c2nnc[nH]2)c2ccccc2)c(Cl)c1 ZINC000376924038 1017200165 /nfs/dbraw/zinc/20/01/65/1017200165.db2.gz FAUKFYGUUQMZRA-CQSZACIVSA-N 0 1 329.747 3.568 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3C4CCCC3CCC4)o2)cc1 ZINC000610370100 1018541037 /nfs/dbraw/zinc/54/10/37/1018541037.db2.gz UQEWISUIWDCBKY-UHFFFAOYSA-N 0 1 328.372 3.552 20 5 EHBDMN COC(=O)c1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C(C)C ZINC000894192634 1019103956 /nfs/dbraw/zinc/10/39/56/1019103956.db2.gz HAMSXTAQVADYMU-LBPRGKRZSA-N 0 1 345.399 3.684 20 5 EHBDMN 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345.399 3.505 20 5 EHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)cc1 ZINC000195677476 1123734107 /nfs/dbraw/zinc/73/41/07/1123734107.db2.gz JMJKGSGGPJHSBF-UHFFFAOYSA-N 0 1 348.406 3.945 20 5 EHBDMN C[C@H](NCc1cnn(Cc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000079724006 1129289887 /nfs/dbraw/zinc/28/98/87/1129289887.db2.gz XDTOYDNLXYPBNS-HNNXBMFYSA-N 0 1 336.395 3.690 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000116280542 1129348893 /nfs/dbraw/zinc/34/88/93/1129348893.db2.gz LJMZDFLYAHHEHG-QGZVFWFLSA-N 0 1 346.814 3.730 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN(CCO)[C@@H]1CCc2ccccc21 ZINC000116280542 1129348895 /nfs/dbraw/zinc/34/88/95/1129348895.db2.gz LJMZDFLYAHHEHG-QGZVFWFLSA-N 0 1 346.814 3.730 20 5 EHBDMN CC[C@H]1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000117345600 1129434953 /nfs/dbraw/zinc/43/49/53/1129434953.db2.gz NDZJMPULANTXPX-ZDUSSCGKSA-N 0 1 330.388 3.657 20 5 EHBDMN CC(C)c1ccc(CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] 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C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(OC(F)F)c1 ZINC000339071883 1137276214 /nfs/dbraw/zinc/27/62/14/1137276214.db2.gz UNODKLIQRCWRNY-SNVBAGLBSA-N 0 1 338.310 3.753 20 5 EHBDMN Cc1ccnc([C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)c1 ZINC000846979774 1137381967 /nfs/dbraw/zinc/38/19/67/1137381967.db2.gz QQXVZXLDBLFXKX-ZDUSSCGKSA-N 0 1 331.803 3.941 20 5 EHBDMN CC[C@@H](N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC001171619741 1137500948 /nfs/dbraw/zinc/50/09/48/1137500948.db2.gz DFFWBIWYEWMNJC-SJKOYZFVSA-N 0 1 345.374 3.802 20 5 EHBDMN C[C@@H](NCc1ccc(F)c(CN(C)C)c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033037 1137566722 /nfs/dbraw/zinc/56/67/22/1137566722.db2.gz AYNNCZPWEFRYRL-GFCCVEGCSA-N 0 1 349.381 3.785 20 5 EHBDMN C[C@@H](NC[C@H](O)c1ccccc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872047157 1137567590 /nfs/dbraw/zinc/56/75/90/1137567590.db2.gz BUGFPBIJGPNMFO-BMIGLBTASA-N 0 1 338.766 3.772 20 5 EHBDMN C[C@H](NC[C@H](O)c1ccccc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872047158 1137567650 /nfs/dbraw/zinc/56/76/50/1137567650.db2.gz BUGFPBIJGPNMFO-BONVTDFDSA-N 0 1 338.766 3.772 20 5 EHBDMN C[C@@H](NCCSCC(F)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872054512 1137568307 /nfs/dbraw/zinc/56/83/07/1137568307.db2.gz XLBGWXYLVQUSMH-MRVPVSSYSA-N 0 1 326.315 3.680 20 5 EHBDMN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ncc(Cl)s1 ZINC000872112659 1137571860 /nfs/dbraw/zinc/57/18/60/1137571860.db2.gz KJYOGEKAMYWJBF-QMMMGPOBSA-N 0 1 329.784 3.565 20 5 EHBDMN CC(C)c1cc([C@@H]2CCCN(c3c(Cl)cncc3[N+](=O)[O-])C2)[nH]n1 ZINC000872647526 1137582386 /nfs/dbraw/zinc/58/23/86/1137582386.db2.gz GNBXETKCKMQUEB-LLVKDONJSA-N 0 1 349.822 3.874 20 5 EHBDMN COc1cc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)ccc1[N+](=O)[O-] ZINC000872649345 1137582582 /nfs/dbraw/zinc/58/25/82/1137582582.db2.gz YCHYXZFDYLZRJP-CYBMUJFWSA-N 0 1 344.415 3.834 20 5 EHBDMN COc1ccc2c(c1)OCC[C@@H]2NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873060850 1137589240 /nfs/dbraw/zinc/58/92/40/1137589240.db2.gz CXKHFIJARAFIEO-KRWDZBQOSA-N 0 1 342.395 3.834 20 5 EHBDMN CC[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000878114435 1137702869 /nfs/dbraw/zinc/70/28/69/1137702869.db2.gz XHQVBZPJCIPHBR-ZDUSSCGKSA-N 0 1 330.388 3.657 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CN2CCC3(CCC3)C2)o1 ZINC000878187512 1137706326 /nfs/dbraw/zinc/70/63/26/1137706326.db2.gz BSYPDKFBFVTCQC-UHFFFAOYSA-N 0 1 348.790 3.674 20 5 EHBDMN COc1ccccc1[C@@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000879731136 1137756920 /nfs/dbraw/zinc/75/69/20/1137756920.db2.gz IGGZMOORCVILPO-CQSZACIVSA-N 0 1 345.399 3.670 20 5 EHBDMN CC(C)Cc1nnc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000109739261 1137897037 /nfs/dbraw/zinc/89/70/37/1137897037.db2.gz DYHXCGVIXHHUKJ-UHFFFAOYSA-N 0 1 340.792 3.551 20 5 EHBDMN Cc1c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000332207124 1137935669 /nfs/dbraw/zinc/93/56/69/1137935669.db2.gz USXUTNBLZCAKHL-UHFFFAOYSA-N 0 1 332.381 3.801 20 5 EHBDMN Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000120910887 1137953519 /nfs/dbraw/zinc/95/35/19/1137953519.db2.gz HLIHLVNFQSVONP-CQSZACIVSA-N 0 1 345.418 3.955 20 5 EHBDMN Cc1nc(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[nH]c1C ZINC000884707891 1137969493 /nfs/dbraw/zinc/96/94/93/1137969493.db2.gz CQYCQDSVHJRVCD-UHFFFAOYSA-N 0 1 336.342 3.597 20 5 EHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000886049406 1138035084 /nfs/dbraw/zinc/03/50/84/1138035084.db2.gz LRNYSNMEYAGOEH-OAHLLOKOSA-N 0 1 336.395 3.851 20 5 EHBDMN CO[C@H](c1ccccc1Cl)[C@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886116917 1138048459 /nfs/dbraw/zinc/04/84/59/1138048459.db2.gz VLEWLHJSIRRXRH-NHYWBVRUSA-N 0 1 335.791 3.509 20 5 EHBDMN CC[C@@]1(C)CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000075998851 1138129601 /nfs/dbraw/zinc/12/96/01/1138129601.db2.gz XJQFUVYSWRDGGI-KRWDZBQOSA-N 0 1 330.388 3.657 20 5 EHBDMN CC[C@]1(C)CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000075998850 1138129720 /nfs/dbraw/zinc/12/97/20/1138129720.db2.gz XJQFUVYSWRDGGI-QGZVFWFLSA-N 0 1 330.388 3.657 20 5 EHBDMN CCOc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000089513289 1138200484 /nfs/dbraw/zinc/20/04/84/1138200484.db2.gz HEJREICNQOFVOL-LBPRGKRZSA-N 0 1 345.355 3.753 20 5 EHBDMN COCCOc1cc(C)ccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125265569 1138304791 /nfs/dbraw/zinc/30/47/91/1138304791.db2.gz AZKGXGMHJBXANZ-HNNXBMFYSA-N 0 1 344.411 3.779 20 5 EHBDMN CC[C@@H](C)[C@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000264152765 1138429800 /nfs/dbraw/zinc/42/98/00/1138429800.db2.gz HNJBYDJMKHLOFT-MNOVXSKESA-N 0 1 330.388 3.510 20 5 EHBDMN COc1cc(CN2CCC(C)=C(c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000338360062 1138854877 /nfs/dbraw/zinc/85/48/77/1138854877.db2.gz WETBWNIDPVCEBI-UHFFFAOYSA-N 0 1 328.368 3.876 20 5 EHBDMN Cc1ccccc1NC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181812832 1139932749 /nfs/dbraw/zinc/93/27/49/1139932749.db2.gz NYMYRYHMRAQXAE-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN COC(=O)c1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000181814099 1139933556 /nfs/dbraw/zinc/93/35/56/1139933556.db2.gz ZDVJKFSSXJUOQA-LBPRGKRZSA-N 0 1 346.358 3.680 20 5 EHBDMN CC(C)N(C)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000190794302 1140418152 /nfs/dbraw/zinc/41/81/52/1140418152.db2.gz VCNIEWSUOBJLCL-AWEZNQCLSA-N 0 1 328.416 3.685 20 5 EHBDMN CCc1nn(C)c(CC)c1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193049964 1140562234 /nfs/dbraw/zinc/56/22/34/1140562234.db2.gz SBXFUNHJZHNDEA-GOSISDBHSA-N 0 1 342.443 3.620 20 5 EHBDMN CO[C@@H](C)c1nc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])cs1 ZINC000269125279 1141069234 /nfs/dbraw/zinc/06/92/34/1141069234.db2.gz YINIHRZEEZQEFJ-STQMWFEESA-N 0 1 349.456 3.870 20 5 EHBDMN CCc1ccc([C@@H]2CCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269505235 1141116458 /nfs/dbraw/zinc/11/64/58/1141116458.db2.gz NSXMPQSDJWHQLY-LBPRGKRZSA-N 0 1 346.387 3.574 20 5 EHBDMN CC[C@H](Cc1ccccc1)N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269531915 1141118864 /nfs/dbraw/zinc/11/88/64/1141118864.db2.gz SOBCWQIGAZDNBW-CQSZACIVSA-N 0 1 344.415 3.535 20 5 EHBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccnc(OC)c2)cc1[N+](=O)[O-] ZINC000348677037 1141565889 /nfs/dbraw/zinc/56/58/89/1141565889.db2.gz DXPHLDMAWUZCQV-CHWSQXEVSA-N 0 1 345.399 3.809 20 5 EHBDMN COCCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)Cc1cccnc1 ZINC000349005712 1141620904 /nfs/dbraw/zinc/62/09/04/1141620904.db2.gz LAIDCCRBEXSYQB-LFIBNONCSA-N 0 1 341.411 3.542 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN1CCC(OCc2ccccc2)CC1 ZINC000073106562 216350616 /nfs/dbraw/zinc/35/06/16/216350616.db2.gz VFCQWSNYLMHUBW-UHFFFAOYSA-N 0 1 326.396 3.776 20 5 EHBDMN O=C([O-])[C@@H](c1ccsc1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000515500585 974299978 /nfs/dbraw/zinc/29/99/78/974299978.db2.gz MHTRXQJJUIRUMK-CZUORRHYSA-N 0 1 346.408 3.662 20 5 EHBDMN O=C([O-])[C@H](c1ccccc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000519183421 974327709 /nfs/dbraw/zinc/32/77/09/974327709.db2.gz QFVHBMGQDOADNF-WMZOPIPTSA-N 0 1 340.379 3.600 20 5 EHBDMN CC(C)c1ccc(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)cc1[N+](=O)[O-] ZINC000566239518 974599620 /nfs/dbraw/zinc/59/96/20/974599620.db2.gz TZBAVGSLSOTNAX-JTQLQIEISA-N 0 1 349.412 3.724 20 5 EHBDMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738813 974985443 /nfs/dbraw/zinc/98/54/43/974985443.db2.gz ZHRQKTAXFAVXIS-SUMWQHHRSA-N 0 1 340.379 3.671 20 5 EHBDMN C[C@@H](C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1)C(=O)[O-] ZINC000901995008 980674768 /nfs/dbraw/zinc/67/47/68/980674768.db2.gz WRKKQXLKASKSQV-LBPRGKRZSA-N 0 1 344.367 3.540 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](COc2ccccc2)C1 ZINC000430197055 1014830242 /nfs/dbraw/zinc/83/02/42/1014830242.db2.gz TZHMJCWARIIYSC-HNNXBMFYSA-N 0 1 342.395 3.504 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(OCC2CCCC2)CC1 ZINC000430199665 1014845131 /nfs/dbraw/zinc/84/51/31/1014845131.db2.gz DDAQRVMNOCDXLR-UHFFFAOYSA-N 0 1 348.443 3.775 20 5 EHBDMN O=[N+]([O-])c1cc(Nc2ccccc2-c2nc(CO)cs2)ccc1O ZINC001210399385 1017955904 /nfs/dbraw/zinc/95/59/04/1017955904.db2.gz RXRRDQFHUMNPFS-UHFFFAOYSA-N 0 1 343.364 3.660 20 5 EHBDMN CC[C@H](N[C@H](CCO)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000592402540 1032797384 /nfs/dbraw/zinc/79/73/84/1032797384.db2.gz IRKFUDHFAMXJIB-ZWKOTPCHSA-N 0 1 332.375 3.898 20 5 EHBDMN C[C@H](N[C@H](Cn1cccn1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000610422093 1019030394 /nfs/dbraw/zinc/03/03/94/1019030394.db2.gz YRUHTUPVMLEHFU-HNAYVOBHSA-N 0 1 336.395 3.883 20 5 EHBDMN CN(C(=O)CN1CCC[C@H](C(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001167405763 1019425119 /nfs/dbraw/zinc/42/51/19/1019425119.db2.gz JYBFXFOQKMKBMZ-HNNXBMFYSA-N 0 1 347.459 3.706 20 5 EHBDMN O=C(C[C@H]1CCCN1Cc1cc(O)ccc1[N+](=O)[O-])c1cccs1 ZINC000091889666 1032856405 /nfs/dbraw/zinc/85/64/05/1032856405.db2.gz HJCHQIVNNUOIQS-CYBMUJFWSA-N 0 1 346.408 3.599 20 5 EHBDMN COc1ccc2c(c1)[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)CCO2 ZINC000341562559 1022343919 /nfs/dbraw/zinc/34/39/19/1022343919.db2.gz JFBNDHPBQCUNET-MRXNPFEDSA-N 0 1 328.368 3.525 20 5 EHBDMN O=C(NC1(c2ccc(F)cc2)CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000476230928 1033068648 /nfs/dbraw/zinc/06/86/48/1033068648.db2.gz LDVQFOTUXWTZMW-UHFFFAOYSA-N 0 1 344.342 3.639 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCCO[C@H]1CCCC[C@@H]1C ZINC000509585640 1023092802 /nfs/dbraw/zinc/09/28/02/1023092802.db2.gz KLDMDWKBFHKNNP-YOEHRIQHSA-N 0 1 336.432 3.678 20 5 EHBDMN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000310201109 1023103894 /nfs/dbraw/zinc/10/38/94/1023103894.db2.gz SIMCCXTVQDBFQW-CYBMUJFWSA-N 0 1 333.338 3.559 20 5 EHBDMN CC(C)OCCOC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000449726924 1033117125 /nfs/dbraw/zinc/11/71/25/1033117125.db2.gz MVBUDVSEJFSYLW-FNORWQNLSA-N 0 1 348.443 3.514 20 5 EHBDMN Cc1ccc(CN2CC[C@@H](O)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000602729738 1033117359 /nfs/dbraw/zinc/11/73/59/1033117359.db2.gz CAHQMEWWSUYBLG-MJGOQNOKSA-N 0 1 326.396 3.601 20 5 EHBDMN CCOc1cc(CN(C)[C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276872536 1023270997 /nfs/dbraw/zinc/27/09/97/1023270997.db2.gz HRCDZQIRSLRSLG-KRWDZBQOSA-N 0 1 344.411 3.549 20 5 EHBDMN Cc1oc2ccccc2c1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602731501 1033120808 /nfs/dbraw/zinc/12/08/08/1033120808.db2.gz KYIIVWWXPNDUIR-IBGZPJMESA-N 0 1 340.379 3.647 20 5 EHBDMN CCOc1cc(C[N@@H+](C)C[C@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000276938792 1023426491 /nfs/dbraw/zinc/42/64/91/1023426491.db2.gz RXPZCEVYVUWWIA-LBPRGKRZSA-N 0 1 335.429 3.686 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc(F)cc1)C1CCOCC1 ZINC000277100781 1023763162 /nfs/dbraw/zinc/76/31/62/1023763162.db2.gz VELJVULTMBXKHZ-UHFFFAOYSA-N 0 1 344.386 3.915 20 5 EHBDMN COc1cccc([C@H]2C[C@H]([N@@H+](C)Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000449755316 1033174842 /nfs/dbraw/zinc/17/48/42/1033174842.db2.gz MOINECUPPSSIHE-KOMQPUFPSA-N 0 1 342.395 3.687 20 5 EHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2cccs2)C2(CO)CCC2)cc1 ZINC000449764585 1033177510 /nfs/dbraw/zinc/17/75/10/1033177510.db2.gz CGPHVRUUAKDWPI-MRXNPFEDSA-N 0 1 332.425 3.650 20 5 EHBDMN CO[C@@H](CN1CCc2ccc([N+](=O)[O-])cc2C1)c1ccc(Cl)cc1 ZINC000514078274 1024108599 /nfs/dbraw/zinc/10/85/99/1024108599.db2.gz IRMHRCOOWJIESN-SFHVURJKSA-N 0 1 346.814 3.994 20 5 EHBDMN COc1ccc2nc(SCc3ccc(OC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000515288021 1025142086 /nfs/dbraw/zinc/14/20/86/1025142086.db2.gz HMHJRBXFNHFLSE-UHFFFAOYSA-N 0 1 345.380 3.781 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nnc(-c2ccccc2)o1 ZINC000436473895 1025767029 /nfs/dbraw/zinc/76/70/29/1025767029.db2.gz IXJORRGGSNSTHT-UHFFFAOYSA-N 0 1 329.337 3.643 20 5 EHBDMN CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)[C@@H]1CCC(C)(C)C1 ZINC000451563051 1026115392 /nfs/dbraw/zinc/11/53/92/1026115392.db2.gz GDQQMPMPZXASJY-CQSZACIVSA-N 0 1 342.399 3.636 20 5 EHBDMN CCN(Cc1csc([N+](=O)[O-])c1)[C@H](COC)Cc1ccccc1 ZINC000531105060 1026572254 /nfs/dbraw/zinc/57/22/54/1026572254.db2.gz KUZVLGIOOKZOHT-INIZCTEOSA-N 0 1 334.441 3.736 20 5 EHBDMN COc1cc(CNCc2cccc(C(C)C)c2)c([N+](=O)[O-])cc1O ZINC000479405271 1026622538 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CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC(C)(C)C1 ZINC000412036487 1037564523 /nfs/dbraw/zinc/56/45/23/1037564523.db2.gz MJDIAHLUTVFOEJ-UHFFFAOYSA-N 0 1 330.388 3.655 20 5 EHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCOc2c(F)cccc21 ZINC000573576704 1037619910 /nfs/dbraw/zinc/61/99/10/1037619910.db2.gz MNTBXMBAMVWNGJ-CVEARBPZSA-N 0 1 328.343 3.835 20 5 EHBDMN CCc1ccc([C@H](N[C@@H](CC)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475097 1037890154 /nfs/dbraw/zinc/89/01/54/1037890154.db2.gz PVAGFZCISSCSPP-KBXCAEBGSA-N 0 1 332.400 3.590 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](CC(C)C)c1ccncc1 ZINC000592387603 1037954790 /nfs/dbraw/zinc/95/47/90/1037954790.db2.gz WSRSHDBRNCYZMX-QGZVFWFLSA-N 0 1 329.400 3.875 20 5 EHBDMN COc1cc(CN2CCC[C@H]2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000123655322 1038052573 /nfs/dbraw/zinc/05/25/73/1038052573.db2.gz ZRTHQOKLWVRXEZ-INIZCTEOSA-N 0 1 342.395 3.949 20 5 EHBDMN Cc1ccc(CN2CCC[C@H](Nc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000538751732 1038515601 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ZINC000491087489 1040910641 /nfs/dbraw/zinc/91/06/41/1040910641.db2.gz JGZDQTNELPJMQD-ZDUSSCGKSA-N 0 1 332.375 3.806 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CNC/C=C\c1ccc(F)c(F)c1 ZINC000511942002 1042466147 /nfs/dbraw/zinc/46/61/47/1042466147.db2.gz KEDURZAHCHYIRL-IHWYPQMZSA-N 0 1 334.322 3.685 20 5 EHBDMN CC[C@@](C)(NCCOc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000072863310 1042633238 /nfs/dbraw/zinc/63/32/38/1042633238.db2.gz NGULZSAGRSNRQD-MRXNPFEDSA-N 0 1 335.429 3.654 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000014929919 1042656510 /nfs/dbraw/zinc/65/65/10/1042656510.db2.gz SCMZBBKALMQFLX-KRWDZBQOSA-N 0 1 340.379 3.703 20 5 EHBDMN COCCOc1cc(C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167617099 1043314118 /nfs/dbraw/zinc/31/41/18/1043314118.db2.gz RJRSUDZSCXWERX-OAHLLOKOSA-N 0 1 344.411 3.779 20 5 EHBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[nH]n1 ZINC000090113295 1043649184 /nfs/dbraw/zinc/64/91/84/1043649184.db2.gz LOESYNSROCEJCR-GFCCVEGCSA-N 0 1 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C[C@@H]1CCC[C@@H](CN[C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000552250956 1127726701 /nfs/dbraw/zinc/72/67/01/1127726701.db2.gz HARGJSLVBGHGQN-RKVPGOIHSA-N 0 1 342.443 3.834 20 5 EHBDMN CCOc1ccc([C@@H](C)NCc2cc(F)cc(OC)c2)cc1[N+](=O)[O-] ZINC000090972199 1128419300 /nfs/dbraw/zinc/41/93/00/1128419300.db2.gz OYEXFGBRMLUZOX-GFCCVEGCSA-N 0 1 348.374 3.992 20 5 EHBDMN O=[N+]([O-])c1ccc(OC2CCN(C/C=C/c3ccncc3)CC2)cc1 ZINC000494948281 1120909922 /nfs/dbraw/zinc/90/99/22/1120909922.db2.gz BTBPEFGYBBJPCR-OWOJBTEDSA-N 0 1 339.395 3.546 20 5 EHBDMN CC(C)c1nc([C@@H](C)Nc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000762571638 1121359245 /nfs/dbraw/zinc/35/92/45/1121359245.db2.gz WLLILAUABZGXEX-MRVPVSSYSA-N 0 1 332.389 3.619 20 5 EHBDMN O=C(CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)Nc1ccccc1 ZINC000153314545 1121665790 /nfs/dbraw/zinc/66/57/90/1121665790.db2.gz AHBXGHNEAPFHML-UHFFFAOYSA-N 0 1 339.395 3.588 20 5 EHBDMN CCc1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000195433620 1123434588 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EHBDMN COC(C)(C)[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000922581713 1129581407 /nfs/dbraw/zinc/58/14/07/1129581407.db2.gz PXXJOOGKHRNDOE-NSHDSACASA-N 0 1 335.429 3.621 20 5 EHBDMN Cc1cc(NCc2ccc3c(c2)OCO3)c2cc([N+](=O)[O-])ccc2n1 ZINC000302208693 1129773207 /nfs/dbraw/zinc/77/32/07/1129773207.db2.gz XVRLXOQBEBBQDR-UHFFFAOYSA-N 0 1 337.335 3.792 20 5 EHBDMN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505737258 1129946437 /nfs/dbraw/zinc/94/64/37/1129946437.db2.gz WICHVRZQIMPBNB-INIZCTEOSA-N 0 1 346.770 3.835 20 5 EHBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1 ZINC001128729430 1130105563 /nfs/dbraw/zinc/10/55/63/1130105563.db2.gz CXMSGPSVSDVJEH-FSPWUOQZSA-N 0 1 341.363 3.535 20 5 EHBDMN Cc1cccc(C(C)(C)NCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 ZINC000172474813 1130137874 /nfs/dbraw/zinc/13/78/74/1130137874.db2.gz WPJGRBGISXFJSZ-UHFFFAOYSA-N 0 1 342.395 3.795 20 5 EHBDMN CC[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000173458237 1130233813 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O=[N+]([O-])c1c(NCCN2CCc3ccccc3C2)ccc2ncccc21 ZINC000195664938 1123712094 /nfs/dbraw/zinc/71/20/94/1123712094.db2.gz JYSQOBLYYZXWHN-UHFFFAOYSA-N 0 1 348.406 3.613 20 5 EHBDMN COc1cc2c(cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1)O[C@@H](C)C2 ZINC000069752209 1125036926 /nfs/dbraw/zinc/03/69/26/1125036926.db2.gz XZLKKCYSQYRWDF-STQMWFEESA-N 0 1 342.395 3.778 20 5 EHBDMN COc1cc(NC[C@H](c2ccco2)N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000301870807 1129251562 /nfs/dbraw/zinc/25/15/62/1129251562.db2.gz PILKGGZUGNXPIW-OAHLLOKOSA-N 0 1 349.362 3.585 20 5 EHBDMN C[C@H](O)C[C@@H]1CCCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000388884140 1129547620 /nfs/dbraw/zinc/54/76/20/1129547620.db2.gz RAWDOSCMDNCLJR-WFASDCNBSA-N 0 1 326.824 3.764 20 5 EHBDMN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000331126270 1129653872 /nfs/dbraw/zinc/65/38/72/1129653872.db2.gz DKBXEUMSZFOFON-SNUQEOBHSA-N 0 1 340.379 3.707 20 5 EHBDMN C[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCCCO1 ZINC000922816732 1129679756 /nfs/dbraw/zinc/67/97/56/1129679756.db2.gz KJXRZKVKTXFDOK-QGZVFWFLSA-N 0 1 347.440 3.767 20 5 EHBDMN COc1ccc(Cl)cc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338882156 1129683357 /nfs/dbraw/zinc/68/33/57/1129683357.db2.gz XPBGGPOTKDYTHV-UHFFFAOYSA-N 0 1 336.775 3.594 20 5 EHBDMN Cc1cc(N(C)CCc2nccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302103588 1129768275 /nfs/dbraw/zinc/76/82/75/1129768275.db2.gz WCKRKVATSXJPJG-UHFFFAOYSA-N 0 1 328.397 3.587 20 5 EHBDMN CCN(C(=O)[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000056196836 1129805804 /nfs/dbraw/zinc/80/58/04/1129805804.db2.gz VJEGJRHJRRZYOX-HUUCEWRRSA-N 0 1 341.411 3.687 20 5 EHBDMN Cc1ccc(NC(=O)[C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000056196535 1129805852 /nfs/dbraw/zinc/80/58/52/1129805852.db2.gz SFRHNZAVTFYKIL-OLZOCXBDSA-N 0 1 345.374 3.720 20 5 EHBDMN Cn1cc2c(n1)CCC[C@H]2N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282480952 1129927966 /nfs/dbraw/zinc/92/79/66/1129927966.db2.gz QEQNPZGYILVDSL-SJLPKXTDSA-N 0 1 340.427 3.718 20 5 EHBDMN Cc1ncc2c(n1)CCC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000766046225 1129940204 /nfs/dbraw/zinc/94/02/04/1129940204.db2.gz WQGBMMOFDUYDOM-MLGOLLRUSA-N 0 1 326.400 3.730 20 5 EHBDMN CCCO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000175217175 1130413757 /nfs/dbraw/zinc/41/37/57/1130413757.db2.gz KSCUSPMUNBALIF-KRWDZBQOSA-N 0 1 336.432 3.775 20 5 EHBDMN O=[N+]([O-])c1ccc(F)cc1CNC1(c2ccccc2)CCOCC1 ZINC000733998889 1131184482 /nfs/dbraw/zinc/18/44/82/1131184482.db2.gz FGAWMCAZLTWXMP-UHFFFAOYSA-N 0 1 330.359 3.529 20 5 EHBDMN Cc1ccc([C@@H](O)CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)o1 ZINC000741260329 1131591191 /nfs/dbraw/zinc/59/11/91/1131591191.db2.gz HDJWVBPLUHWRGS-INIZCTEOSA-N 0 1 342.351 3.579 20 5 EHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(=O)[C@@H](C)C12CCCC2 ZINC001173232497 1132010179 /nfs/dbraw/zinc/01/01/79/1132010179.db2.gz BSOOPMRUTNGUSX-LSDHHAIUSA-N 0 1 330.428 3.750 20 5 EHBDMN NCc1nnnn1-c1c2ccccc2cc2c3ccccc3ccc21 ZINC001168924627 1132606247 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CC1(C)CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC(C)(C)C1 ZINC000767516142 1133011248 /nfs/dbraw/zinc/01/12/48/1133011248.db2.gz OBNACLAVIYQESL-UHFFFAOYSA-N 0 1 343.431 3.569 20 5 EHBDMN CCCCC[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767761888 1133048958 /nfs/dbraw/zinc/04/89/58/1133048958.db2.gz LDDBUQJSKMDJJR-MRXNPFEDSA-N 0 1 343.431 3.856 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCN(C)c2ccccc2C1 ZINC001180212659 1133344823 /nfs/dbraw/zinc/34/48/23/1133344823.db2.gz DVZQCVPIKRRLFO-UHFFFAOYSA-N 0 1 325.412 3.664 20 5 EHBDMN O=C(Nc1ccccc1SC(F)F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000770400830 1133423281 /nfs/dbraw/zinc/42/32/81/1133423281.db2.gz QGDBAVSTWAUKQQ-UHFFFAOYSA-N 0 1 340.307 3.867 20 5 EHBDMN C[C@@H]1CSCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001181444478 1133487869 /nfs/dbraw/zinc/48/78/69/1133487869.db2.gz ALPBRXDQWYJMIO-JTQLQIEISA-N 0 1 334.363 3.799 20 5 EHBDMN Cc1cc2cn[nH]c2c(C(=O)Nc2nccc3cc([N+](=O)[O-])ccc32)c1 ZINC001183834423 1133861834 /nfs/dbraw/zinc/86/18/34/1133861834.db2.gz BDLOGVORYCNUIR-UHFFFAOYSA-N 0 1 347.334 3.580 20 5 EHBDMN CCO[C@H]1C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C12CCCCC2 ZINC001194092430 1135231573 /nfs/dbraw/zinc/23/15/73/1135231573.db2.gz OZJZPMZDXYNHMU-SJORKVTESA-N 0 1 336.407 3.951 20 5 EHBDMN Cc1c(CN2CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC001195495921 1135433898 /nfs/dbraw/zinc/43/38/98/1135433898.db2.gz AZTAXIBMQFYEQG-CJNGLKHVSA-N 0 1 348.443 3.703 20 5 EHBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC001197639455 1135722142 /nfs/dbraw/zinc/72/21/42/1135722142.db2.gz QAIKAGYXHPYBHC-ZDUSSCGKSA-N 0 1 348.349 3.741 20 5 EHBDMN CC(C)(O)CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000809982443 1135908777 /nfs/dbraw/zinc/90/87/77/1135908777.db2.gz RFMYQAMJMXXVHM-UHFFFAOYSA-N 0 1 333.215 3.637 20 5 EHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)C1=CC=CC1 ZINC001199693997 1135924200 /nfs/dbraw/zinc/92/42/00/1135924200.db2.gz GCHOVMUZPYSXAC-UHFFFAOYSA-N 0 1 345.402 3.781 20 5 EHBDMN CC(C)(C)C[C@@H](O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811480004 1136097322 /nfs/dbraw/zinc/09/73/22/1136097322.db2.gz PUCMUOFKTVWYGQ-LLVKDONJSA-N 0 1 335.231 3.788 20 5 EHBDMN CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339006044 1136897734 /nfs/dbraw/zinc/89/77/34/1136897734.db2.gz PHISNRCTYBFKFR-SFHVURJKSA-N 0 1 341.411 3.704 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000120234850 1137245474 /nfs/dbraw/zinc/24/54/74/1137245474.db2.gz SKKHULZGXIPSKL-CYBMUJFWSA-N 0 1 328.368 3.525 20 5 EHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846109298 1137333292 /nfs/dbraw/zinc/33/32/92/1137333292.db2.gz UMMAQHNLAIFJRI-AWEZNQCLSA-N 0 1 348.296 3.817 20 5 EHBDMN C[C@H](CSc1ccccc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001145081699 1137384175 /nfs/dbraw/zinc/38/41/75/1137384175.db2.gz HDYPBWDXLQOKKF-GFCCVEGCSA-N 0 1 346.408 3.553 20 5 EHBDMN C[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019550 1137564849 /nfs/dbraw/zinc/56/48/49/1137564849.db2.gz WSBBIQQDKAHOTF-BONVTDFDSA-N 0 1 338.766 3.772 20 5 EHBDMN C[C@H](c1ccccc1)[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872045533 1137567517 /nfs/dbraw/zinc/56/75/17/1137567517.db2.gz NXLXXVWJPRQEOX-WWGRRREGSA-N 0 1 332.375 3.549 20 5 EHBDMN C[C@H](N[C@@H]1CC[C@H]2SCCS[C@H]12)c1c(F)cccc1[N+](=O)[O-] ZINC000872051180 1137568017 /nfs/dbraw/zinc/56/80/17/1137568017.db2.gz IGGJNRZVGWKIKO-AGNJHWRGSA-N 0 1 342.461 3.764 20 5 EHBDMN C[C@H](NCC1([C@H](O)c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052593 1137568207 /nfs/dbraw/zinc/56/82/07/1137568207.db2.gz PJFCIJCSPRBKJE-SCLBCKFNSA-N 0 1 344.386 3.898 20 5 EHBDMN COc1cccc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1[N+](=O)[O-] ZINC000872647400 1137582342 /nfs/dbraw/zinc/58/23/42/1137582342.db2.gz FSLJUYFEPQJHBB-CYBMUJFWSA-N 0 1 344.415 3.834 20 5 EHBDMN COc1ccc2c(c1)OCC[C@@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000873061736 1137589245 /nfs/dbraw/zinc/58/92/45/1137589245.db2.gz LBAWTASMTFUMNS-INIZCTEOSA-N 0 1 328.368 3.525 20 5 EHBDMN CCCCN(CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877908362 1137695165 /nfs/dbraw/zinc/69/51/65/1137695165.db2.gz SRPCMTQQIVERQU-UHFFFAOYSA-N 0 1 338.795 3.920 20 5 EHBDMN COC(=O)c1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000878659359 1137724027 /nfs/dbraw/zinc/72/40/27/1137724027.db2.gz BGCFQIPSOVERTR-ZDUSSCGKSA-N 0 1 328.368 3.541 20 5 EHBDMN CC(C)(C)C[C@@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878693650 1137725448 /nfs/dbraw/zinc/72/54/48/1137725448.db2.gz XKTYZLHFFWPAHT-ZDUSSCGKSA-N 0 1 344.415 3.903 20 5 EHBDMN C/C=C\C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000879066652 1137736861 /nfs/dbraw/zinc/73/68/61/1137736861.db2.gz QMBGXUOBVWUHQV-SFAKSCPVSA-N 0 1 342.399 3.823 20 5 EHBDMN CCc1ccc([C@@H](N[C@H]2C[C@@H](COC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000883319497 1137854639 /nfs/dbraw/zinc/85/46/39/1137854639.db2.gz DQULFWFLSGWRFJ-OHNRDTAOSA-N 0 1 344.411 3.854 20 5 EHBDMN CC[C@@H](N[C@H](CCO)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 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GHGBXGWLYWWOCV-VXGBXAGGSA-N 0 1 347.419 3.647 20 5 EHBDMN CCC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271512409 1141385179 /nfs/dbraw/zinc/38/51/79/1141385179.db2.gz STPOZRGGFBOENV-MSOLQXFVSA-N 0 1 332.375 3.898 20 5 EHBDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414677413 973948855 /nfs/dbraw/zinc/94/88/55/973948855.db2.gz ILSGZEAHGYCBIU-LBPRGKRZSA-N 0 1 332.356 3.540 20 5 EHBDMN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740704 974985263 /nfs/dbraw/zinc/98/52/63/974985263.db2.gz BLSYQPZEOYRWSK-AWEZNQCLSA-N 0 1 342.395 3.664 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000595279690 974994335 /nfs/dbraw/zinc/99/43/35/974994335.db2.gz XCJUAHXKTJZWFB-INIZCTEOSA-N 0 1 332.400 3.838 20 5 EHBDMN CC(C)C[C@H](N)c1noc(-c2cc3cc([N+](=O)[O-])ccc3s2)n1 ZINC000339389572 1014323625 /nfs/dbraw/zinc/32/36/25/1014323625.db2.gz HAPKDJFQSOAJIH-NSHDSACASA-N 0 1 332.385 3.905 20 5 EHBDMN 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CC[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(C)cc1 ZINC000337613867 1021781485 /nfs/dbraw/zinc/78/14/85/1021781485.db2.gz AYKJVJXLVSILJG-HNNXBMFYSA-N 0 1 338.367 3.661 20 5 EHBDMN N=C(N)N(c1ccc(F)cc1)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167992548 1022312468 /nfs/dbraw/zinc/31/24/68/1022312468.db2.gz QBIKQEJMIBCENU-UHFFFAOYSA-N 0 1 342.252 3.784 20 5 EHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccnn3C3CCC3)C2)cc1 ZINC000894719945 1022790202 /nfs/dbraw/zinc/79/02/02/1022790202.db2.gz QYVIVXNNYSPANS-INIZCTEOSA-N 0 1 340.427 3.896 20 5 EHBDMN Cc1nc([C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)n[nH]1 ZINC000894771405 1022867756 /nfs/dbraw/zinc/86/77/56/1022867756.db2.gz HXVAOQBLNKLVRN-JTQLQIEISA-N 0 1 343.412 3.601 20 5 EHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCO[C@@H]1CCCCO1 ZINC000894796380 1022919023 /nfs/dbraw/zinc/91/90/23/1022919023.db2.gz HRBHWXNDNQQTDZ-CYBMUJFWSA-N 0 1 349.214 3.534 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN(CCc1ccc(F)cc1)C1CC1 ZINC000522660599 1024162782 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EHBDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428011802 1024937803 /nfs/dbraw/zinc/93/78/03/1024937803.db2.gz RDCXFBXRPQYXPJ-NSHDSACASA-N 0 1 348.786 3.657 20 5 EHBDMN O=[N+]([O-])c1cccc([C@@H](NCCOC(F)(F)F)c2ccccc2)c1 ZINC000474031642 1025251769 /nfs/dbraw/zinc/25/17/69/1025251769.db2.gz MPUHRBJEIHBWMK-HNNXBMFYSA-N 0 1 340.301 3.810 20 5 EHBDMN CC(C)OC(=O)C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000185583007 1025442255 /nfs/dbraw/zinc/44/22/55/1025442255.db2.gz DQXYVPNYDFFAQC-YXMGTMDOSA-N 0 1 346.427 3.662 20 5 EHBDMN Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451107425 1025539655 /nfs/dbraw/zinc/53/96/55/1025539655.db2.gz RJXKHOPTNWCEMH-GJZGRUSLSA-N 0 1 341.411 3.889 20 5 EHBDMN O=[N+]([O-])c1cc(CN[C@@]2(CO)CCCc3ccccc32)ccc1Cl ZINC000281840460 1025562741 /nfs/dbraw/zinc/56/27/41/1025562741.db2.gz YKPWDRANDVJEIK-GOSISDBHSA-N 0 1 346.814 3.562 20 5 EHBDMN COc1ccccc1[C@@H](CNCc1ccccc1[N+](=O)[O-])OC(C)C ZINC000185720665 1025691368 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Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000152658675 1034129481 /nfs/dbraw/zinc/12/94/81/1034129481.db2.gz ILALFHKVVGPSCB-UHFFFAOYSA-N 0 1 340.788 3.666 20 5 EHBDMN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000450413163 1034299018 /nfs/dbraw/zinc/29/90/18/1034299018.db2.gz SNTUGSTUYGHHCY-ZBFHGGJFSA-N 0 1 332.791 3.501 20 5 EHBDMN C[C@@H](c1ccccc1)[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450600319 1034552142 /nfs/dbraw/zinc/55/21/42/1034552142.db2.gz NGSUKYRUVHZTSN-MGPUTAFESA-N 0 1 340.423 3.724 20 5 EHBDMN Cc1cc(N2CCC(OCC3CC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000364663190 1034728128 /nfs/dbraw/zinc/72/81/28/1034728128.db2.gz UXFKAYBPKMZMOM-UHFFFAOYSA-N 0 1 341.411 3.847 20 5 EHBDMN O=[N+]([O-])c1ccc(F)cc1CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000172258408 1034870231 /nfs/dbraw/zinc/87/02/31/1034870231.db2.gz PQSCDTCUBQTESB-LJQANCHMSA-N 0 1 344.386 3.606 20 5 EHBDMN CCCOc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000156680662 1035586173 /nfs/dbraw/zinc/58/61/73/1035586173.db2.gz CUPFSVKKBXKUHA-CQSZACIVSA-N 0 1 329.400 3.938 20 5 EHBDMN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCCO1 ZINC000271984688 1035634793 /nfs/dbraw/zinc/63/47/93/1035634793.db2.gz KMMXGIUVCSRALF-LRDDRELGSA-N 0 1 347.440 3.766 20 5 EHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H](C3CC3)C2)c1 ZINC000589209852 1036312565 /nfs/dbraw/zinc/31/25/65/1036312565.db2.gz UXBLHMJHNNYWDG-GFCCVEGCSA-N 0 1 326.343 3.818 20 5 EHBDMN CCCc1[nH]nc(C(=O)N2CC[C@@H](C(C)(C)C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000493128909 1036751294 /nfs/dbraw/zinc/75/12/94/1036751294.db2.gz DMZAFQPWEYRBNB-NWDGAFQWSA-N 0 1 336.436 3.557 20 5 EHBDMN Cc1cc(C)cc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180396862 1036771184 /nfs/dbraw/zinc/77/11/84/1036771184.db2.gz XNYIIEWCXRWNQQ-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN Cc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000180396919 1036772703 /nfs/dbraw/zinc/77/27/03/1036772703.db2.gz ZWARRULMMWBKEK-GFCCVEGCSA-N 0 1 347.802 3.846 20 5 EHBDMN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CO1 ZINC000464838371 1036855907 /nfs/dbraw/zinc/85/59/07/1036855907.db2.gz VLLSUFCBEVSJAC-DNVCBOLYSA-N 0 1 326.396 3.599 20 5 EHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000057877840 1037238963 /nfs/dbraw/zinc/23/89/63/1037238963.db2.gz AWFBCLSXRIZUBW-LLVKDONJSA-N 0 1 333.775 3.538 20 5 EHBDMN COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]3F)o2)c([N+](=O)[O-])c1 ZINC000549935343 1037714573 /nfs/dbraw/zinc/71/45/73/1037714573.db2.gz AKEURVHZTJSYMZ-LSDHHAIUSA-N 0 1 334.347 3.844 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc(CN(C3CC3)C3CCCC3)n2)cc1 ZINC000103466212 1037900558 /nfs/dbraw/zinc/90/05/58/1037900558.db2.gz FEZKISSIDVZDBH-UHFFFAOYSA-N 0 1 328.372 3.552 20 5 EHBDMN CC(C)N(C)c1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000492111615 1037993305 /nfs/dbraw/zinc/99/33/05/1037993305.db2.gz VMPFYTSCVNFSAI-UHFFFAOYSA-N 0 1 342.443 3.859 20 5 EHBDMN CC[C@H](C)c1ccc([C@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(C)C)cc1 ZINC000485227108 1038787280 /nfs/dbraw/zinc/78/72/80/1038787280.db2.gz ZHEIJBXALSCZNF-BLLLJJGKSA-N 0 1 344.415 3.959 20 5 EHBDMN CCN(CCc1cccs1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000488364285 1039125078 /nfs/dbraw/zinc/12/50/78/1039125078.db2.gz VTLBTCZBSOIJMJ-CYBMUJFWSA-N 0 1 347.440 3.548 20 5 EHBDMN O=[N+]([O-])c1cccc(F)c1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000553246460 1039910821 /nfs/dbraw/zinc/91/08/21/1039910821.db2.gz YAWQIKQZIMMWJV-UHFFFAOYSA-N 0 1 334.307 3.809 20 5 EHBDMN Cn1cc(C[N@@H+](C)Cc2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120450368 1040239586 /nfs/dbraw/zinc/23/95/86/1040239586.db2.gz MPVMURZXILILML-UHFFFAOYSA-N 0 1 342.424 3.689 20 5 EHBDMN CN(Cc1ccsc1)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000120450368 1040239604 /nfs/dbraw/zinc/23/96/04/1040239604.db2.gz MPVMURZXILILML-UHFFFAOYSA-N 0 1 342.424 3.689 20 5 EHBDMN COc1cc(CN(C)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000490016259 1040309244 /nfs/dbraw/zinc/30/92/44/1040309244.db2.gz XNVDYKOVTAZPJT-UHFFFAOYSA-N 0 1 326.352 3.982 20 5 EHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC[C@@H](c4ccccc4)C3)nc2c1 ZINC000433053569 1040575243 /nfs/dbraw/zinc/57/52/43/1040575243.db2.gz QRMNRMOTPUBHDJ-OAHLLOKOSA-N 0 1 336.395 3.851 20 5 EHBDMN COc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000433074285 1040642883 /nfs/dbraw/zinc/64/28/83/1040642883.db2.gz HYOVZUYDEAEDIM-QGZVFWFLSA-N 0 1 326.396 3.983 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000600197035 1040812963 /nfs/dbraw/zinc/81/29/63/1040812963.db2.gz QDSCQURWABUJNA-PBHICJAKSA-N 0 1 348.443 3.703 20 5 EHBDMN COCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433192869 1041038606 /nfs/dbraw/zinc/03/86/06/1041038606.db2.gz NIPYQCVJOWFMTD-AWEZNQCLSA-N 0 1 344.864 3.592 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000120292269 1041211674 /nfs/dbraw/zinc/21/16/74/1041211674.db2.gz OPHLENNXXTYIGS-ZDUSSCGKSA-N 0 1 330.384 3.771 20 5 EHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000066854385 1041235833 /nfs/dbraw/zinc/23/58/33/1041235833.db2.gz KZQAWKQAQTVDBG-OAHLLOKOSA-N 0 1 341.411 3.577 20 5 EHBDMN COc1ccc(CN[C@@H]2CCCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000093116535 1041889863 /nfs/dbraw/zinc/88/98/63/1041889863.db2.gz RCUCRXADAABZMU-MRXNPFEDSA-N 0 1 330.359 3.910 20 5 EHBDMN CC[C@](C)(NCCOc1ccccc1[N+](=O)[O-])c1nc(C)cs1 ZINC000072863309 1042633182 /nfs/dbraw/zinc/63/31/82/1042633182.db2.gz NGULZSAGRSNRQD-INIZCTEOSA-N 0 1 335.429 3.654 20 5 EHBDMN Cc1ccc(Br)cc1CNCc1cccc([N+](=O)[O-])c1 ZINC000190298289 1042911788 /nfs/dbraw/zinc/91/17/88/1042911788.db2.gz GXBARKQWDSPFEY-UHFFFAOYSA-N 0 1 335.201 3.956 20 5 EHBDMN Cc1nc2ccc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)cn3)cc2[nH]1 ZINC000342659040 1043063569 /nfs/dbraw/zinc/06/35/69/1043063569.db2.gz LOUZFXHKRZDWIC-UHFFFAOYSA-N 0 1 333.351 3.691 20 5 EHBDMN COCCOc1cc(C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167616997 1043315313 /nfs/dbraw/zinc/31/53/13/1043315313.db2.gz RJRSUDZSCXWERX-HNNXBMFYSA-N 0 1 344.411 3.779 20 5 EHBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1nc2ccccc2s1 ZINC000051909151 1044131873 /nfs/dbraw/zinc/13/18/73/1044131873.db2.gz NWPPDTMNKBLMPA-UHFFFAOYSA-N 0 1 327.409 3.879 20 5 EHBDMN C[C@@H](C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000083170488 1127225185 /nfs/dbraw/zinc/22/51/85/1127225185.db2.gz CAKPTOIUDWLGCA-ZDUSSCGKSA-N 0 1 325.368 3.972 20 5 EHBDMN COCc1ccc([C@@H]2CCCN2CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000131339598 1127626612 /nfs/dbraw/zinc/62/66/12/1127626612.db2.gz RXAUPRJXIMDHKP-KRWDZBQOSA-N 0 1 346.383 3.550 20 5 EHBDMN CN(CCCC1CCOCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000765931794 1128772819 /nfs/dbraw/zinc/77/28/19/1128772819.db2.gz HOHGJFKHKYBEOM-UHFFFAOYSA-N 0 1 326.824 3.887 20 5 EHBDMN CC(C)[C@@H](C)NC(=O)C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153853383 1128773322 /nfs/dbraw/zinc/77/33/22/1128773322.db2.gz DJCQNAAYWWBYHM-CABCVRRESA-N 0 1 347.459 3.529 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNCc3ccccc3CO)o2)cc1 ZINC001648916640 1120171503 /nfs/dbraw/zinc/17/15/03/1120171503.db2.gz DHNCUWSUFXDWSG-UHFFFAOYSA-N 0 1 338.363 3.637 20 5 EHBDMN Cc1cc(N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542508630 1120855783 /nfs/dbraw/zinc/85/57/83/1120855783.db2.gz LUNDWWWSTQQVIK-CRAIPNDOSA-N 0 1 343.427 3.685 20 5 EHBDMN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cc(F)c(Cl)cc1Cl ZINC000090538369 1121146929 /nfs/dbraw/zinc/14/69/29/1121146929.db2.gz VOPGDTRZEQESKN-QMMMGPOBSA-N 0 1 347.177 3.588 20 5 EHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000154466653 1122653674 /nfs/dbraw/zinc/65/36/74/1122653674.db2.gz GSJDLZVOTHLGTA-XMMPIXPASA-N 0 1 346.452 3.743 20 5 EHBDMN CC1(C)C[C@@H](NCc2cnc3n2CCCC3)c2cc([N+](=O)[O-])ccc21 ZINC000556608190 1123056598 /nfs/dbraw/zinc/05/65/98/1123056598.db2.gz GFCARIVXPRCBPQ-QGZVFWFLSA-N 0 1 340.427 3.640 20 5 EHBDMN Cc1cc(N2CCC[C@@H]([C@H]3CCOC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543047983 1129158435 /nfs/dbraw/zinc/15/84/35/1129158435.db2.gz LHFGRVBYLMKKKU-CABCVRRESA-N 0 1 341.411 3.704 20 5 EHBDMN C[C@@H](O)C[C@H]1CCCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000388884135 1129547854 /nfs/dbraw/zinc/54/78/54/1129547854.db2.gz RAWDOSCMDNCLJR-IUODEOHRSA-N 0 1 326.824 3.764 20 5 EHBDMN COc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000302011634 1129763284 /nfs/dbraw/zinc/76/32/84/1129763284.db2.gz YVVDKDNHGYBCHB-MRXNPFEDSA-N 0 1 347.440 3.914 20 5 EHBDMN Cc1cc(N[C@H]2c3ccccc3C[C@@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302140661 1129770126 /nfs/dbraw/zinc/77/01/26/1129770126.db2.gz FGXSZLZJZSLTOV-OALUTQOASA-N 0 1 335.363 3.522 20 5 EHBDMN C[C@@H](N[C@@H](C)C(=O)Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000056197008 1129805534 /nfs/dbraw/zinc/80/55/34/1129805534.db2.gz VMWPOULIDSQJPY-MNOVXSKESA-N 0 1 349.337 3.551 20 5 EHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000056196902 1129806214 /nfs/dbraw/zinc/80/62/14/1129806214.db2.gz FJZVWWJBUHAAIJ-VXGBXAGGSA-N 0 1 347.802 3.926 20 5 EHBDMN Cc1ccc(C)c(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000056196864 1129806273 /nfs/dbraw/zinc/80/62/73/1129806273.db2.gz FCTRYDTZNDVFSN-HUUCEWRRSA-N 0 1 341.411 3.889 20 5 EHBDMN CCc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000347852976 1129928589 /nfs/dbraw/zinc/92/85/89/1129928589.db2.gz BDYLTGVIGBOIOZ-UHFFFAOYSA-N 0 1 341.411 3.596 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H](C)c1cccc(Cl)c1 ZINC000008196822 1130038676 /nfs/dbraw/zinc/03/86/76/1130038676.db2.gz KDMATTVWJXQIDW-GFCCVEGCSA-N 0 1 347.802 3.846 20 5 EHBDMN CC[C@@](C)(NCCOc1cccc([N+](=O)[O-])c1)c1nc(C)cs1 ZINC000173940644 1130325287 /nfs/dbraw/zinc/32/52/87/1130325287.db2.gz YUOKCYJJACPWTG-MRXNPFEDSA-N 0 1 335.429 3.654 20 5 EHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000245870645 1130325306 /nfs/dbraw/zinc/32/53/06/1130325306.db2.gz LBOPCOLJZKIQAC-DUFGSWQCSA-N 0 1 347.459 3.637 20 5 EHBDMN CC(C)c1ccc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000246429287 1130380727 /nfs/dbraw/zinc/38/07/27/1130380727.db2.gz MVSOINKKYRPZFS-DNVCBOLYSA-N 0 1 342.443 3.998 20 5 EHBDMN CCS[C@H]1CCCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000738228765 1131463751 /nfs/dbraw/zinc/46/37/51/1131463751.db2.gz ZNMMIKVUACILEQ-HNNXBMFYSA-N 0 1 334.445 3.510 20 5 EHBDMN CC[C@@H](C)[C@@H]1CCCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000742150032 1131693501 /nfs/dbraw/zinc/69/35/01/1131693501.db2.gz TYFOILBQSHBOSC-ZBFHGGJFSA-N 0 1 343.431 3.711 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(SC)CC2)c1F ZINC001173189540 1131995512 /nfs/dbraw/zinc/99/55/12/1131995512.db2.gz KPDZSMBUYSXHQU-LLVKDONJSA-N 0 1 342.436 3.501 20 5 EHBDMN C[C@@H](C(=O)OCc1cc(Cl)ccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000746076758 1132361233 /nfs/dbraw/zinc/36/12/33/1132361233.db2.gz PNMGMYFHMMPBDV-TUAOUCFPSA-N 0 1 340.807 3.553 20 5 EHBDMN CC[C@H]1CN(Cn2nc(C)c([N+](=O)[O-])c2C)CC[C@@H]1c1ccccc1 ZINC000746382295 1132505270 /nfs/dbraw/zinc/50/52/70/1132505270.db2.gz LLHYMIIRJVZQLA-WMZOPIPTSA-N 0 1 342.443 3.881 20 5 EHBDMN C[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001169396212 1132747275 /nfs/dbraw/zinc/74/72/75/1132747275.db2.gz PZCBRPNEPHZTLG-NSHDSACASA-N 0 1 327.222 3.979 20 5 EHBDMN Cc1ccc(CN[C@@]2(CO)CC[C@H](C)c3ccccc32)cc1[N+](=O)[O-] ZINC001176933652 1133011501 /nfs/dbraw/zinc/01/15/01/1133011501.db2.gz YQAYKXXMRAPHNX-VBKZILBWSA-N 0 1 340.423 3.778 20 5 EHBDMN CCCCC[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767761887 1133048304 /nfs/dbraw/zinc/04/83/04/1133048304.db2.gz LDDBUQJSKMDJJR-INIZCTEOSA-N 0 1 343.431 3.856 20 5 EHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000773705257 1133095747 /nfs/dbraw/zinc/09/57/47/1133095747.db2.gz UQUJVVMDMQUHKX-KGLIPLIRSA-N 0 1 338.835 3.887 20 5 EHBDMN CC(C)OCCCCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001178291337 1133153618 /nfs/dbraw/zinc/15/36/18/1133153618.db2.gz WSTDSNMYAYGBFJ-UHFFFAOYSA-N 0 1 345.237 3.652 20 5 EHBDMN COC(=O)C[C@@H]1CN(Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000769446983 1133291855 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3.696 20 5 EHBDMN C[C@H]1CC[C@@](CO)(N(C)Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000809982047 1135908449 /nfs/dbraw/zinc/90/84/49/1135908449.db2.gz GLAQYVQLRMOKCL-ZUZCIYMTSA-N 0 1 347.242 3.885 20 5 EHBDMN C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000852779364 1136485643 /nfs/dbraw/zinc/48/56/43/1136485643.db2.gz DTJVBSPKENRENK-LBPRGKRZSA-N 0 1 330.359 3.910 20 5 EHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCCc2[nH]ncc2C1 ZINC000854054867 1136584055 /nfs/dbraw/zinc/58/40/55/1136584055.db2.gz RNWJNAFYOLGKRU-UHFFFAOYSA-N 0 1 341.198 3.573 20 5 EHBDMN Cc1cc(C)cc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001135370419 1136671068 /nfs/dbraw/zinc/67/10/68/1136671068.db2.gz PWKWTIPLHZBPCR-UHFFFAOYSA-N 0 1 336.351 3.854 20 5 EHBDMN Cc1ccc2nc(NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000817017521 1136770929 /nfs/dbraw/zinc/77/09/29/1136770929.db2.gz QVWXHHHQVYCTPP-UHFFFAOYSA-N 0 1 346.293 3.510 20 5 EHBDMN CC[N@H+](c1ccc(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1)C(C)C 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CC[C@@H](COCC(F)(F)F)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074745 1137569861 /nfs/dbraw/zinc/56/98/61/1137569861.db2.gz HAVVDNAFEARCRB-ZJUUUORDSA-N 0 1 338.301 3.742 20 5 EHBDMN C[C@H](NC[C@H]1c2ccccc2CN1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091964 1137570949 /nfs/dbraw/zinc/57/09/49/1137570949.db2.gz KRQJEEJQUOAXAH-SJCJKPOMSA-N 0 1 329.375 3.571 20 5 EHBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)nc1 ZINC000873186732 1137593290 /nfs/dbraw/zinc/59/32/90/1137593290.db2.gz WVELAPWKDNXJKI-JTQLQIEISA-N 0 1 325.290 3.859 20 5 EHBDMN C[C@H](C1CC1)[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877929849 1137695921 /nfs/dbraw/zinc/69/59/21/1137695921.db2.gz ORXHGQGFQSOOQG-SECBINFHSA-N 0 1 336.779 3.529 20 5 EHBDMN C[C@H](C1CC1)N(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877929849 1137695922 /nfs/dbraw/zinc/69/59/22/1137695922.db2.gz ORXHGQGFQSOOQG-SECBINFHSA-N 0 1 336.779 3.529 20 5 EHBDMN CC[C@]1(C)CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878149625 1137704503 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EHBDMN CCc1nc(C)c([C@@H](C)NCc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000268832181 1141003553 /nfs/dbraw/zinc/00/35/53/1141003553.db2.gz OPYHIKUAVAQRDI-SNVBAGLBSA-N 0 1 335.429 3.782 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H]2Cn2cnc3ccccc32)cs1 ZINC000271410728 1141360642 /nfs/dbraw/zinc/36/06/42/1141360642.db2.gz PHGACGZJPLIXPC-AWEZNQCLSA-N 0 1 342.424 3.671 20 5 EHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@]3(C2)CCCOC3)c1 ZINC000339167644 1141515907 /nfs/dbraw/zinc/51/59/07/1141515907.db2.gz AFPZMBLWDFEXFY-HNNXBMFYSA-N 0 1 344.333 3.616 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000274470350 1141538084 /nfs/dbraw/zinc/53/80/84/1141538084.db2.gz OFWBAMKSGGPBKY-OAHLLOKOSA-N 0 1 326.396 3.639 20 5 EHBDMN Nc1c(F)c(NC[C@H](c2ccco2)N2CCCCC2)ccc1[N+](=O)[O-] ZINC000348705539 1141568259 /nfs/dbraw/zinc/56/82/59/1141568259.db2.gz LSFALLCKYSRMON-CQSZACIVSA-N 0 1 348.378 3.548 20 5 EHBDMN COc1cc(C)c([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1OC ZINC000283256948 1141579863 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342.395 3.949 20 5 EHBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC001598506931 992516675 /nfs/dbraw/zinc/51/66/75/992516675.db2.gz HXSVYXSVRNPEDK-SFHVURJKSA-N 0 1 340.379 3.802 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc([C@@H]2NCC[C@@H]3CCCC[C@H]23)n1 ZINC000904604346 1032153928 /nfs/dbraw/zinc/15/39/28/1032153928.db2.gz QEYCSSCYRNESIC-VBNZEHGJSA-N 0 1 342.399 3.794 20 5 EHBDMN C[C@@H](CCCc1cccnc1)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000459643072 1032363753 /nfs/dbraw/zinc/36/37/53/1032363753.db2.gz UDRCDUHSADLGPR-LBPRGKRZSA-N 0 1 335.354 3.769 20 5 EHBDMN CC(C)c1ccc(CN[C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000376759395 1017093057 /nfs/dbraw/zinc/09/30/57/1017093057.db2.gz URRJYNDRSSIUBT-MRXNPFEDSA-N 0 1 328.416 3.619 20 5 EHBDMN CC[C@@H]1CCC[C@H]1CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449433209 1032549327 /nfs/dbraw/zinc/54/93/27/1032549327.db2.gz LEKSDSYLYWPJLW-UWWQBHOKSA-N 0 1 342.443 3.834 20 5 EHBDMN COc1ccc(CN2CCC(OCC3CCCC3)CC2)cc1[N+](=O)[O-] 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EHBDMN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cccc([N+](=O)[O-])c1 ZINC000829028167 604648837 /nfs/dbraw/zinc/64/88/37/604648837.db2.gz SXMKIIFSTFTBGE-QGZVFWFLSA-N 0 1 328.368 3.633 20 5 EHBDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000829026142 604650682 /nfs/dbraw/zinc/65/06/82/604650682.db2.gz GYLIDHVUFIWUFR-KRWDZBQOSA-N 0 1 328.368 3.633 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000593744129 953755550 /nfs/dbraw/zinc/75/55/50/953755550.db2.gz NFAQAURRSNAIFH-FZKQIMNGSA-N 0 1 340.379 3.648 20 5 EHBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000593741987 974986794 /nfs/dbraw/zinc/98/67/94/974986794.db2.gz VGZCVLJWMRCAEA-LBPRGKRZSA-N 0 1 348.424 3.808 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000595279691 974995252 /nfs/dbraw/zinc/99/52/52/974995252.db2.gz XCJUAHXKTJZWFB-MRXNPFEDSA-N 0 1 332.400 3.838 20 5 EHBDMN CC(C)C[C@@H](N)c1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000339356984 1014275099 /nfs/dbraw/zinc/27/50/99/1014275099.db2.gz CKEBGDCPIXJVLD-GXFFZTMASA-N 0 1 336.417 3.877 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N2C[C@@H](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000557735966 1014413282 /nfs/dbraw/zinc/41/32/82/1014413282.db2.gz GUEINWIKIYZETD-JSGCOSHPSA-N 0 1 342.399 3.665 20 5 EHBDMN CC[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)(C)C(=O)[O-] ZINC001596355733 983821505 /nfs/dbraw/zinc/82/15/05/983821505.db2.gz AWUHAUYJZOBOBZ-UHFFFAOYSA-N 0 1 335.187 3.587 20 5 EHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459582416 1032280925 /nfs/dbraw/zinc/28/09/25/1032280925.db2.gz RFQCDNIFWNGRPS-KRWDZBQOSA-N 0 1 338.411 3.642 20 5 EHBDMN CC[C@@H]1CCC[C@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449433206 1032549859 /nfs/dbraw/zinc/54/98/59/1032549859.db2.gz LEKSDSYLYWPJLW-HFTRVMKXSA-N 0 1 342.443 3.834 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120910020 1017182947 /nfs/dbraw/zinc/18/29/47/1017182947.db2.gz FWSWSIGYKUJQLU-CQSZACIVSA-N 0 1 345.418 3.955 20 5 EHBDMN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000419347138 1018734799 /nfs/dbraw/zinc/73/47/99/1018734799.db2.gz WJXPDJHVFASSAI-CYBMUJFWSA-N 0 1 339.395 3.762 20 5 EHBDMN C[C@@H]1CCCC[C@@H]1CN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513661938 1019929624 /nfs/dbraw/zinc/92/96/24/1019929624.db2.gz RJZGKLUOLZGCPN-KYJSFNMBSA-N 0 1 342.443 3.834 20 5 EHBDMN Cc1ccc(-c2nc(CNCCc3ccc([N+](=O)[O-])cc3)co2)cc1 ZINC000610497340 1020727391 /nfs/dbraw/zinc/72/73/91/1020727391.db2.gz ZUNUCDUYSTZEDW-UHFFFAOYSA-N 0 1 337.379 3.891 20 5 EHBDMN Cc1cccc(O[C@@H](C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602548667 1032955385 /nfs/dbraw/zinc/95/53/85/1032955385.db2.gz UVTACBWGVNDXEB-ZDUSSCGKSA-N 0 1 341.367 3.602 20 5 EHBDMN Cc1ccc([C@@H]2[C@@H](C)CCCN2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC001167477788 1021459154 /nfs/dbraw/zinc/45/91/54/1021459154.db2.gz 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CC[C@@H]1C[C@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC001167500304 1024242879 /nfs/dbraw/zinc/24/28/79/1024242879.db2.gz SMICETROQZKRJV-GXFFZTMASA-N 0 1 327.222 3.978 20 5 EHBDMN Cc1c(NC(=O)c2cc(-c3cccs3)n[nH]2)cccc1[N+](=O)[O-] ZINC000119465486 1024287456 /nfs/dbraw/zinc/28/74/56/1024287456.db2.gz MMJPPUSJIQKWQI-UHFFFAOYSA-N 0 1 328.353 3.607 20 5 EHBDMN Cc1ccc(C)c([C@@H](C)N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000346275569 1024566119 /nfs/dbraw/zinc/56/61/19/1024566119.db2.gz AWVZBOPZDFMDOF-CQSZACIVSA-N 0 1 341.411 3.504 20 5 EHBDMN CC[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCO1 ZINC000119656871 1024658193 /nfs/dbraw/zinc/65/81/93/1024658193.db2.gz WYAVDWSOZGHXDA-JKSUJKDBSA-N 0 1 347.440 3.766 20 5 EHBDMN COc1c(O)ccc(CN[C@H]2CCc3ccc(Cl)cc32)c1[N+](=O)[O-] ZINC000895666924 1024713579 /nfs/dbraw/zinc/71/35/79/1024713579.db2.gz YXNUBHYQDDVDER-AWEZNQCLSA-N 0 1 348.786 3.740 20 5 EHBDMN COc1ccc(CN[C@@H]2CCc3cc(F)c(OC)cc32)cc1[N+](=O)[O-] ZINC000281310043 1024875291 /nfs/dbraw/zinc/87/52/91/1024875291.db2.gz RUOCFMLUYXZWOZ-OAHLLOKOSA-N 0 1 346.358 3.528 20 5 EHBDMN Cc1cc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc2nc[nH]c21 ZINC000515065929 1024994580 /nfs/dbraw/zinc/99/45/80/1024994580.db2.gz FGAURJXKQOBPQD-UHFFFAOYSA-N 0 1 335.323 3.805 20 5 EHBDMN COc1cc(CN2CCC(c3ccc(F)cn3)CC2)ccc1[N+](=O)[O-] ZINC000602905946 1033253374 /nfs/dbraw/zinc/25/33/74/1033253374.db2.gz WDVIJULAZYNKNE-UHFFFAOYSA-N 0 1 345.374 3.517 20 5 EHBDMN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000119690219 1025192115 /nfs/dbraw/zinc/19/21/15/1025192115.db2.gz YEJZBGKEMUIEEC-CYBMUJFWSA-N 0 1 349.390 3.698 20 5 EHBDMN CC(C)Oc1cccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000515389554 1025200941 /nfs/dbraw/zinc/20/09/41/1025200941.db2.gz IDRVFDSIHXNVBD-ZDUSSCGKSA-N 0 1 330.384 3.938 20 5 EHBDMN Cc1cccnc1[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000934288120 1025262527 /nfs/dbraw/zinc/26/25/27/1025262527.db2.gz RXDSZYWYHRRFPW-KRWDZBQOSA-N 0 1 329.400 3.881 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000521424640 1025382174 /nfs/dbraw/zinc/38/21/74/1025382174.db2.gz QWNHDIBXDHKWKR-QGZVFWFLSA-N 0 1 344.386 3.950 20 5 EHBDMN COC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000452100932 1026477050 /nfs/dbraw/zinc/47/70/50/1026477050.db2.gz IXZDMZSZVQPOPV-GFCCVEGCSA-N 0 1 346.349 3.862 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000531211146 1026690210 /nfs/dbraw/zinc/69/02/10/1026690210.db2.gz ZADSHXPRMDNMBS-HXUWFJFHSA-N 0 1 340.423 3.819 20 5 EHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C(C)C)CC1 ZINC000533418056 1027836250 /nfs/dbraw/zinc/83/62/50/1027836250.db2.gz POWDWVBPAHFRIX-HNNXBMFYSA-N 0 1 333.432 3.600 20 5 EHBDMN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000178687221 1027970375 /nfs/dbraw/zinc/97/03/75/1027970375.db2.gz JABCKJXFUBVLMC-CHWSQXEVSA-N 0 1 345.374 3.720 20 5 EHBDMN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000178689662 1027991087 /nfs/dbraw/zinc/99/10/87/1027991087.db2.gz DIPWNNQXAKAFNW-KBPBESRZSA-N 0 1 327.384 3.581 20 5 EHBDMN O=[N+]([O-])c1cccc(Cl)c1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000502511876 1028299207 /nfs/dbraw/zinc/29/92/07/1028299207.db2.gz UZYDOBDJUWUMDN-DGCLKSJQSA-N 0 1 334.750 3.888 20 5 EHBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000444866629 1028355379 /nfs/dbraw/zinc/35/53/79/1028355379.db2.gz AWBOJSPRMNAYSD-UHFFFAOYSA-N 0 1 339.399 3.800 20 5 EHBDMN C[C@H](NCc1ccnn1C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000152172186 1029296610 /nfs/dbraw/zinc/29/66/10/1029296610.db2.gz MSTGUUIQCVKAJR-LBPRGKRZSA-N 0 1 342.424 3.908 20 5 EHBDMN CC1(C)CCCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000446062008 1029375695 /nfs/dbraw/zinc/37/56/95/1029375695.db2.gz SONVIOIXKIDZFI-UHFFFAOYSA-N 0 1 330.388 3.657 20 5 EHBDMN CCc1ccc([C@@H](N[C@H]2CC[C@@H](CO)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453264522 1029997051 /nfs/dbraw/zinc/99/70/51/1029997051.db2.gz ACQKKNDJNCCDBK-WTANOLMUSA-N 0 1 344.411 3.590 20 5 EHBDMN CCc1ccc([C@@H](NC[C@@H]2CCC[C@H]2O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453385880 1030168824 /nfs/dbraw/zinc/16/88/24/1030168824.db2.gz OHMWZAJHZUCNDH-YJLNNSPDSA-N 0 1 344.411 3.590 20 5 EHBDMN Cc1cnccc1OC1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000429725055 1030380993 /nfs/dbraw/zinc/38/09/93/1030380993.db2.gz RCGGVOXGIVNJJE-UHFFFAOYSA-N 0 1 341.411 3.650 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161145865 1031358631 /nfs/dbraw/zinc/35/86/31/1031358631.db2.gz PDQXHOAEAXOKNL-APWZRJJASA-N 0 1 348.443 3.509 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCc2ccccc2NC1=O ZINC000594511440 1033415906 /nfs/dbraw/zinc/41/59/06/1033415906.db2.gz NHIABZZVCMTQBF-UGSOOPFHSA-N 0 1 339.395 3.507 20 5 EHBDMN Cc1ccc(CN[C@H](c2ccccc2)[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000594992906 1033624440 /nfs/dbraw/zinc/62/44/40/1033624440.db2.gz ZZDRSVPLMRXHRN-RTBURBONSA-N 0 1 328.412 3.751 20 5 EHBDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000598998002 1033632020 /nfs/dbraw/zinc/63/20/20/1033632020.db2.gz BDXVHXCECUDCHD-JBBSTSQOSA-N 0 1 347.440 3.620 20 5 EHBDMN CC1(C)C[C@H](N[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CO1 ZINC000595050151 1033667815 /nfs/dbraw/zinc/66/78/15/1033667815.db2.gz QIJFDDZLWDWEGL-WMZOPIPTSA-N 0 1 326.396 3.841 20 5 EHBDMN CCC[C@H](NCc1c(C2CC2)cnn1C)c1cccc([N+](=O)[O-])c1 ZINC000595078363 1033695929 /nfs/dbraw/zinc/69/59/29/1033695929.db2.gz VGEFLYVEXCQPBH-KRWDZBQOSA-N 0 1 328.416 3.837 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](n1cccn1)C(F)(F)F ZINC000599053931 1033705054 /nfs/dbraw/zinc/70/50/54/1033705054.db2.gz BAMDBHGJVIUABI-FZMZJTMJSA-N 0 1 342.321 3.554 20 5 EHBDMN Cc1noc(CN(C)[C@@H](Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000595331246 1033732041 /nfs/dbraw/zinc/73/20/41/1033732041.db2.gz SWUNBSREQFIVFR-HNNXBMFYSA-N 0 1 335.379 3.729 20 5 EHBDMN Cc1noc(CN2CCC[C@H]2CCCc2ccccc2)c1[N+](=O)[O-] ZINC000595351752 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C[C@@H](NCc1ccnc(OC2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000090911925 1032579279 /nfs/dbraw/zinc/57/92/79/1032579279.db2.gz YNKITYMTVLXKFN-CYBMUJFWSA-N 0 1 327.384 3.772 20 5 EHBDMN CC[C@@H](NCC(=O)N(CC)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181526308 1017147551 /nfs/dbraw/zinc/14/75/51/1017147551.db2.gz KJMWCAQLTSCKEG-GOSISDBHSA-N 0 1 341.411 3.689 20 5 EHBDMN CCn1nc(C)c(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1C ZINC000579934966 1017322209 /nfs/dbraw/zinc/32/22/09/1017322209.db2.gz MKYQYPUAHVDZAE-IBGZPJMESA-N 0 1 342.443 3.985 20 5 EHBDMN CC[C@@](C)(NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000892972293 1018009514 /nfs/dbraw/zinc/00/95/14/1018009514.db2.gz IPYHIMDEGRRNFV-GOSISDBHSA-N 0 1 330.384 3.724 20 5 EHBDMN COc1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000025447893 1018981770 /nfs/dbraw/zinc/98/17/70/1018981770.db2.gz QWVVMFCSNMGONE-CYBMUJFWSA-N 0 1 330.384 3.805 20 5 EHBDMN CC(C)(C)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1[N+](=O)[O-] ZINC000261772988 1019523482 /nfs/dbraw/zinc/52/34/82/1019523482.db2.gz NGTVUNDFIXXWNO-UHFFFAOYSA-N 0 1 330.388 3.670 20 5 EHBDMN CCO[C@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000120837396 1021262575 /nfs/dbraw/zinc/26/25/75/1021262575.db2.gz DXSXNWJGDRJLCH-CVEARBPZSA-N 0 1 345.399 3.516 20 5 EHBDMN CSc1ccc([C@@H](C)NCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000439478643 1021470086 /nfs/dbraw/zinc/47/00/86/1021470086.db2.gz OZRMBOJUQPXDIU-GFCCVEGCSA-N 0 1 345.424 3.606 20 5 EHBDMN COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000157895884 1021515790 /nfs/dbraw/zinc/51/57/90/1021515790.db2.gz HUKSTPBGYFEXHJ-HNNXBMFYSA-N 0 1 342.395 3.602 20 5 EHBDMN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000051233142 1021808954 /nfs/dbraw/zinc/80/89/54/1021808954.db2.gz XNHUKQXSIWZHAW-UHFFFAOYSA-N 0 1 326.805 3.821 20 5 EHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(CCc2cccs2)CC1 ZINC000141433266 1033031663 /nfs/dbraw/zinc/03/16/63/1033031663.db2.gz UMLJVGSVNPXWHR-HNNXBMFYSA-N 0 1 345.468 3.578 20 5 EHBDMN CCO[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3o2)C12CCCC2 ZINC000517287579 1022215329 /nfs/dbraw/zinc/21/53/29/1022215329.db2.gz MSYJNNALQMBIPL-CVEARBPZSA-N 0 1 345.399 3.563 20 5 EHBDMN Cc1cc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)ccc1Cl ZINC000425958386 1022457784 /nfs/dbraw/zinc/45/77/84/1022457784.db2.gz FYFQVZVPUKSVBM-UHFFFAOYSA-N 0 1 334.807 3.590 20 5 EHBDMN Cn1ccnc1[C@@H](C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602686078 1033066112 /nfs/dbraw/zinc/06/61/12/1033066112.db2.gz VKHLNCMMLGMELX-FUHWJXTLSA-N 0 1 340.427 3.659 20 5 EHBDMN Cn1ccnc1[C@@H](C1CC1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602686080 1033067993 /nfs/dbraw/zinc/06/79/93/1033067993.db2.gz VKHLNCMMLGMELX-SJLPKXTDSA-N 0 1 340.427 3.659 20 5 EHBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000729469206 1022842322 /nfs/dbraw/zinc/84/23/22/1022842322.db2.gz KKXWUDMVLQHCJI-CQSZACIVSA-N 0 1 340.358 3.531 20 5 EHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@]2(CC2(F)F)C1 ZINC000602704178 1033092218 /nfs/dbraw/zinc/09/22/18/1033092218.db2.gz GFYWRZHYQZIAOA-LBPRGKRZSA-N 0 1 336.260 3.845 20 5 EHBDMN CCOc1cc(CN[C@H](C)c2ccc(OC)cc2)ccc1[N+](=O)[O-] ZINC000276874657 1023278263 /nfs/dbraw/zinc/27/82/63/1023278263.db2.gz HZEJEKFYQZGVCS-CYBMUJFWSA-N 0 1 330.384 3.853 20 5 EHBDMN CCN1CCN(C(=O)c2cc3ccccc3c3cccnc23)[C@H](C)C1 ZINC000341770830 1023299587 /nfs/dbraw/zinc/29/95/87/1023299587.db2.gz JVNQSRSWSXCHBB-OAHLLOKOSA-N 0 1 333.435 3.554 20 5 EHBDMN CCc1cc(CN[C@@H](CC)CSc2ccccc2[N+](=O)[O-])on1 ZINC000535777814 1023627911 /nfs/dbraw/zinc/62/79/11/1023627911.db2.gz WMVFOPLUYKKWHW-ZDUSSCGKSA-N 0 1 335.429 3.806 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCCc3ccccc32)c1[N+](=O)[O-] ZINC000610917291 1023876951 /nfs/dbraw/zinc/87/69/51/1023876951.db2.gz YNXAYBLLKLVNTB-AWEZNQCLSA-N 0 1 342.399 3.591 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000538275548 1024278442 /nfs/dbraw/zinc/27/84/42/1024278442.db2.gz GWJCSTNQDHZDEK-LBPRGKRZSA-N 0 1 347.802 3.846 20 5 EHBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000507003546 1024309172 /nfs/dbraw/zinc/30/91/72/1024309172.db2.gz WLQJUULOZPGUBZ-DZGCQCFKSA-N 0 1 329.375 3.981 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc2c1OCCCO2 ZINC000539058164 1024717281 /nfs/dbraw/zinc/71/72/81/1024717281.db2.gz GTOJRYKKAGTGRU-CQSZACIVSA-N 0 1 342.395 3.915 20 5 EHBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000427926509 1024892342 /nfs/dbraw/zinc/89/23/42/1024892342.db2.gz WREWNPSLICBUQL-HNNXBMFYSA-N 0 1 334.759 3.835 20 5 EHBDMN CC[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000427988714 1024926789 /nfs/dbraw/zinc/92/67/89/1024926789.db2.gz PUOSCVIWSBWOBO-KRWDZBQOSA-N 0 1 339.395 3.807 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@H]1OCCc2ccccc21 ZINC000515333665 1025175575 /nfs/dbraw/zinc/17/55/75/1025175575.db2.gz ZSWZTAMRQRHYIU-LJQANCHMSA-N 0 1 326.396 3.649 20 5 EHBDMN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442231843 1025215361 /nfs/dbraw/zinc/21/53/61/1025215361.db2.gz JADOCQWXRNHHMG-UHFFFAOYSA-N 0 1 349.412 3.606 20 5 EHBDMN COc1cc(CN2C[C@H](C)C[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000347200895 1025641978 /nfs/dbraw/zinc/64/19/78/1025641978.db2.gz OGEPLPOIFJVRNC-DYVFJYSZSA-N 0 1 327.384 3.582 20 5 EHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425559237 1025752286 /nfs/dbraw/zinc/75/22/86/1025752286.db2.gz ZBIRJJJWWAJTCR-QGZVFWFLSA-N 0 1 334.391 3.515 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1n[nH]c(-c2ccccc2F)n1 ZINC000436475386 1025769012 /nfs/dbraw/zinc/76/90/12/1025769012.db2.gz UWQOAMXTVMCLMU-UHFFFAOYSA-N 0 1 346.343 3.517 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](COc2ccccc2)C1 ZINC000505870418 1026089602 /nfs/dbraw/zinc/08/96/02/1026089602.db2.gz WZMIACGYTYQRSO-HNNXBMFYSA-N 0 1 342.395 3.504 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000186438429 1026902456 /nfs/dbraw/zinc/90/24/56/1026902456.db2.gz XJQWKXHIDJBSRI-FKIZTMCRSA-N 0 1 336.391 3.739 20 5 EHBDMN Cc1cc(N2CCCC3(CCOCC3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272814582 1027130334 /nfs/dbraw/zinc/13/03/34/1027130334.db2.gz HOMKTNIKMLQUQU-UHFFFAOYSA-N 0 1 341.411 3.848 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccc(F)cc2)C(C)C)c1[N+](=O)[O-] ZINC000434191468 1027708729 /nfs/dbraw/zinc/70/87/29/1027708729.db2.gz ZWINGLZEBWGSNP-UHFFFAOYSA-N 0 1 348.378 3.631 20 5 EHBDMN Cc1ccc([C@@H](C)N[C@@H]2CN(C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000366690877 1027741131 /nfs/dbraw/zinc/74/11/31/1027741131.db2.gz BDGZKTYHLCPECG-RDTXWAMCSA-N 0 1 325.412 3.741 20 5 EHBDMN CCOc1ccc([C@@H](C)N[C@@H](CO)c2ccccc2C)cc1[N+](=O)[O-] ZINC000536626011 1028012526 /nfs/dbraw/zinc/01/25/26/1028012526.db2.gz VKRQGEBONFBZQA-PBHICJAKSA-N 0 1 344.411 3.686 20 5 EHBDMN C[C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000524192561 1028974042 /nfs/dbraw/zinc/97/40/42/1028974042.db2.gz VTNWOOIUBHZTSS-VXGBXAGGSA-N 0 1 343.387 3.535 20 5 EHBDMN Cc1cc(Cl)cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000508679539 1029634561 /nfs/dbraw/zinc/63/45/61/1029634561.db2.gz MNUQIUWUZOOGIZ-HNNXBMFYSA-N 0 1 346.818 3.638 20 5 EHBDMN C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000343224599 1029810154 /nfs/dbraw/zinc/81/01/54/1029810154.db2.gz YRXOKEUVWOVAEF-ZDUSSCGKSA-N 0 1 342.399 3.550 20 5 EHBDMN C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000343224599 1029810165 /nfs/dbraw/zinc/81/01/65/1029810165.db2.gz YRXOKEUVWOVAEF-ZDUSSCGKSA-N 0 1 342.399 3.550 20 5 EHBDMN CC(C)Cc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446830004 1029812228 /nfs/dbraw/zinc/81/22/28/1029812228.db2.gz NOJLJZRIPCXKCW-UHFFFAOYSA-N 0 1 338.411 3.959 20 5 EHBDMN C[C@H](CC(C)(C)C)N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000453430006 1030286060 /nfs/dbraw/zinc/28/60/60/1030286060.db2.gz QCYWCWJAUHGVON-CZUORRHYSA-N 0 1 330.432 3.832 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(OC(C)C)nc1 ZINC000160070729 1030519521 /nfs/dbraw/zinc/51/95/21/1030519521.db2.gz QWMKVUQOUJKABU-CQSZACIVSA-N 0 1 329.400 3.936 20 5 EHBDMN CCn1cc([C@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000296040884 1031223854 /nfs/dbraw/zinc/22/38/54/1031223854.db2.gz UJBOYHGLOUVBPC-SJCJKPOMSA-N 0 1 328.416 3.884 20 5 EHBDMN O=[N+]([O-])c1ccccc1Cc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3N2)n1 ZINC000904080168 1031713296 /nfs/dbraw/zinc/71/32/96/1031713296.db2.gz YPIAASJUTOYSIB-QEJZJMRPSA-N 0 1 342.399 3.552 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(CCc1nccs1)C(C)C ZINC000179050991 1031741890 /nfs/dbraw/zinc/74/18/90/1031741890.db2.gz OAMATBRLPNJGDZ-UHFFFAOYSA-N 0 1 349.456 3.903 20 5 EHBDMN Cc1nn(CN2CC[C@H](c3ccc(Cl)cc3)C2)c(C)c1[N+](=O)[O-] ZINC000111171365 1031757925 /nfs/dbraw/zinc/75/79/25/1031757925.db2.gz SLBUOSIAZLSPDF-AWEZNQCLSA-N 0 1 334.807 3.509 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC000594734325 1033507457 /nfs/dbraw/zinc/50/74/57/1033507457.db2.gz XCOBDDIXEINXGU-HNNXBMFYSA-N 0 1 332.400 3.695 20 5 EHBDMN Cc1nn(CN2CCS[C@@H]3CCCC[C@@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761292775 1033555095 /nfs/dbraw/zinc/55/50/95/1033555095.db2.gz NEMYBXOUWMBCEA-DOTOQJQBSA-N 0 1 346.456 3.570 20 5 EHBDMN COc1cc(CN[C@@H]2CCCc3c(C)cccc32)c([N+](=O)[O-])cc1O ZINC000595000491 1033626611 /nfs/dbraw/zinc/62/66/11/1033626611.db2.gz JSXLRHUVAXBOTJ-MRXNPFEDSA-N 0 1 342.395 3.785 20 5 EHBDMN COCc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003423 1033627278 /nfs/dbraw/zinc/62/72/78/1033627278.db2.gz FXVJUYPBHPBJMA-CYBMUJFWSA-N 0 1 330.384 3.601 20 5 EHBDMN COC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccc(OC)c1 ZINC000595066512 1033644970 /nfs/dbraw/zinc/64/49/70/1033644970.db2.gz ICASTSIRBLXQOK-QZTJIDSGSA-N 0 1 342.395 3.568 20 5 EHBDMN CC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000892416373 1033770345 /nfs/dbraw/zinc/77/03/45/1033770345.db2.gz WSCAIRKTIULZTJ-OAHLLOKOSA-N 0 1 346.383 3.559 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4ccccn4)C3)nc2c1 ZINC000595501906 1033832173 /nfs/dbraw/zinc/83/21/73/1033832173.db2.gz QEAFCGXRPLVEBB-CYBMUJFWSA-N 0 1 338.367 3.511 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4ccccn4)C3)nc2c1 ZINC000595501906 1033832184 /nfs/dbraw/zinc/83/21/84/1033832184.db2.gz QEAFCGXRPLVEBB-CYBMUJFWSA-N 0 1 338.367 3.511 20 5 EHBDMN CCN(Cc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 ZINC000603838773 1033950573 /nfs/dbraw/zinc/95/05/73/1033950573.db2.gz HWYGQQXPKVOZCW-MRXNPFEDSA-N 0 1 342.395 3.565 20 5 EHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC[C@@H](CCF)C1 ZINC000595754777 1033985496 /nfs/dbraw/zinc/98/54/96/1033985496.db2.gz BULVCDAIMWZLBJ-STQMWFEESA-N 0 1 348.378 3.777 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000595787976 1033998386 /nfs/dbraw/zinc/99/83/86/1033998386.db2.gz LFXILHHOWDVJLE-GOSISDBHSA-N 0 1 348.443 3.775 20 5 EHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599584502 1034026243 /nfs/dbraw/zinc/02/62/43/1034026243.db2.gz ADZICILGQCIYDR-QLFBSQMISA-N 0 1 348.443 3.956 20 5 EHBDMN COc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000604484461 1034388085 /nfs/dbraw/zinc/38/80/85/1034388085.db2.gz PMMTYFLFIMXJLW-INIZCTEOSA-N 0 1 328.368 3.646 20 5 EHBDMN Cc1cc(NCc2n[nH]c(C3CC3)n2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450630457 1034578801 /nfs/dbraw/zinc/57/88/01/1034578801.db2.gz VXXCCZMOSDDUMP-UHFFFAOYSA-N 0 1 341.293 3.530 20 5 EHBDMN CO[C@H]1c2ccccc2C[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000411896565 1035065661 /nfs/dbraw/zinc/06/56/61/1035065661.db2.gz RVVVGUPXHIVUAP-SJORKVTESA-N 0 1 332.787 3.650 20 5 EHBDMN CO[C@](C)([C@H](C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000411970091 1035089503 /nfs/dbraw/zinc/08/95/03/1035089503.db2.gz MTUZZMUDVMCEMN-KPZWWZAWSA-N 0 1 345.399 3.543 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000412001715 1035273947 /nfs/dbraw/zinc/27/39/47/1035273947.db2.gz QTIXEPGQNPTGGT-IBGZPJMESA-N 0 1 338.407 3.949 20 5 EHBDMN CC[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CCCC1 ZINC000581315206 1035483742 /nfs/dbraw/zinc/48/37/42/1035483742.db2.gz VQPBSINOEVVULO-ZFWWWQNUSA-N 0 1 345.365 3.662 20 5 EHBDMN Cc1cc(NCc2ccc3c(c2)COC3)c2cc([N+](=O)[O-])ccc2n1 ZINC000541191387 1036060295 /nfs/dbraw/zinc/06/02/95/1036060295.db2.gz WYULTQNMHQXGQW-UHFFFAOYSA-N 0 1 335.363 3.516 20 5 EHBDMN COc1cc(CN2CCC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492729411 1036218530 /nfs/dbraw/zinc/21/85/30/1036218530.db2.gz RZJOUGZHSMDSFA-QGZVFWFLSA-N 0 1 341.411 3.680 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(N2CCCC[C@@H]2c2n[nH]c(C(C)C)n2)c1 ZINC000589174294 1036271943 /nfs/dbraw/zinc/27/19/43/1036271943.db2.gz WVVPQNMDIRSZQU-CQSZACIVSA-N 0 1 329.404 3.876 20 5 EHBDMN CC[C@H](NCc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000498356652 1036278722 /nfs/dbraw/zinc/27/87/22/1036278722.db2.gz ZVZRRRLASKOMQL-GXTWGEPZSA-N 0 1 334.338 3.510 20 5 EHBDMN Cc1cc([C@@H](C)NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c(C)s1 ZINC000541581301 1036454380 /nfs/dbraw/zinc/45/43/80/1036454380.db2.gz KSJVHKRBRFEXHC-GFCCVEGCSA-N 0 1 347.440 3.871 20 5 EHBDMN CC(C)N(C(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000180400962 1036754515 /nfs/dbraw/zinc/75/45/15/1036754515.db2.gz ZLJNVCQAORQPIP-HNNXBMFYSA-N 0 1 341.411 3.687 20 5 EHBDMN Cc1sc(NC(=O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1C ZINC000180446291 1036840462 /nfs/dbraw/zinc/84/04/62/1036840462.db2.gz BEQIKYJWGJWQTG-LBPRGKRZSA-N 0 1 347.440 3.871 20 5 EHBDMN CCOc1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000590659571 1036996293 /nfs/dbraw/zinc/99/62/93/1036996293.db2.gz AOZGZINAIWZBDH-INIZCTEOSA-N 0 1 341.411 3.768 20 5 EHBDMN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000057877832 1037238388 /nfs/dbraw/zinc/23/83/88/1037238388.db2.gz AWFBCLSXRIZUBW-NSHDSACASA-N 0 1 333.775 3.538 20 5 EHBDMN COc1cc(NC[C@H](c2ccccc2Cl)N(C)C)ccc1[N+](=O)[O-] ZINC000462922748 1037551997 /nfs/dbraw/zinc/55/19/97/1037551997.db2.gz DJWUEOBPVOKHGO-MRXNPFEDSA-N 0 1 349.818 3.972 20 5 EHBDMN Cc1cccc(C2(NCC(=O)Nc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000592145964 1037874613 /nfs/dbraw/zinc/87/46/13/1037874613.db2.gz HFGKBNZBWMPBNM-UHFFFAOYSA-N 0 1 339.395 3.511 20 5 EHBDMN O=[N+]([O-])c1cnccc1NC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000066797049 1038164701 /nfs/dbraw/zinc/16/47/01/1038164701.db2.gz JOLICTWDXMCYBF-UHFFFAOYSA-N 0 1 346.818 3.720 20 5 EHBDMN CC(C)c1nc([C@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n[nH]1 ZINC000536536534 1038335330 /nfs/dbraw/zinc/33/53/30/1038335330.db2.gz XYDJXITZJIBRKK-JTQLQIEISA-N 0 1 326.360 3.558 20 5 EHBDMN CCN(CCNc1cc(C)c([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000461933924 1038682502 /nfs/dbraw/zinc/68/25/02/1038682502.db2.gz HYZHHADHYGPJAH-UHFFFAOYSA-N 0 1 337.317 3.729 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000485365532 1038960073 /nfs/dbraw/zinc/96/00/73/1038960073.db2.gz WJDBKUUGGBMOQF-UHFFFAOYSA-N 0 1 342.380 3.681 20 5 EHBDMN O=[N+]([O-])c1ccc(N2CCc3cnccc32)nc1-c1ccc(F)cc1 ZINC000485410523 1039036094 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O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CNC2(C3CCC3)CC2)o1 ZINC000878808105 1137728658 /nfs/dbraw/zinc/72/86/58/1137728658.db2.gz YHIRUZBUMDNZLC-UHFFFAOYSA-N 0 1 348.790 3.721 20 5 EHBDMN O=[N+]([O-])c1ccc(N2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)cn1 ZINC000882831643 1137835566 /nfs/dbraw/zinc/83/55/66/1137835566.db2.gz MKAYNAIUGKAGSF-HNNXBMFYSA-N 0 1 349.394 3.764 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883200700 1137848314 /nfs/dbraw/zinc/84/83/14/1137848314.db2.gz PHXYLWYPVKNNGG-LJQANCHMSA-N 0 1 344.386 3.991 20 5 EHBDMN Cc1noc(C(F)F)c1C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000800143864 1137899387 /nfs/dbraw/zinc/89/93/87/1137899387.db2.gz MYIKPJFVRJNTFW-UHFFFAOYSA-N 0 1 329.234 3.529 20 5 EHBDMN CO[C@@H](c1ccccc1Cl)[C@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886116918 1138048501 /nfs/dbraw/zinc/04/85/01/1138048501.db2.gz VLEWLHJSIRRXRH-XHDPSFHLSA-N 0 1 335.791 3.509 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(CNC2(C3CC3)CCC2)o1 ZINC000887148610 1138223213 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COc1ccc(CN[C@H](C)c2cnn(C(C)(C)C)c2C)cc1[N+](=O)[O-] ZINC000276356889 1021089731 /nfs/dbraw/zinc/08/97/31/1021089731.db2.gz MEMJKPVEPQYWAA-GFCCVEGCSA-N 0 1 346.431 3.714 20 5 EHBDMN CCCn1c2cc(F)ccc2nc1-c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000436998759 1021469098 /nfs/dbraw/zinc/46/90/98/1021469098.db2.gz YYNSUDPGBWAJHA-UHFFFAOYSA-N 0 1 345.330 3.875 20 5 EHBDMN Cc1ccc(NS(=O)(=O)c2csc3ccccc32)cc1[N+](=O)[O-] ZINC000506595574 1021486173 /nfs/dbraw/zinc/48/61/73/1021486173.db2.gz QJNOZCNANZVMCD-UHFFFAOYSA-N 0 1 348.405 3.919 20 5 EHBDMN COC1(C)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602590469 1032989162 /nfs/dbraw/zinc/98/91/62/1032989162.db2.gz IMJPVIGXCGHWID-UHFFFAOYSA-N 0 1 332.322 3.615 20 5 EHBDMN Cc1ccc(NC(=O)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000610538827 1021807373 /nfs/dbraw/zinc/80/73/73/1021807373.db2.gz FGPSVDJXPRLJQG-GFCCVEGCSA-N 0 1 347.802 3.846 20 5 EHBDMN CC(C)(c1nc(-c2ccn3cncc3c2)no1)c1ccccc1[N+](=O)[O-] ZINC000426570729 1021945624 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COc1c(O)ccc(CN[C@@H]2CCCc3c(F)cccc32)c1[N+](=O)[O-] ZINC000894659304 1022691568 /nfs/dbraw/zinc/69/15/68/1022691568.db2.gz QTKOOAJOSMHQRF-OAHLLOKOSA-N 0 1 346.358 3.615 20 5 EHBDMN CC1(C)C[C@H](O)CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602683108 1033082364 /nfs/dbraw/zinc/08/23/64/1033082364.db2.gz IHLDWNGDWSHWMD-CYBMUJFWSA-N 0 1 346.349 3.597 20 5 EHBDMN Cc1cccc2ncc(CN(Cc3ccc([N+](=O)[O-])cc3)C(C)C)n21 ZINC000507186519 1023169503 /nfs/dbraw/zinc/16/95/03/1023169503.db2.gz FTQKWIWWWUAPSW-UHFFFAOYSA-N 0 1 338.411 3.962 20 5 EHBDMN COc1ccc(C[C@@H](C)CN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000536417720 1023240270 /nfs/dbraw/zinc/24/02/70/1023240270.db2.gz XYVZCDZIYCUYPL-CYBMUJFWSA-N 0 1 334.441 3.976 20 5 EHBDMN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000065208837 1023916774 /nfs/dbraw/zinc/91/67/74/1023916774.db2.gz JZXXORFGTRGUQN-UHFFFAOYSA-N 0 1 326.805 3.821 20 5 EHBDMN CC(C)c1ccc([C@@H](NCc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1 ZINC000602797885 1033172234 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/nfs/dbraw/zinc/49/25/45/1129492545.db2.gz DFTCOBWYXOJIAK-LSDHHAIUSA-N 0 1 333.432 3.742 20 5 EHBDMN C[C@@H](NCc1cc2c(c(Cl)c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000391136523 1129651629 /nfs/dbraw/zinc/65/16/29/1129651629.db2.gz PXTXYPPTFQLPDO-SNVBAGLBSA-N 0 1 334.759 3.828 20 5 EHBDMN CCC[C@@H](NCc1ccccc1OCCO)c1cccc([N+](=O)[O-])c1 ZINC000162904140 1129911554 /nfs/dbraw/zinc/91/15/54/1129911554.db2.gz WJNMUSXYSXVTMN-GOSISDBHSA-N 0 1 344.411 3.597 20 5 EHBDMN CC(=O)c1ccc(NC[C@H](c2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000007982544 1129994836 /nfs/dbraw/zinc/99/48/36/1129994836.db2.gz MLBYRBOPKNQJJG-GOSISDBHSA-N 0 1 327.384 3.512 20 5 EHBDMN C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)N1CCc1ccc([N+](=O)[O-])cc1 ZINC000731892953 1130857978 /nfs/dbraw/zinc/85/79/78/1130857978.db2.gz LDMRXZVQNJNGRD-JXXFODFXSA-N 0 1 340.423 3.988 20 5 EHBDMN Cc1ccc(CN[C@@H](Cn2cccn2)c2ccccc2)cc1[N+](=O)[O-] ZINC000741259382 1131591207 /nfs/dbraw/zinc/59/12/07/1131591207.db2.gz XFNDROUAAUDXRZ-SFHVURJKSA-N 0 1 336.395 3.631 20 5 EHBDMN Cc1n[nH]cc1-c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001212678479 1131821859 /nfs/dbraw/zinc/82/18/59/1131821859.db2.gz BGLJXLLNXANGLN-UHFFFAOYSA-N 0 1 328.335 3.532 20 5 EHBDMN CN(Cc1c2ccccc2cc2ccccc21)C(=O)Cc1c[nH]cn1 ZINC001176831760 1133004735 /nfs/dbraw/zinc/00/47/35/1133004735.db2.gz WTMFWILDKSCUSI-UHFFFAOYSA-N 0 1 329.403 3.917 20 5 EHBDMN O=[N+]([O-])c1cccc(Br)c1CNc1ccc2nc[nH]c2c1 ZINC001178689538 1133191096 /nfs/dbraw/zinc/19/10/96/1133191096.db2.gz ZEBORXLZWZONPK-UHFFFAOYSA-N 0 1 347.172 3.846 20 5 EHBDMN O=[N+]([O-])c1cccc(Br)c1CNC[C@H]1CCCC1(F)F ZINC001178745999 1133194632 /nfs/dbraw/zinc/19/46/32/1133194632.db2.gz BIVHCWDNRSPHDP-SECBINFHSA-N 0 1 349.175 3.882 20 5 EHBDMN CCSc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768882181 1133196366 /nfs/dbraw/zinc/19/63/66/1133196366.db2.gz RYNOHLPZRUCGFF-UHFFFAOYSA-N 0 1 344.439 3.569 20 5 EHBDMN CCC[C@](C)(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC001180684915 1133407062 /nfs/dbraw/zinc/40/70/62/1133407062.db2.gz ZXQSFFZJOGEYKM-SFHVURJKSA-N 0 1 328.368 3.746 20 5 EHBDMN O=c1[nH]c2ccccc2cc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001184397286 1133934514 /nfs/dbraw/zinc/93/45/14/1133934514.db2.gz CGBSSJYMTVPTLP-UHFFFAOYSA-N 0 1 343.770 3.792 20 5 EHBDMN COc1cccc2c1OCC[C@@H]2NCc1cccc([N+](=O)[O-])c1C ZINC000790693331 1134453652 /nfs/dbraw/zinc/45/36/52/1134453652.db2.gz AXXHKPVEIHZADP-HNNXBMFYSA-N 0 1 328.368 3.525 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](C(C)(C)C)CC1 ZINC001191021192 1134780286 /nfs/dbraw/zinc/78/02/86/1134780286.db2.gz DAZBLCHIECJCOV-HNNXBMFYSA-N 0 1 347.459 3.990 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]1COc1ccccc1 ZINC001170650174 1136158237 /nfs/dbraw/zinc/15/82/37/1136158237.db2.gz GBTYQVHLELJIMK-INIZCTEOSA-N 0 1 330.359 3.777 20 5 EHBDMN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776597658 1136459336 /nfs/dbraw/zinc/45/93/36/1136459336.db2.gz JRQSRFKYPXMKRF-NQCMUKECSA-N 0 1 344.386 3.775 20 5 EHBDMN COc1cc(CN[C@@H](C)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000852782791 1136486557 /nfs/dbraw/zinc/48/65/57/1136486557.db2.gz WEVKHNLPUGAFTH-ZDUSSCGKSA-N 0 1 342.395 3.779 20 5 EHBDMN C[C@@H](NCc1ccccc1OC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815593607 1136616460 /nfs/dbraw/zinc/61/64/60/1136616460.db2.gz RQIJRUUJDWAXCO-CYBMUJFWSA-N 0 1 341.411 3.959 20 5 EHBDMN C[C@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860093523 1137044070 /nfs/dbraw/zinc/04/40/70/1137044070.db2.gz CSSSCTKJTPVJBS-OLZOCXBDSA-N 0 1 337.420 3.501 20 5 EHBDMN CCOc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000339065993 1137217369 /nfs/dbraw/zinc/21/73/69/1137217369.db2.gz DIIPLWWPMGGKCH-LBPRGKRZSA-N 0 1 346.383 3.559 20 5 EHBDMN CCOc1ccccc1[C@@H](CC)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339067608 1137224261 /nfs/dbraw/zinc/22/42/61/1137224261.db2.gz AXSDHIBODPCVMT-MRXNPFEDSA-N 0 1 330.384 3.940 20 5 EHBDMN COc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)ccc1SC ZINC000865786516 1137311585 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EHBDMN CC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000872132551 1137573252 /nfs/dbraw/zinc/57/32/52/1137573252.db2.gz IPLUKQGJPCMHKG-QITLCBANSA-N 0 1 332.375 3.897 20 5 EHBDMN Cc1ccnc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)c1[N+](=O)[O-] ZINC000872648573 1137582578 /nfs/dbraw/zinc/58/25/78/1137582578.db2.gz NTWRMJMRFGTTTH-CYBMUJFWSA-N 0 1 329.404 3.529 20 5 EHBDMN Cc1c(CNCc2cccc(OCC(F)F)c2)cccc1[N+](=O)[O-] ZINC000873046125 1137588861 /nfs/dbraw/zinc/58/88/61/1137588861.db2.gz OKKABLFFFRUKPE-UHFFFAOYSA-N 0 1 336.338 3.837 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCOc2c(F)cccc21 ZINC000873112160 1137590373 /nfs/dbraw/zinc/59/03/73/1137590373.db2.gz PCXZVOGSSVMLDO-MRXNPFEDSA-N 0 1 330.359 3.964 20 5 EHBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC=CC[C@H]3C(F)(F)F)nc2c1 ZINC000877760317 1137688438 /nfs/dbraw/zinc/68/84/38/1137688438.db2.gz FDHRNVWODBDCPF-GHMZBOCLSA-N 0 1 341.289 3.723 20 5 EHBDMN CCC[C@@H]1CCCCN1Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878427999 1137715504 /nfs/dbraw/zinc/71/55/04/1137715504.db2.gz PLTZDNDLXKBKFI-CYBMUJFWSA-N 0 1 330.388 3.799 20 5 EHBDMN CC(C)(C)C[C@H]1CCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000878693648 1137725388 /nfs/dbraw/zinc/72/53/88/1137725388.db2.gz XKTYZLHFFWPAHT-CYBMUJFWSA-N 0 1 344.415 3.903 20 5 EHBDMN CC(C)c1nc([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000331985491 1137927702 /nfs/dbraw/zinc/92/77/02/1137927702.db2.gz YRLNBRZCSKOUNA-OAHLLOKOSA-N 0 1 347.394 3.703 20 5 EHBDMN CCOc1cccc(N2CCC(c3nc(C)c(C)[nH]3)CC2)c1[N+](=O)[O-] ZINC000884706492 1137969487 /nfs/dbraw/zinc/96/94/87/1137969487.db2.gz DXWOKYAGVRBMAZ-UHFFFAOYSA-N 0 1 344.415 3.717 20 5 EHBDMN COc1cc(N2CCC(c3nc(C)c(C)[nH]3)CC2)c([N+](=O)[O-])cc1C ZINC000884706989 1137969797 /nfs/dbraw/zinc/96/97/97/1137969797.db2.gz UYUQSWXFRCVACK-UHFFFAOYSA-N 0 1 344.415 3.636 20 5 EHBDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886229367 1138061370 /nfs/dbraw/zinc/06/13/70/1138061370.db2.gz ONNZXVJDZOMKCW-SNVBAGLBSA-N 0 1 345.790 3.713 20 5 EHBDMN Cc1cc([C@H]2CCCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)[nH]n1 ZINC000282961662 1138089261 /nfs/dbraw/zinc/08/92/61/1138089261.db2.gz HXHIAQCPNJMODN-ZDUSSCGKSA-N 0 1 334.807 3.659 20 5 EHBDMN CCOc1ccc([C@@H](C)NCc2cccc(COC)c2)cc1[N+](=O)[O-] ZINC000152951539 1139115364 /nfs/dbraw/zinc/11/53/64/1139115364.db2.gz ZWIYVMIRVMRSSO-CQSZACIVSA-N 0 1 344.411 3.991 20 5 EHBDMN Cc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178689260 1139711614 /nfs/dbraw/zinc/71/16/14/1139711614.db2.gz JMNYCNNIRYWATC-HUUCEWRRSA-N 0 1 341.411 3.889 20 5 EHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCS[C@H](C)CC1 ZINC000192175632 1140508170 /nfs/dbraw/zinc/50/81/70/1140508170.db2.gz ZPILTHLLYYXTRN-NEPJUHHUSA-N 0 1 348.428 3.533 20 5 EHBDMN CCc1noc(CC)c1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192945509 1140556650 /nfs/dbraw/zinc/55/66/50/1140556650.db2.gz GCAYHNFEAKBSGW-QGZVFWFLSA-N 0 1 329.400 3.875 20 5 EHBDMN C[C@@H](Nc1cccc(N2CCC[NH+]=C2[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000266584590 1140705239 /nfs/dbraw/zinc/70/52/39/1140705239.db2.gz MHOJQOFDKMIBPA-CYBMUJFWSA-N 0 1 340.383 3.688 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000269338293 1141095650 /nfs/dbraw/zinc/09/56/50/1141095650.db2.gz BRLXSDFZUVMDSH-GFCCVEGCSA-N 0 1 348.790 3.682 20 5 EHBDMN CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593742428 974986391 /nfs/dbraw/zinc/98/63/91/974986391.db2.gz LRMQUFUUCVKFKV-ZBFHGGJFSA-N 0 1 346.427 3.941 20 5 EHBDMN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901521653 980338309 /nfs/dbraw/zinc/33/83/09/980338309.db2.gz DJNLDFKPWZOAAE-GFCCVEGCSA-N 0 1 340.807 3.571 20 5 EHBDMN CC[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1OC ZINC001595299244 980425426 /nfs/dbraw/zinc/42/54/26/980425426.db2.gz NKCVTPILEONLNW-HNNXBMFYSA-N 0 1 344.367 3.543 20 5 EHBDMN CCc1oc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)cc1C(=O)[O-] ZINC000902515528 980916716 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ZINC000172269371 1127865376 /nfs/dbraw/zinc/86/53/76/1127865376.db2.gz VGWJLXZGJVGUIZ-HNNXBMFYSA-N 0 1 349.456 3.605 20 5 EHBDMN COc1cc(F)cc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193066661 1120887779 /nfs/dbraw/zinc/88/77/79/1120887779.db2.gz YKEBUXIWSSTDKR-SFHVURJKSA-N 0 1 330.359 3.910 20 5 EHBDMN CC(C)c1nc([C@H](C)Nc2nc3ccc([N+](=O)[O-])cc3s2)n[nH]1 ZINC000762571640 1121358587 /nfs/dbraw/zinc/35/85/87/1121358587.db2.gz WLLILAUABZGXEX-QMMMGPOBSA-N 0 1 332.389 3.619 20 5 EHBDMN CCc1[nH]nc(C(=O)N(Cc2ccccc2)CC(C)(C)C)c1[N+](=O)[O-] ZINC000444189552 1121519946 /nfs/dbraw/zinc/51/99/46/1121519946.db2.gz VOWYVLSIMAIXOS-UHFFFAOYSA-N 0 1 344.415 3.569 20 5 EHBDMN Cc1cc2ncc([C@H](C)N[C@@H](C)c3cccc([N+](=O)[O-])c3)c(C)n2n1 ZINC000193903210 1121727086 /nfs/dbraw/zinc/72/70/86/1121727086.db2.gz HSLJZSXPKWQIBO-STQMWFEESA-N 0 1 339.399 3.666 20 5 EHBDMN COc1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000609233214 1121789866 /nfs/dbraw/zinc/78/98/66/1121789866.db2.gz BRPLVNLRKDIJNZ-IBGZPJMESA-N 0 1 342.395 3.567 20 5 EHBDMN CC(C)N(Cc1cccc(F)c1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000919950524 1123243253 /nfs/dbraw/zinc/24/32/53/1123243253.db2.gz JZVTVMFBAZLQPR-UHFFFAOYSA-N 0 1 342.374 3.952 20 5 EHBDMN Cc1ccc(-c2cc(C(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH]n2)o1 ZINC000920154789 1123316170 /nfs/dbraw/zinc/31/61/70/1123316170.db2.gz DEXCTXSGDGEAOK-NSHDSACASA-N 0 1 341.323 3.804 20 5 EHBDMN CC(C)(C)OCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609598568 1123625365 /nfs/dbraw/zinc/62/53/65/1123625365.db2.gz AENLPZNQQOTQFD-UHFFFAOYSA-N 0 1 335.429 3.623 20 5 EHBDMN Cc1cc(S(=O)(=O)Nc2cccc(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000609657911 1123636507 /nfs/dbraw/zinc/63/65/07/1123636507.db2.gz RGGSSOQXGKFWSY-UHFFFAOYSA-N 0 1 334.397 3.827 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800456 1123664450 /nfs/dbraw/zinc/66/44/50/1123664450.db2.gz IAUKTFPEVYRCJR-GOSISDBHSA-N 0 1 344.436 3.764 20 5 EHBDMN CCc1ccc([C@@H]2CCCCCN2C(=O)c2n[nH]c(C)c2[N+](=O)[O-])o1 ZINC000610068582 1123725982 /nfs/dbraw/zinc/72/59/82/1123725982.db2.gz OONDYILWRRZCSJ-ZDUSSCGKSA-N 0 1 346.387 3.539 20 5 EHBDMN Cc1cc(N2CCC(c3[nH]cc[nH+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272809810 1124636900 /nfs/dbraw/zinc/63/69/00/1124636900.db2.gz GTNMKCOQJRJXBO-UHFFFAOYSA-N 0 1 337.383 3.559 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000181842302 1125058255 /nfs/dbraw/zinc/05/82/55/1125058255.db2.gz FIKMGIJLALGOEA-SNVBAGLBSA-N 0 1 342.321 3.506 20 5 EHBDMN CC(C)[C@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000114729157 1129187396 /nfs/dbraw/zinc/18/73/96/1129187396.db2.gz UOPMUACJAMYWAQ-AWEZNQCLSA-N 0 1 344.415 3.903 20 5 EHBDMN CCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000079724071 1129289699 /nfs/dbraw/zinc/28/96/99/1129289699.db2.gz KXGBNCQBUTUPKU-ZDUSSCGKSA-N 0 1 330.384 3.853 20 5 EHBDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001128471143 1129340409 /nfs/dbraw/zinc/34/04/09/1129340409.db2.gz SMBQRLBKNNYBNG-OAGGEKHMSA-N 0 1 336.819 3.695 20 5 EHBDMN Cc1cc(N[C@@H]2c3ccccc3C[C@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000302140664 1129770106 /nfs/dbraw/zinc/77/01/06/1129770106.db2.gz FGXSZLZJZSLTOV-RTBURBONSA-N 0 1 335.363 3.522 20 5 EHBDMN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1 ZINC000055508049 1129772300 /nfs/dbraw/zinc/77/23/00/1129772300.db2.gz UKRPGTOWPCWGDZ-UHFFFAOYSA-N 0 1 340.788 3.666 20 5 EHBDMN Cc1ccc(-c2cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)[nH]n2)o1 ZINC000350880484 1129791238 /nfs/dbraw/zinc/79/12/38/1129791238.db2.gz RATJHBRDNXBEEI-UHFFFAOYSA-N 0 1 343.324 3.665 20 5 EHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 ZINC000056197311 1129805811 /nfs/dbraw/zinc/80/58/11/1129805811.db2.gz HPESGXKJIMDFPN-VXGBXAGGSA-N 0 1 347.802 3.926 20 5 EHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1[nH]nc2ccccc21 ZINC000056988241 1129866397 /nfs/dbraw/zinc/86/63/97/1129866397.db2.gz NKWYRKWRJZFXIO-UHFFFAOYSA-N 0 1 338.367 3.522 20 5 EHBDMN O=c1ccc2c([nH]1)CCC[C@H]2NCc1cc([N+](=O)[O-])ccc1Cl ZINC000731451199 1130797912 /nfs/dbraw/zinc/79/79/12/1130797912.db2.gz BYQUYSJFKLJCLP-CQSZACIVSA-N 0 1 333.775 3.516 20 5 EHBDMN CC(C)[C@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742152848 1131693726 /nfs/dbraw/zinc/69/37/26/1131693726.db2.gz KGKYNIYGTJBVMI-HNNXBMFYSA-N 0 1 343.431 3.569 20 5 EHBDMN CC[C@H](NCc1csc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000742715069 1131784973 /nfs/dbraw/zinc/78/49/73/1131784973.db2.gz RAYZFNPIKSSNKM-WFASDCNBSA-N 0 1 342.367 3.536 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N1CCC(F)(F)[C@H](F)C1)CC2 ZINC001172902664 1131884734 /nfs/dbraw/zinc/88/47/34/1131884734.db2.gz BNIHHPWTUTVLRW-DZGCQCFKSA-N 0 1 328.334 3.521 20 5 EHBDMN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000743862453 1131989397 /nfs/dbraw/zinc/98/93/97/1131989397.db2.gz DEMKCYQEUKGLHB-NSHDSACASA-N 0 1 345.226 3.632 20 5 EHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1F ZINC001176037133 1132826840 /nfs/dbraw/zinc/82/68/40/1132826840.db2.gz RFYBHTHBJAUJLH-QWRGUYRKSA-N 0 1 349.337 3.551 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(Cl)nc3)CC2)cc1 ZINC000773665538 1133062258 /nfs/dbraw/zinc/06/22/58/1133062258.db2.gz MAPQQNADQWLJKR-UHFFFAOYSA-N 0 1 329.787 3.933 20 5 EHBDMN COc1cc(F)c([N+](=O)[O-])c(Sc2nc(-c3ccccc3)n[nH]2)c1 ZINC000771025175 1133500603 /nfs/dbraw/zinc/50/06/03/1133500603.db2.gz IDBZBERGBMJVNO-UHFFFAOYSA-N 0 1 346.343 3.679 20 5 EHBDMN Cc1c(NC(=O)[C@H](C)N2CCC[C@H](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC001192199960 1134979323 /nfs/dbraw/zinc/97/93/23/1134979323.db2.gz PXVCSAZDSWHBLK-JKSUJKDBSA-N 0 1 347.459 3.988 20 5 EHBDMN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)cc1 ZINC001193932697 1135201417 /nfs/dbraw/zinc/20/14/17/1135201417.db2.gz RLJPSAMBSKZFRR-GDBMZVCRSA-N 0 1 326.396 3.987 20 5 EHBDMN Cn1cc(CN2CCC[C@]2(C)Cc2cccc(Cl)c2)c([N+](=O)[O-])n1 ZINC001195758876 1135461221 /nfs/dbraw/zinc/46/12/21/1135461221.db2.gz WWDQJCRDEOLTOE-QGZVFWFLSA-N 0 1 348.834 3.579 20 5 EHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](c1cccs1)N(C)C ZINC000807916365 1135588631 /nfs/dbraw/zinc/58/86/31/1135588631.db2.gz SAPLZVUDEXTIPQ-HNNXBMFYSA-N 0 1 333.413 3.574 20 5 EHBDMN CN(Cc1cccc(C(F)(F)F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338912298 1136153833 /nfs/dbraw/zinc/15/38/33/1136153833.db2.gz CGLOXODULWAGTF-UHFFFAOYSA-N 0 1 340.301 3.951 20 5 EHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C3CCC3)c2)cs1 ZINC000812272564 1136190693 /nfs/dbraw/zinc/19/06/93/1136190693.db2.gz LHXXSJTYYFTJQV-UHFFFAOYSA-N 0 1 338.410 3.725 20 5 EHBDMN CC(C)c1ccc(CN[C@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850371579 1136243618 /nfs/dbraw/zinc/24/36/18/1136243618.db2.gz KWOOMYAXINGONG-HKUYNNGSSA-N 0 1 326.396 3.986 20 5 EHBDMN CCN(Cc1ccc2c(c1)OCO2)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000216719486 1136378278 /nfs/dbraw/zinc/37/82/78/1136378278.db2.gz XKOPXSPGDSVWOT-ZDUSSCGKSA-N 0 1 328.368 3.907 20 5 EHBDMN O=[N+]([O-])c1ccc([C@H](O)CN2CC3(CCCC3)[C@H]2c2ccco2)cc1 ZINC000852427126 1136455276 /nfs/dbraw/zinc/45/52/76/1136455276.db2.gz STCNJWMFCBFGOL-SJLPKXTDSA-N 0 1 342.395 3.839 20 5 EHBDMN O=C([O-])[C@]12COC[C@H]1C[N@@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC000854240912 1136600577 /nfs/dbraw/zinc/60/05/77/1136600577.db2.gz FAKDTYQSGGCRIS-VGOFRKELSA-N 0 1 347.414 3.526 20 5 EHBDMN Cc1ccccc1[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000339005762 1136897997 /nfs/dbraw/zinc/89/79/97/1136897997.db2.gz WYGQYWFYKDMXCX-LIRRHRJNSA-N 0 1 342.395 3.571 20 5 EHBDMN C[C@H]1c2cc(F)cc(F)c2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339016795 1136997951 /nfs/dbraw/zinc/99/79/51/1136997951.db2.gz GVMJTULPULYOAH-JTQLQIEISA-N 0 1 334.322 3.698 20 5 EHBDMN C[C@H](CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000780764767 1137017376 /nfs/dbraw/zinc/01/73/76/1137017376.db2.gz QLBRYPXKDTYYPJ-CZUORRHYSA-N 0 1 330.432 3.690 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cc2c([nH]c1=O)CCCC2 ZINC000866641388 1137372082 /nfs/dbraw/zinc/37/20/82/1137372082.db2.gz SWNJOJLLTBUPBO-ZDUSSCGKSA-N 0 1 341.411 3.733 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2cc3c([nH]c2=O)CCCC3)cc1[N+](=O)[O-] ZINC000866640796 1137372124 /nfs/dbraw/zinc/37/21/24/1137372124.db2.gz MQZTVLOZSPPGGV-CYBMUJFWSA-N 0 1 341.411 3.733 20 5 EHBDMN C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872033254 1137566687 /nfs/dbraw/zinc/56/66/87/1137566687.db2.gz CAQLAQNRBJFWHW-PSVSLLHZSA-N 0 1 336.338 3.646 20 5 EHBDMN C[C@H](NCC1([C@@H](O)c2ccccc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052594 1137568172 /nfs/dbraw/zinc/56/81/72/1137568172.db2.gz PJFCIJCSPRBKJE-UGSOOPFHSA-N 0 1 344.386 3.898 20 5 EHBDMN CC(C)c1cc([C@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)[nH]n1 ZINC000872649232 1137582532 /nfs/dbraw/zinc/58/25/32/1137582532.db2.gz UOKPENQLAQIVFQ-NSHDSACASA-N 0 1 349.822 3.874 20 5 EHBDMN C[C@@H]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)[C@H]1C ZINC000878165124 1137705376 /nfs/dbraw/zinc/70/53/76/1137705376.db2.gz RPXACHOXKHZGFK-ZJUUUORDSA-N 0 1 336.779 3.529 20 5 EHBDMN Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)cc1[N+](=O)[O-] ZINC000878904335 1137731640 /nfs/dbraw/zinc/73/16/40/1137731640.db2.gz LJALWGDTVZAHQZ-QGZVFWFLSA-N 0 1 348.406 3.836 20 5 EHBDMN COc1ccc(C2CC2)cc1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000883257790 1137850892 /nfs/dbraw/zinc/85/08/92/1137850892.db2.gz KRBYDPXQPIDFOS-UHFFFAOYSA-N 0 1 342.395 3.779 20 5 EHBDMN CC(C)c1nc([C@@H]2CCCCN2Cc2csc([N+](=O)[O-])c2)n[nH]1 ZINC000331668281 1137916385 /nfs/dbraw/zinc/91/63/85/1137916385.db2.gz UERZJRUZNZSSFW-LBPRGKRZSA-N 0 1 335.433 3.625 20 5 EHBDMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000331824705 1137922101 /nfs/dbraw/zinc/92/21/01/1137922101.db2.gz QAKPTFDMNZWLRR-GUYCJALGSA-N 0 1 328.416 3.843 20 5 EHBDMN CO[C@H](c1ccccc1Cl)[C@@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000886116915 1138048353 /nfs/dbraw/zinc/04/83/53/1138048353.db2.gz VLEWLHJSIRRXRH-ABAIWWIYSA-N 0 1 335.791 3.509 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EHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C(C)C ZINC000096970080 1026131547 /nfs/dbraw/zinc/13/15/47/1026131547.db2.gz UDUBVDDKRNUCGQ-UHFFFAOYSA-N 0 1 341.411 3.752 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cnc3n1CCCC3)CCCC2 ZINC000520203575 1027101625 /nfs/dbraw/zinc/10/16/25/1027101625.db2.gz QYICRIZCLXCAJS-GOSISDBHSA-N 0 1 340.427 3.685 20 5 EHBDMN CC[C@@H](C)n1nc(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)cc1C ZINC000413228034 1027324953 /nfs/dbraw/zinc/32/49/53/1027324953.db2.gz PVVUETDBHBNTSI-MRVPVSSYSA-N 0 1 343.309 3.650 20 5 EHBDMN CC(C)(C)c1nc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000413419428 1027689066 /nfs/dbraw/zinc/68/90/66/1027689066.db2.gz SPWLDRWBAGFKGQ-UHFFFAOYSA-N 0 1 343.309 3.641 20 5 EHBDMN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC2(C1)CCCCC2 ZINC000533426699 1027855323 /nfs/dbraw/zinc/85/53/23/1027855323.db2.gz GJQCLZLIMIRAFS-CQSZACIVSA-N 0 1 331.416 3.578 20 5 EHBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)Cc1ccsc1 ZINC000444670187 1028142152 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3.648 20 5 EHBDMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)cs1 ZINC000120080730 1014183304 /nfs/dbraw/zinc/18/33/04/1014183304.db2.gz KSWWEDFWWGRFBG-UHFFFAOYSA-N 0 1 334.378 3.610 20 5 EHBDMN Cc1oc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C(=O)[O-] ZINC000574771194 974788524 /nfs/dbraw/zinc/78/85/24/974788524.db2.gz PQTGSPMJIDNDTM-AWEZNQCLSA-N 0 1 344.367 3.574 20 5 EHBDMN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000593736576 974984126 /nfs/dbraw/zinc/98/41/26/974984126.db2.gz NMXGTONKWTYZQU-JTQLQIEISA-N 0 1 349.412 3.559 20 5 EHBDMN Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])s1 ZINC000593736576 974984131 /nfs/dbraw/zinc/98/41/31/974984131.db2.gz NMXGTONKWTYZQU-JTQLQIEISA-N 0 1 349.412 3.559 20 5 EHBDMN CC(C)[N@@H+](Cc1cccs1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733201 974984158 /nfs/dbraw/zinc/98/41/58/974984158.db2.gz ZUDAGVSCLXGDDM-UHFFFAOYSA-N 0 1 334.397 3.765 20 5 EHBDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737807 974985400 /nfs/dbraw/zinc/98/54/00/974985400.db2.gz VQGOKDNEMGNUOF-CZUORRHYSA-N 0 1 340.379 3.671 20 5 EHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccc(OC)cc1 ZINC000430223206 1015100180 /nfs/dbraw/zinc/10/01/80/1015100180.db2.gz UOUBPTZXQLGUTQ-KRWDZBQOSA-N 0 1 330.384 3.853 20 5 EHBDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC001589486702 987033417 /nfs/dbraw/zinc/03/34/17/987033417.db2.gz KZDPCEIFAXIOOQ-LBPRGKRZSA-N 0 1 344.367 3.682 20 5 EHBDMN C[N@@H+](CCSc1cc(C(=O)[O-])ccc1[N+](=O)[O-])Cc1ccccc1 ZINC001598500463 992428292 /nfs/dbraw/zinc/42/82/92/992428292.db2.gz AMPOAGHFTOGQLB-UHFFFAOYSA-N 0 1 346.408 3.517 20 5 EHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C(=O)[O-])c1Cl ZINC001598502434 992451827 /nfs/dbraw/zinc/45/18/27/992451827.db2.gz ZZFFAWKAUPIDLS-UHFFFAOYSA-N 0 1 348.786 3.621 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C[C@@H](C)c1ccccc1 ZINC000066854381 1015778670 /nfs/dbraw/zinc/77/86/70/1015778670.db2.gz RFQIALBWLPNDKF-OAHLLOKOSA-N 0 1 341.411 3.577 20 5 EHBDMN COCCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001167205911 1016582647 /nfs/dbraw/zinc/58/26/47/1016582647.db2.gz KFIIPQYEEQNHFL-UHFFFAOYSA-N 0 1 348.830 3.939 20 5 EHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccnn1C1CCCC1 ZINC000449316897 1032449902 /nfs/dbraw/zinc/44/99/02/1032449902.db2.gz QZSVWCNJJFHQDZ-UHFFFAOYSA-N 0 1 328.416 3.581 20 5 EHBDMN CC[C@@H]1CCC[C@@H]1CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000449432964 1032549638 /nfs/dbraw/zinc/54/96/38/1032549638.db2.gz KEGVHMDELQWCKD-QGPMSJSTSA-N 0 1 342.443 3.834 20 5 EHBDMN Cc1ccccc1C1(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000593038762 1032675901 /nfs/dbraw/zinc/67/59/01/1032675901.db2.gz HLFHMBLEDWEFCP-UHFFFAOYSA-N 0 1 336.395 3.949 20 5 EHBDMN CC(C)[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000549140099 1017323931 /nfs/dbraw/zinc/32/39/31/1017323931.db2.gz YTGNGXSCSHOEIJ-HNNXBMFYSA-N 0 1 344.415 3.743 20 5 EHBDMN CC1(C)C[C@H](NCc2ccc([N+](=O)[O-])cc2)c2cc(N)ccc2O1 ZINC000415025402 1017414433 /nfs/dbraw/zinc/41/44/33/1017414433.db2.gz PVYVPJOONQOXFT-INIZCTEOSA-N 0 1 327.384 3.569 20 5 EHBDMN CN(CCc1ccc(F)cc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083169221 1017751417 /nfs/dbraw/zinc/75/14/17/1017751417.db2.gz GWPFDRUQHDQYIY-UHFFFAOYSA-N 0 1 329.331 3.550 20 5 EHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccnc3)CC2)c(Cl)c1 ZINC000377602708 1018042950 /nfs/dbraw/zinc/04/29/50/1018042950.db2.gz PZUWQECYQOVZMB-UHFFFAOYSA-N 0 1 346.818 3.720 20 5 EHBDMN Cc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000091958145 1032745161 /nfs/dbraw/zinc/74/51/61/1032745161.db2.gz AMLZDCNJGAVITK-WBVHZDCISA-N 0 1 330.384 3.584 20 5 EHBDMN Cc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000091958146 1032746999 /nfs/dbraw/zinc/74/69/99/1032746999.db2.gz AMLZDCNJGAVITK-RDJZCZTQSA-N 0 1 330.384 3.584 20 5 EHBDMN Cc1ccnc([C@@H]2CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)c1 ZINC000594004997 1032757777 /nfs/dbraw/zinc/75/77/77/1032757777.db2.gz RXIOHCKYTMGYAM-CYBMUJFWSA-N 0 1 331.803 3.941 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2noc(CN3C4CCCC3CCC4)n2)cc1 ZINC000610395039 1018745260 /nfs/dbraw/zinc/74/52/60/1018745260.db2.gz PSRQIALHUKJLDN-UHFFFAOYSA-N 0 1 328.372 3.552 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@H](c2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000433775714 1019613632 /nfs/dbraw/zinc/61/36/32/1019613632.db2.gz SSWGAGMYYIHLTJ-INIZCTEOSA-N 0 1 344.415 3.911 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCc1ccccc1OC ZINC000513452107 1019700695 /nfs/dbraw/zinc/70/06/95/1019700695.db2.gz WFVONTMQWMUDRZ-UHFFFAOYSA-N 0 1 344.411 3.677 20 5 EHBDMN CO[C@@]1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000280316297 1020283291 /nfs/dbraw/zinc/28/32/91/1020283291.db2.gz PZEQFBGTNMNZFL-INIZCTEOSA-N 0 1 344.358 3.587 20 5 EHBDMN C[C@H]1CC[C@H](N[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000513698240 1020488077 /nfs/dbraw/zinc/48/80/77/1020488077.db2.gz YCIDRNROHROWBT-FRFSOERESA-N 0 1 328.416 3.586 20 5 EHBDMN CO[C@@H]([C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000449629111 1032929472 /nfs/dbraw/zinc/92/94/72/1032929472.db2.gz KBUXFAKJJGHEIC-BZNIZROVSA-N 0 1 347.440 3.621 20 5 EHBDMN Cc1ccc(O[C@H](C)CNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602560097 1032972323 /nfs/dbraw/zinc/97/23/23/1032972323.db2.gz IEUCDKWFYNBKKB-CYBMUJFWSA-N 0 1 341.367 3.602 20 5 EHBDMN Cc1cc(Cc2noc(-c3cc(Cl)ccc3O)n2)ccc1[N+](=O)[O-] ZINC000436949061 1021410899 /nfs/dbraw/zinc/41/08/99/1021410899.db2.gz JLCTVKRSQMUGHR-UHFFFAOYSA-N 0 1 345.742 3.903 20 5 EHBDMN COc1ccc(CNCc2ccc3[nH]c(C)c(C)c3c2)cc1[N+](=O)[O-] ZINC000518781989 1021568715 /nfs/dbraw/zinc/56/87/15/1021568715.db2.gz HAGCYJAYGSPYOC-UHFFFAOYSA-N 0 1 339.395 3.991 20 5 EHBDMN COc1ccc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000506771382 1021984893 /nfs/dbraw/zinc/98/48/93/1021984893.db2.gz DSJQZFIHRQDWHS-VURMDHGXSA-N 0 1 342.395 3.757 20 5 EHBDMN CCc1ccc([C@H](N[C@H]2CC[C@H](OC)C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000471788851 1022206056 /nfs/dbraw/zinc/20/60/56/1022206056.db2.gz QSPZOHFOXBKDMY-UCLAIMLFSA-N 0 1 344.411 3.997 20 5 EHBDMN COc1ccc2c(c1)[C@H](NCc1ccc([N+](=O)[O-])cc1C)CCO2 ZINC000341552051 1022292162 /nfs/dbraw/zinc/29/21/62/1022292162.db2.gz LKBBZEXXRYBOIJ-QGZVFWFLSA-N 0 1 328.368 3.525 20 5 EHBDMN CCO[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602637157 1033047073 /nfs/dbraw/zinc/04/70/73/1033047073.db2.gz LDGQOVPKKBIANW-KRWDZBQOSA-N 0 1 341.367 3.603 20 5 EHBDMN COc1cc(CN(C)[C@H](C)Cc2ccc(O)cc2)c([N+](=O)[O-])cc1F ZINC000184238344 1022606354 /nfs/dbraw/zinc/60/63/54/1022606354.db2.gz STUGILVDBIETCO-GFCCVEGCSA-N 0 1 348.374 3.511 20 5 EHBDMN CC(C)(C)c1ccc(C(=O)Nc2nc(C3CCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000184640895 1023222056 /nfs/dbraw/zinc/22/20/56/1023222056.db2.gz GVJHMJIBACSJDC-UHFFFAOYSA-N 0 1 343.387 3.530 20 5 EHBDMN CC(C)(C)c1ccc(C(=O)Nc2n[nH]c(C3CCC3)n2)cc1[N+](=O)[O-] ZINC000184640895 1023222058 /nfs/dbraw/zinc/22/20/58/1023222058.db2.gz GVJHMJIBACSJDC-UHFFFAOYSA-N 0 1 343.387 3.530 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1COc2c1cccc2Cl ZINC000610707620 1023280884 /nfs/dbraw/zinc/28/08/84/1023280884.db2.gz OKBMJADMTFFZCD-DRDHIDPGSA-N 0 1 330.771 3.985 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000602730807 1033122282 /nfs/dbraw/zinc/12/22/82/1033122282.db2.gz IUIMUHWFAMLNII-MQLVUKKUSA-N 0 1 338.407 3.806 20 5 EHBDMN CC1=NO[C@@H](CNCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000895312172 1024272165 /nfs/dbraw/zinc/27/21/65/1024272165.db2.gz VDBVZNGLUGGZAV-CYBMUJFWSA-N 0 1 349.774 3.763 20 5 EHBDMN Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000522364216 1024349224 /nfs/dbraw/zinc/34/92/24/1024349224.db2.gz PLVFKDCCRHIKRL-UHFFFAOYSA-N 0 1 342.376 3.857 20 5 EHBDMN COc1cccc(NC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000110037014 1024413710 /nfs/dbraw/zinc/41/37/10/1024413710.db2.gz OKAJZFVWFMMGDA-UHFFFAOYSA-N 0 1 341.411 3.680 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425371668 1024895588 /nfs/dbraw/zinc/89/55/88/1024895588.db2.gz LOIXXGCCCVUSCF-ORUDLHBZSA-N 0 1 342.439 3.889 20 5 EHBDMN Cc1c(CC(=O)Nc2cc(F)cc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000474430416 1024954159 /nfs/dbraw/zinc/95/41/59/1024954159.db2.gz HYNKAVGUHCIBGJ-UHFFFAOYSA-N 0 1 338.722 3.583 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C[S@@](C)=O)c1ccccc1 ZINC000248617732 1025050252 /nfs/dbraw/zinc/05/02/52/1025050252.db2.gz ZLAKVNTXIXQVGM-NDGOPHNLSA-N 0 1 346.452 3.674 20 5 EHBDMN CCC[N@@H+](CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263418572 1025159205 /nfs/dbraw/zinc/15/92/05/1025159205.db2.gz ODBXWWBGXRYQED-UHFFFAOYSA-N 0 1 334.397 3.620 20 5 EHBDMN CCOc1cc(CN2CC[C@H](Cc3nccs3)C2)ccc1[N+](=O)[O-] ZINC000934333232 1025495363 /nfs/dbraw/zinc/49/53/63/1025495363.db2.gz OIFQTJGVNQHCSH-CQSZACIVSA-N 0 1 347.440 3.515 20 5 EHBDMN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000451097311 1025516088 /nfs/dbraw/zinc/51/60/88/1025516088.db2.gz DHNPWABZZBELGT-UONOGXRCSA-N 0 1 341.411 3.835 20 5 EHBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000451107859 1025542710 /nfs/dbraw/zinc/54/27/10/1025542710.db2.gz UDHOANRKZUIKGW-AWEZNQCLSA-N 0 1 327.384 3.501 20 5 EHBDMN CC(C)(C)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000530361393 1025705905 /nfs/dbraw/zinc/70/59/05/1025705905.db2.gz GPODVMNEQOTDRF-UHFFFAOYSA-N 0 1 344.415 3.903 20 5 EHBDMN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000478328263 1026064746 /nfs/dbraw/zinc/06/47/46/1026064746.db2.gz PCWOAYNCGHODCG-PIGZYNQJSA-N 0 1 336.338 3.739 20 5 EHBDMN Cc1cccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000531443671 1026926180 /nfs/dbraw/zinc/92/61/80/1026926180.db2.gz IGGZLBLMOAQKAK-LSDHHAIUSA-N 0 1 341.411 3.889 20 5 EHBDMN COCCOc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531701072 1027223414 /nfs/dbraw/zinc/22/34/14/1027223414.db2.gz GWMCGQWHBGQDAU-OAHLLOKOSA-N 0 1 344.411 3.779 20 5 EHBDMN CCCCCn1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000503270045 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329.400 3.856 20 5 EHBDMN CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC(C)(C)C1 ZINC000413982034 1028897629 /nfs/dbraw/zinc/89/76/29/1028897629.db2.gz FIGORNYZFDZRGG-UHFFFAOYSA-N 0 1 342.399 3.636 20 5 EHBDMN C[C@]1(c2ccccc2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446715753 1029769815 /nfs/dbraw/zinc/76/98/15/1029769815.db2.gz FDWDGULNQNHVQD-IBGZPJMESA-N 0 1 337.379 3.900 20 5 EHBDMN O=[N+]([O-])c1ccc2[nH]c(CNCC=Cc3ccc(F)cc3F)nc2c1 ZINC000446837809 1029805345 /nfs/dbraw/zinc/80/53/45/1029805345.db2.gz AYLIPUDMORZZLF-UPHRSURJSA-N 0 1 344.321 3.552 20 5 EHBDMN Cc1ccc([C@H](C)NCc2ccnn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000447937663 1030613716 /nfs/dbraw/zinc/61/37/16/1030613716.db2.gz BOTZOZFLDKFIOY-HNNXBMFYSA-N 0 1 336.395 3.940 20 5 EHBDMN C[C@@H](NCc1ccc(OCC2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000131392016 1031040851 /nfs/dbraw/zinc/04/08/51/1031040851.db2.gz YGNNDRSILASFPD-CYBMUJFWSA-N 0 1 327.384 3.629 20 5 EHBDMN C[C@@H](N[C@@H]1CCO[C@H]1c1ccccc1)c1c(F)cccc1[N+](=O)[O-] 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CCOc1cc(CN2CC[C@@H](Nc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000492510719 1035921247 /nfs/dbraw/zinc/92/12/47/1035921247.db2.gz HYUZUTOLYGEGJX-QGZVFWFLSA-N 0 1 341.411 3.680 20 5 EHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(O)cc2)CC2CC2)c(F)c1 ZINC000589196622 1036303489 /nfs/dbraw/zinc/30/34/89/1036303489.db2.gz OWDRHDCWAMOIBM-UHFFFAOYSA-N 0 1 330.359 3.852 20 5 EHBDMN CC1(C)CCCN1CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000572652669 1036448011 /nfs/dbraw/zinc/44/80/11/1036448011.db2.gz ZLRXOYDDGHDSML-CQSZACIVSA-N 0 1 345.365 3.662 20 5 EHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000589519801 1036489039 /nfs/dbraw/zinc/48/90/39/1036489039.db2.gz ANUWUELLRUGZPY-SDSFWRRZSA-N 0 1 346.818 3.795 20 5 EHBDMN C[C@H](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)CC(C)(C)C ZINC000609135817 1036626247 /nfs/dbraw/zinc/62/62/47/1036626247.db2.gz UQCGJYXIKMADCM-LLVKDONJSA-N 0 1 345.403 3.781 20 5 EHBDMN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cccc([O-])c3Cl)c2c1 ZINC000590192463 1036792805 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20 5 EHBDMN CC(C)c1ccc(CN2CCC(c3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC000352644042 1123064732 /nfs/dbraw/zinc/06/47/32/1123064732.db2.gz OGTDJILBBFUGLF-UHFFFAOYSA-N 0 1 328.416 3.821 20 5 EHBDMN Cn1ccnc1[C@@H](NCC1(C)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000556886825 1123166970 /nfs/dbraw/zinc/16/69/70/1123166970.db2.gz WOMQWMNSCYRYDT-KRWDZBQOSA-N 0 1 342.443 3.978 20 5 EHBDMN CCc1[nH]nc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000195411280 1123419614 /nfs/dbraw/zinc/41/96/14/1123419614.db2.gz KPEUDXBIFVZWNU-ZDUSSCGKSA-N 0 1 348.790 3.511 20 5 EHBDMN Cc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000609996923 1123708780 /nfs/dbraw/zinc/70/87/80/1123708780.db2.gz BVBQLYIETIQIAU-MLGOLLRUSA-N 0 1 342.399 3.548 20 5 EHBDMN CN1CC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000301827770 1129141921 /nfs/dbraw/zinc/14/19/21/1129141921.db2.gz FUTNLCPLXOIZSC-DOTOQJQBSA-N 0 1 333.338 3.730 20 5 EHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cnn(-c2ccncc2)c1 ZINC000615720751 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EHBDMN O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000322943095 1021475777 /nfs/dbraw/zinc/47/57/77/1021475777.db2.gz MUOVGBZQCTTXOG-MJEQTWJJSA-N 0 1 338.835 3.764 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2ccc(O)c(Cl)c2)n1 ZINC000518892284 1021654124 /nfs/dbraw/zinc/65/41/24/1021654124.db2.gz YQQMBEJQYBLXKT-UHFFFAOYSA-N 0 1 331.715 3.979 20 5 EHBDMN Cc1cc(NCc2cccc(N(C)C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302055076 1021737369 /nfs/dbraw/zinc/73/73/69/1021737369.db2.gz AHMRIDCHGACDJI-UHFFFAOYSA-N 0 1 337.383 3.525 20 5 EHBDMN CCC(=O)c1ccc(N[C@H](C)c2n[nH]c(C(C)C)n2)c([N+](=O)[O-])c1 ZINC000280772859 1022177856 /nfs/dbraw/zinc/17/78/56/1022177856.db2.gz RYWUUTJCJNEXLL-SNVBAGLBSA-N 0 1 331.376 3.602 20 5 EHBDMN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F ZINC000550105947 1022451387 /nfs/dbraw/zinc/45/13/87/1022451387.db2.gz ZDDPIWKOGZEFLY-OCCSQVGLSA-N 0 1 332.322 3.853 20 5 EHBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C(F)(F)F 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327.356 3.649 20 5 EHBDMN CSc1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)cc1[N+](=O)[O-] ZINC000445485969 1028849183 /nfs/dbraw/zinc/84/91/83/1028849183.db2.gz GSLFUNXNCLGBDD-UHFFFAOYSA-N 0 1 347.327 3.878 20 5 EHBDMN O=[N+]([O-])c1ccc(CNCc2cnc(-c3ccccc3)[nH]2)c(Cl)c1 ZINC000183806499 1029575087 /nfs/dbraw/zinc/57/50/87/1029575087.db2.gz GZRRSRXOEQDNOO-UHFFFAOYSA-N 0 1 342.786 3.928 20 5 EHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000428684486 1029926560 /nfs/dbraw/zinc/92/65/60/1029926560.db2.gz IFECZCULORAFEH-CQSZACIVSA-N 0 1 343.774 3.861 20 5 EHBDMN Cc1ccc(CN2CCC(Oc3ccncc3C)CC2)cc1[N+](=O)[O-] ZINC000447100155 1029937743 /nfs/dbraw/zinc/93/77/43/1029937743.db2.gz TWXZMUVTVRXAFL-UHFFFAOYSA-N 0 1 341.411 3.650 20 5 EHBDMN C[C@@H](CC(C)(C)C)N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000453407550 1030217851 /nfs/dbraw/zinc/21/78/51/1030217851.db2.gz DMEXAXLOFJADDH-XJKSGUPXSA-N 0 1 330.432 3.832 20 5 EHBDMN CCc1ccc([C@H](NCCCCCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000448022172 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333.319 3.512 20 5 EHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)nc1 ZINC000052719959 1031273481 /nfs/dbraw/zinc/27/34/81/1031273481.db2.gz LRNIDFPYYJRQDE-UHFFFAOYSA-N 0 1 346.818 3.720 20 5 EHBDMN Cc1c(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000477440639 1031568629 /nfs/dbraw/zinc/56/86/29/1031568629.db2.gz SSKAOLAFOYZNOW-QGZVFWFLSA-N 0 1 340.379 3.969 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CN(C)Cc2ccccc21 ZINC000537950705 1032037640 /nfs/dbraw/zinc/03/76/40/1032037640.db2.gz JDKHDIVXJUXJAW-LIRRHRJNSA-N 0 1 325.412 3.741 20 5 EHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1CC1CCCC1 ZINC000594419549 1033386601 /nfs/dbraw/zinc/38/66/01/1033386601.db2.gz XLYVXPDCIGRFTO-ZDUSSCGKSA-N 0 1 342.399 3.656 20 5 EHBDMN CCOC(=O)c1[nH]c(C)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1C ZINC000598954356 1033608717 /nfs/dbraw/zinc/60/87/17/1033608717.db2.gz CDBSBDJXVINHIT-LBPRGKRZSA-N 0 1 345.399 3.567 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CCCO)c1ccccc1 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332.356 3.540 20 5 EHBDMN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000263382035 962539970 /nfs/dbraw/zinc/53/99/70/962539970.db2.gz BWHWLCLHRVDEPN-QGZVFWFLSA-N 0 1 340.379 3.673 20 5 EHBDMN CC(C)c1ccc(C[NH2+][C@@H](C(=O)[O-])c2cccs2)cc1[N+](=O)[O-] ZINC000426819825 974049552 /nfs/dbraw/zinc/04/95/52/974049552.db2.gz WOZYFGPBVMZOLW-OAHLLOKOSA-N 0 1 334.397 3.695 20 5 EHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000593737721 974985561 /nfs/dbraw/zinc/98/55/61/974985561.db2.gz RVZYDNOKYHMVSY-SFHVURJKSA-N 0 1 330.384 3.615 20 5 EHBDMN COc1ccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000430208122 1014954533 /nfs/dbraw/zinc/95/45/33/1014954533.db2.gz AEZZHMYTRIMAPS-GOSISDBHSA-N 0 1 342.395 3.949 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)C1(C)C ZINC000430242912 1015207586 /nfs/dbraw/zinc/20/75/86/1015207586.db2.gz YYTRFVYBVVVZBM-CYBMUJFWSA-N 0 1 332.322 3.766 20 5 EHBDMN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC000533418057 1015390743 /nfs/dbraw/zinc/39/07/43/1015390743.db2.gz POWDWVBPAHFRIX-OAHLLOKOSA-N 0 1 333.432 3.600 20 5 EHBDMN CC(=O)Nc1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154466158 1015467819 /nfs/dbraw/zinc/46/78/19/1015467819.db2.gz DFZOWWQMCFGSSR-UHFFFAOYSA-N 0 1 341.411 3.964 20 5 EHBDMN CC[C@@H]1CCCCN1C(=O)[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246995169 1016266349 /nfs/dbraw/zinc/26/63/49/1016266349.db2.gz KLEXPDKRAPYGJK-HLLBOEOZSA-N 0 1 347.459 3.733 20 5 EHBDMN CCc1ccc([C@@H](COC)N[C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449152787 1032254973 /nfs/dbraw/zinc/25/49/73/1032254973.db2.gz HFUYDTHQZZSBAY-CZUORRHYSA-N 0 1 332.400 3.659 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)N(C)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000538276621 1032264779 /nfs/dbraw/zinc/26/47/79/1032264779.db2.gz KZFJUFYQQWDBAX-HNNXBMFYSA-N 0 1 347.459 3.593 20 5 EHBDMN CC(C)O[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000459632630 1032349018 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20 5 EHBDMN Cc1ccncc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000280584643 1020511201 /nfs/dbraw/zinc/51/12/01/1020511201.db2.gz MTBTTWBXMLTULP-UHFFFAOYSA-N 0 1 325.290 3.607 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ccc(O)cc3)CC2)cc1F ZINC000276323884 1021039778 /nfs/dbraw/zinc/03/97/78/1021039778.db2.gz PGXFLFOPSWEVQD-UHFFFAOYSA-N 0 1 330.359 3.819 20 5 EHBDMN CC[C@@H](C)N(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000507676154 1021435940 /nfs/dbraw/zinc/43/59/40/1021435940.db2.gz DKYSVARXSWAXGG-OAHLLOKOSA-N 0 1 341.411 3.834 20 5 EHBDMN CSc1ccccc1[C@@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337529877 1021707121 /nfs/dbraw/zinc/70/71/21/1021707121.db2.gz CMXIHQJMFLVYKD-SNVBAGLBSA-N 0 1 332.381 3.513 20 5 EHBDMN CCc1ccc([C@H](NC[C@]2(C)CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543402325 1022076901 /nfs/dbraw/zinc/07/69/01/1022076901.db2.gz HLDLIRTTZUEUNM-MOPGFXCFSA-N 0 1 344.411 3.856 20 5 EHBDMN CC(C)N(Cc1cn(C)nc1C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000891626179 1022146624 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O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCC[C@]2(CCOC2)C1 ZINC000602682749 1033083001 /nfs/dbraw/zinc/08/30/01/1033083001.db2.gz RNNKQQLUYIBZMA-HNNXBMFYSA-N 0 1 344.333 3.616 20 5 EHBDMN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1Oc2ccccc2[C@@H]1C ZINC000509578311 1023075719 /nfs/dbraw/zinc/07/57/19/1023075719.db2.gz HFKSEQCLGDTGAR-FHGNATFXSA-N 0 1 348.349 3.916 20 5 EHBDMN COc1cc(CN2CCC3(CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000611177424 1023117591 /nfs/dbraw/zinc/11/75/91/1023117591.db2.gz KCJSGKXPTKZARG-UHFFFAOYSA-N 0 1 342.342 3.581 20 5 EHBDMN Cc1ccnc(Nc2cn(CC(C)C)nc2C(F)F)c1[N+](=O)[O-] ZINC000536389018 1023181499 /nfs/dbraw/zinc/18/14/99/1023181499.db2.gz SMVDCBRZLKEDFX-UHFFFAOYSA-N 0 1 325.319 3.832 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCn2cccc2[C@@H]1c1ccccc1 ZINC000507343025 1023255284 /nfs/dbraw/zinc/25/52/84/1023255284.db2.gz VBCYZNLEDFDCSP-FQEVSTJZSA-N 0 1 349.390 3.707 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000602729764 1033117783 /nfs/dbraw/zinc/11/77/83/1033117783.db2.gz CLMOGNKHTAMATJ-OALUTQOASA-N 0 1 326.396 3.601 20 5 EHBDMN CCC1(CC)[C@H](OC)C[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610845667 1023788548 /nfs/dbraw/zinc/78/85/48/1023788548.db2.gz DASJTARBDBJUOD-HZPDHXFCSA-N 0 1 347.415 3.762 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(CC2CC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000610921657 1023876930 /nfs/dbraw/zinc/87/69/30/1023876930.db2.gz HLABUGUPCPPBAM-UHFFFAOYSA-N 0 1 334.420 3.626 20 5 EHBDMN Cn1cc(CN[C@H](CC(C)(C)C)c2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602802208 1033175605 /nfs/dbraw/zinc/17/56/05/1033175605.db2.gz PTIAOUQZOOWOMB-OAHLLOKOSA-N 0 1 334.395 3.735 20 5 EHBDMN O=C(N[C@H](CC1CC1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000611557067 1024202060 /nfs/dbraw/zinc/20/20/60/1024202060.db2.gz RHTUKVGCJKNGAK-QGZVFWFLSA-N 0 1 326.352 3.572 20 5 EHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000602838731 1033199142 /nfs/dbraw/zinc/19/91/42/1033199142.db2.gz BPCPRJVHMYXZSY-SFHVURJKSA-N 0 1 340.427 3.717 20 5 EHBDMN CC(C)(NCc1cccc2c1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000602841607 1033216101 /nfs/dbraw/zinc/21/61/01/1033216101.db2.gz RMMVRNJAEPCRNJ-UHFFFAOYSA-N 0 1 326.396 3.692 20 5 EHBDMN CCOC(=O)C[C@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000346336821 1024659751 /nfs/dbraw/zinc/65/97/51/1024659751.db2.gz PQOGFGFSHPKIHY-ZDUSSCGKSA-N 0 1 346.383 3.628 20 5 EHBDMN C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1ccncc1 ZINC000278777449 1033230861 /nfs/dbraw/zinc/23/08/61/1033230861.db2.gz UNOQKSWEOHISDZ-JTQLQIEISA-N 0 1 325.290 3.859 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227658 1025261676 /nfs/dbraw/zinc/26/16/76/1025261676.db2.gz NUNQXHYFWUEOTB-KQIUPUNMSA-N 0 1 344.308 3.974 20 5 EHBDMN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000521415724 1025378135 /nfs/dbraw/zinc/37/81/35/1025378135.db2.gz FHFJMTQUTNHBEX-UHFFFAOYSA-N 0 1 340.788 3.611 20 5 EHBDMN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000539855504 1025389607 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EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C[C@H](C)O ZINC000447836902 1030527311 /nfs/dbraw/zinc/52/73/11/1030527311.db2.gz YOVHCEZXVBRMQT-HOCLYGCPSA-N 0 1 336.432 3.507 20 5 EHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@H](C(C)(C)C)C1 ZINC000483254979 1031066961 /nfs/dbraw/zinc/06/69/61/1031066961.db2.gz IWTQSZFLWAFKHE-KBPBESRZSA-N 0 1 333.432 3.680 20 5 EHBDMN Cc1c([C@H](C)NCC(=O)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000161106323 1031320350 /nfs/dbraw/zinc/32/03/50/1031320350.db2.gz GYZCGTFLIZJHIB-LBPRGKRZSA-N 0 1 347.802 3.846 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CN(C)Cc2ccccc21 ZINC000537950703 1032036622 /nfs/dbraw/zinc/03/66/22/1032036622.db2.gz JDKHDIVXJUXJAW-IFXJQAMLSA-N 0 1 325.412 3.741 20 5 EHBDMN Cc1nn(CN2CCS[C@H]3CCCC[C@H]32)c2cc([N+](=O)[O-])ccc12 ZINC000761292789 1033555359 /nfs/dbraw/zinc/55/53/59/1033555359.db2.gz NEMYBXOUWMBCEA-WBVHZDCISA-N 0 1 346.456 3.570 20 5 EHBDMN COc1cccc2c1CC[C@@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595022751 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EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(Nc2ccccn2)CC1 ZINC000534127728 1034167592 /nfs/dbraw/zinc/16/75/92/1034167592.db2.gz BIGVYBXDYUPMAI-CQSZACIVSA-N 0 1 326.400 3.627 20 5 EHBDMN Cc1cc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)ccc1[N+](=O)[O-] ZINC000179846351 1034769886 /nfs/dbraw/zinc/76/98/86/1034769886.db2.gz KAGCUZFSGJGJHP-UHFFFAOYSA-N 0 1 346.293 3.969 20 5 EHBDMN O=[N+]([O-])c1cccc(CN[C@@H](CCO)c2ccc(Cl)c(F)c2)c1 ZINC000601137002 1035019473 /nfs/dbraw/zinc/01/94/73/1035019473.db2.gz PIMZWJAEIQKMKY-INIZCTEOSA-N 0 1 338.766 3.601 20 5 EHBDMN COc1cc(CN2CC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000463527853 1035584339 /nfs/dbraw/zinc/58/43/39/1035584339.db2.gz UGLBIQOEGGZCQJ-CQSZACIVSA-N 0 1 330.359 3.732 20 5 EHBDMN CCOc1cc(CN(CCOC)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492376794 1035707034 /nfs/dbraw/zinc/70/70/34/1035707034.db2.gz NQHFVNKNMISEPC-UHFFFAOYSA-N 0 1 344.411 3.642 20 5 EHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccn(C)n1 ZINC000414170113 1035868303 /nfs/dbraw/zinc/86/83/03/1035868303.db2.gz BQRLWLJNMSYBOQ-QWHCGFSZSA-N 0 1 334.445 3.550 20 5 EHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)c1ccccc1 ZINC000056196820 1036138974 /nfs/dbraw/zinc/13/89/74/1036138974.db2.gz BYSRBXHYQHLBJS-QLFBSQMISA-N 0 1 341.411 3.511 20 5 EHBDMN CCc1ccc([C@H](NCC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541559824 1036432831 /nfs/dbraw/zinc/43/28/31/1036432831.db2.gz KJPAUWAIEUROQN-IFXJQAMLSA-N 0 1 344.411 3.856 20 5 EHBDMN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)CO1 ZINC000464838372 1036853828 /nfs/dbraw/zinc/85/38/28/1036853828.db2.gz VLLSUFCBEVSJAC-HNAYVOBHSA-N 0 1 326.396 3.599 20 5 EHBDMN O=[N+]([O-])c1ccc(CNCc2cnn(CC3CCC3)c2)cc1Cl ZINC000897431148 1036902575 /nfs/dbraw/zinc/90/25/75/1036902575.db2.gz APQOMBRNTIEOKH-UHFFFAOYSA-N 0 1 334.807 3.535 20 5 EHBDMN CCOc1ccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000590659572 1036996204 /nfs/dbraw/zinc/99/62/04/1036996204.db2.gz AOZGZINAIWZBDH-MRXNPFEDSA-N 0 1 341.411 3.768 20 5 EHBDMN Cc1c(Cc2noc([C@H](C)N3[C@@H](C)CC[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000443211340 1037130393 /nfs/dbraw/zinc/13/03/93/1037130393.db2.gz DNHIBTPKYBEHNG-OBJOEFQTSA-N 0 1 344.415 3.811 20 5 EHBDMN C[C@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)N1[C@H](C)CC[C@H]1C ZINC000443217774 1037224501 /nfs/dbraw/zinc/22/45/01/1037224501.db2.gz DOOIJPBCNHJQAK-JHJVBQTASA-N 0 1 330.388 3.502 20 5 EHBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000591269577 1037312874 /nfs/dbraw/zinc/31/28/74/1037312874.db2.gz CMYGMGXMFTZNIT-ZDUSSCGKSA-N 0 1 344.367 3.542 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000171128941 1037463605 /nfs/dbraw/zinc/46/36/05/1037463605.db2.gz QBOSJICQNUATGU-LJQANCHMSA-N 0 1 340.379 3.607 20 5 EHBDMN COc1ccc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000412039226 1037588506 /nfs/dbraw/zinc/58/85/06/1037588506.db2.gz JZZOWRBBTNWPJB-UHFFFAOYSA-N 0 1 336.775 3.594 20 5 EHBDMN COc1ccc(C[N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000103144478 1037774365 /nfs/dbraw/zinc/77/43/65/1037774365.db2.gz PDHNTTANFFEBPE-UHFFFAOYSA-N 0 1 330.384 3.552 20 5 EHBDMN COc1ccc(CN(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1C ZINC000103144478 1037774382 /nfs/dbraw/zinc/77/43/82/1037774382.db2.gz PDHNTTANFFEBPE-UHFFFAOYSA-N 0 1 330.384 3.552 20 5 EHBDMN CSCc1cnc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897465076 1037873602 /nfs/dbraw/zinc/87/36/02/1037873602.db2.gz SINMAMYLGQOPDE-NSHDSACASA-N 0 1 337.470 3.808 20 5 EHBDMN CC(C)CCC[C@@H](C)NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000540378798 1037888120 /nfs/dbraw/zinc/88/81/20/1037888120.db2.gz DSISLHFZIBTWAR-CABCVRRESA-N 0 1 335.448 3.576 20 5 EHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCC2(CC2)CC1 ZINC000378325675 1038464810 /nfs/dbraw/zinc/46/48/10/1038464810.db2.gz HCCQUONNWUIYPJ-GFCCVEGCSA-N 0 1 328.372 3.582 20 5 EHBDMN Cc1cc(Sc2nc(-c3ccccc3)n[nH]2)c(F)cc1[N+](=O)[O-] ZINC000461729970 1038589926 /nfs/dbraw/zinc/58/99/26/1038589926.db2.gz JOQZRORNKVQQAL-UHFFFAOYSA-N 0 1 330.344 3.979 20 5 EHBDMN C[C@H](c1cccc(Cl)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000485668093 1039385206 /nfs/dbraw/zinc/38/52/06/1039385206.db2.gz ICUGJSLWRZBFEK-DOMZBBRYSA-N 0 1 346.818 3.891 20 5 EHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000728918108 1039392103 /nfs/dbraw/zinc/39/21/03/1039392103.db2.gz JEJBMXZAZXGMCD-RBUKOAKNSA-N 0 1 344.386 3.822 20 5 EHBDMN Cc1c(CN[C@@H](C)c2ccc(F)cc2N(C)C)cccc1[N+](=O)[O-] ZINC000478497196 1039486957 /nfs/dbraw/zinc/48/69/57/1039486957.db2.gz ZPWJHMQGMDWMGM-ZDUSSCGKSA-N 0 1 331.391 3.959 20 5 EHBDMN CN(C)c1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417313581 1039669904 /nfs/dbraw/zinc/66/99/04/1039669904.db2.gz WQLABOYEDPZAST-GOSISDBHSA-N 0 1 340.427 3.613 20 5 EHBDMN CC(C)[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CCN1C ZINC000489388677 1039902677 /nfs/dbraw/zinc/90/26/77/1039902677.db2.gz JCBCIDDUTLDZEE-FQEVSTJZSA-N 0 1 347.462 3.800 20 5 EHBDMN C[C@@H](Sc1nc(-c2ccccc2O)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000192950264 1040159131 /nfs/dbraw/zinc/15/91/31/1040159131.db2.gz RAZQJCSUHVUOAX-SNVBAGLBSA-N 0 1 342.380 3.939 20 5 EHBDMN COc1cc2c(cc1F)nccc2N(C)Cc1ccccc1[N+](=O)[O-] ZINC000479372394 1040171962 /nfs/dbraw/zinc/17/19/62/1040171962.db2.gz QWWYXKOAGASIQW-UHFFFAOYSA-N 0 1 341.342 3.927 20 5 EHBDMN CC(C)CCN(C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000053363721 1040242012 /nfs/dbraw/zinc/24/20/12/1040242012.db2.gz LMIYYZOFAIEHBZ-NSHDSACASA-N 0 1 327.812 3.553 20 5 EHBDMN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000490152206 1040358069 /nfs/dbraw/zinc/35/80/69/1040358069.db2.gz MODBIBOQLBLATC-GDBMZVCRSA-N 0 1 340.379 3.757 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(N2CCCC2)nc1 ZINC000151044023 1040518213 /nfs/dbraw/zinc/51/82/13/1040518213.db2.gz VIEXRRFRGBYYKZ-OAHLLOKOSA-N 0 1 340.427 3.749 20 5 EHBDMN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)OC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842309392 1040933714 /nfs/dbraw/zinc/93/37/14/1040933714.db2.gz QVILQAKYICDZBZ-MRVWCRGKSA-N 0 1 346.408 3.696 20 5 EHBDMN CCc1ccc([C@@H](NCC[C@H]2CCOC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541559826 1040999057 /nfs/dbraw/zinc/99/90/57/1040999057.db2.gz KJPAUWAIEUROQN-LIRRHRJNSA-N 0 1 344.411 3.856 20 5 EHBDMN Cc1c(F)cccc1NC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000433278133 1041190278 /nfs/dbraw/zinc/19/02/78/1041190278.db2.gz FIAXOHDDULFLKU-UHFFFAOYSA-N 0 1 345.374 3.503 20 5 EHBDMN COc1c(O)ccc(CN[C@H]2c3cc(C)ccc3C[C@@H]2C)c1[N+](=O)[O-] ZINC000893472362 1042213176 /nfs/dbraw/zinc/21/31/76/1042213176.db2.gz QZZDHWXFSILXTB-YVEFUNNKSA-N 0 1 342.395 3.641 20 5 EHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)c1 ZINC000120317940 1042391068 /nfs/dbraw/zinc/39/10/68/1042391068.db2.gz GMCLIUXJTAOZBM-QGZVFWFLSA-N 0 1 349.394 3.717 20 5 EHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000120317940 1042391069 /nfs/dbraw/zinc/39/10/69/1042391069.db2.gz GMCLIUXJTAOZBM-QGZVFWFLSA-N 0 1 349.394 3.717 20 5 EHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](CO)C(C)(C)C ZINC000093821754 1042544772 /nfs/dbraw/zinc/54/47/72/1042544772.db2.gz BCDXHMYCIYELMF-HNNXBMFYSA-N 0 1 349.456 3.557 20 5 EHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1cnn(C)c1 ZINC000279573493 1044245779 /nfs/dbraw/zinc/24/57/79/1044245779.db2.gz TUZBRRZWYOYSLB-CQSZACIVSA-N 0 1 342.321 3.588 20 5 EHBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1C(F)(F)F ZINC000432588275 1044405855 /nfs/dbraw/zinc/40/58/55/1044405855.db2.gz CQWZKNAQJUXKMV-UHFFFAOYSA-N 0 1 340.257 3.880 20 5 EHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000273063601 1128438500 /nfs/dbraw/zinc/43/85/00/1128438500.db2.gz IBMNWEWMGDRDMM-QLJPJBMISA-N 0 1 338.766 3.599 20 5 EHBDMN CC(C)C[C@@H]1OCCC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000494653212 1120719761 /nfs/dbraw/zinc/71/97/61/1120719761.db2.gz YMGVSARMSFTKBZ-HOCLYGCPSA-N 0 1 326.824 3.932 20 5 EHBDMN COc1cc(CNCc2ccc(C3CCC3)cc2)c([N+](=O)[O-])cc1O ZINC000494851723 1120885873 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341.411 3.889 20 5 EHBDMN Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056197053 1129805901 /nfs/dbraw/zinc/80/59/01/1129805901.db2.gz NIERJRYGWWOUAO-KBPBESRZSA-N 0 1 327.384 3.581 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC(F)(F)[C@H](F)C1)CC2 ZINC001172902666 1131885229 /nfs/dbraw/zinc/88/52/29/1131885229.db2.gz BNIHHPWTUTVLRW-UKRRQHHQSA-N 0 1 328.334 3.521 20 5 EHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1ccccc1 ZINC001173222751 1132005517 /nfs/dbraw/zinc/00/55/17/1132005517.db2.gz VHDJQPAKVNXABD-HNAYVOBHSA-N 0 1 326.396 3.599 20 5 EHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1ccccc1 ZINC001173222748 1132005579 /nfs/dbraw/zinc/00/55/79/1132005579.db2.gz VHDJQPAKVNXABD-DNVCBOLYSA-N 0 1 326.396 3.599 20 5 EHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2nc(Cl)ccc2C1 ZINC001173226134 1132006376 /nfs/dbraw/zinc/00/63/76/1132006376.db2.gz HUTWEKMCTRLATB-GFCCVEGCSA-N 0 1 331.803 3.633 20 5 EHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(=O)[C@@H](C)C12CCCC2 ZINC001173232496 1132010646 /nfs/dbraw/zinc/01/06/46/1132010646.db2.gz BSOOPMRUTNGUSX-HUUCEWRRSA-N 0 1 330.428 3.750 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1C ZINC001175990958 1132808684 /nfs/dbraw/zinc/80/86/84/1132808684.db2.gz ABIWYWTXKRSJPA-ZDUSSCGKSA-N 0 1 345.374 3.640 20 5 EHBDMN CC(C)CC[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000767765820 1133050640 /nfs/dbraw/zinc/05/06/40/1133050640.db2.gz PNXDKXPOYAXMQC-MRXNPFEDSA-N 0 1 343.431 3.711 20 5 EHBDMN Cc1ccc(-c2cccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC001178662190 1133188654 /nfs/dbraw/zinc/18/86/54/1133188654.db2.gz IRMVZWTXUPLIFP-UHFFFAOYSA-N 0 1 349.346 3.923 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC000780715102 1134115877 /nfs/dbraw/zinc/11/58/77/1134115877.db2.gz FUEIKMKLFOBVLS-UHFFFAOYSA-N 0 1 342.323 3.642 20 5 EHBDMN Cc1cc(NS(=O)(=O)c2cccc(C(F)F)c2)ccc1[N+](=O)[O-] ZINC000780716257 1134125944 /nfs/dbraw/zinc/12/59/44/1134125944.db2.gz UGCXDVXKTHFKQC-UHFFFAOYSA-N 0 1 342.323 3.642 20 5 EHBDMN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)cc(O)cc1F ZINC000746985735 1134514074 /nfs/dbraw/zinc/51/40/74/1134514074.db2.gz HXUGMZCTFWVKKE-UHFFFAOYSA-N 0 1 343.669 3.589 20 5 EHBDMN COc1ccc(C[C@H](C)N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001170340094 1134759108 /nfs/dbraw/zinc/75/91/08/1134759108.db2.gz DKJSTUQVEMFDHN-WCQYABFASA-N 0 1 346.349 3.809 20 5 EHBDMN O=[N+]([O-])c1ccc2nc(NCCc3ccc4cn[nH]c4c3)sc2c1 ZINC000804704803 1135180853 /nfs/dbraw/zinc/18/08/53/1135180853.db2.gz BIZRLJYCTARFEJ-UHFFFAOYSA-N 0 1 339.380 3.735 20 5 EHBDMN CC(C)C[C@H](CO)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809981121 1135908559 /nfs/dbraw/zinc/90/85/59/1135908559.db2.gz ZRUFPCGUEGSEGJ-GFCCVEGCSA-N 0 1 335.231 3.740 20 5 EHBDMN CC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000815559009 1136610567 /nfs/dbraw/zinc/61/05/67/1136610567.db2.gz URXKTPMVCKDUKW-LRDDRELGSA-N 0 1 329.400 3.988 20 5 EHBDMN CC[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1OC ZINC000815559008 1136610613 /nfs/dbraw/zinc/61/06/13/1136610613.db2.gz URXKTPMVCKDUKW-BLLLJJGKSA-N 0 1 329.400 3.988 20 5 EHBDMN COc1cc(CN[C@H]2CCc3ccc(Cl)cc32)c([N+](=O)[O-])cc1O ZINC000858321119 1136958480 /nfs/dbraw/zinc/95/84/80/1136958480.db2.gz SMBOFIUJJUDCJD-AWEZNQCLSA-N 0 1 348.786 3.740 20 5 EHBDMN COc1ccc([C@H](C)N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000858502105 1136974229 /nfs/dbraw/zinc/97/42/29/1136974229.db2.gz HGBYBFSTPBIWAK-NEPJUHHUSA-N 0 1 345.399 3.606 20 5 EHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000339015680 1136995398 /nfs/dbraw/zinc/99/53/98/1136995398.db2.gz WPCFZVODFYIFHG-ABAIWWIYSA-N 0 1 344.333 3.615 20 5 EHBDMN C[C@H](CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000780764766 1137017361 /nfs/dbraw/zinc/01/73/61/1137017361.db2.gz QLBRYPXKDTYYPJ-CJNGLKHVSA-N 0 1 330.432 3.690 20 5 EHBDMN CC[C@](C)(NCc1cc(C(=O)OC)ccc1[N+](=O)[O-])c1ccccc1 ZINC000844312867 1137208711 /nfs/dbraw/zinc/20/87/11/1137208711.db2.gz OMWJNZRYFCWKAS-IBGZPJMESA-N 0 1 342.395 3.796 20 5 EHBDMN Cc1ccc([C@H](C)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000120235012 1137245537 /nfs/dbraw/zinc/24/55/37/1137245537.db2.gz SKKHULZGXIPSKL-ZDUSSCGKSA-N 0 1 328.368 3.525 20 5 EHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846109300 1137333218 /nfs/dbraw/zinc/33/32/18/1137333218.db2.gz UMMAQHNLAIFJRI-CQSZACIVSA-N 0 1 348.296 3.817 20 5 EHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(CC3(Br)CC3)C2)cc1 ZINC000846962413 1137379522 /nfs/dbraw/zinc/37/95/22/1137379522.db2.gz ZUVQQKSTCIJQSW-ZDUSSCGKSA-N 0 1 339.233 3.702 20 5 EHBDMN CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000795093815 1137462621 /nfs/dbraw/zinc/46/26/21/1137462621.db2.gz VLUVNVMAKFSJHW-SECBINFHSA-N 0 1 348.794 3.822 20 5 EHBDMN Cc1cccc(C)c1CN(Cc1cn(C)nc1[N+](=O)[O-])CC(C)C ZINC001171456838 1137490298 /nfs/dbraw/zinc/49/02/98/1137490298.db2.gz IFMQZLMQUXORNW-UHFFFAOYSA-N 0 1 330.432 3.603 20 5 EHBDMN CO[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1SC)C(F)(F)F ZINC000872056871 1137568458 /nfs/dbraw/zinc/56/84/58/1137568458.db2.gz UXNOOXFUNQRORQ-PRHODGIISA-N 0 1 338.351 3.545 20 5 EHBDMN CC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000872132550 1137573225 /nfs/dbraw/zinc/57/32/25/1137573225.db2.gz IPLUKQGJPCMHKG-MRAWALMUSA-N 0 1 332.375 3.897 20 5 EHBDMN Cc1cc(N2CCC[C@@H](c3cc(C(C)C)n[nH]3)C2)ncc1[N+](=O)[O-] ZINC000872648789 1137582481 /nfs/dbraw/zinc/58/24/81/1137582481.db2.gz OAFDAIFKRMQPDL-CYBMUJFWSA-N 0 1 329.404 3.529 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3nc(C4CCC4)no3)CC2)cc1 ZINC000877736446 1137687342 /nfs/dbraw/zinc/68/73/42/1137687342.db2.gz ZSGXVBYOWJHQBI-UHFFFAOYSA-N 0 1 342.399 3.625 20 5 EHBDMN CC[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878045252 1137700595 /nfs/dbraw/zinc/70/05/95/1137700595.db2.gz HFMUOZCEGXIAIC-NSHDSACASA-N 0 1 336.779 3.673 20 5 EHBDMN Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3[C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000879680689 1137755017 /nfs/dbraw/zinc/75/50/17/1137755017.db2.gz VZPJLUSFMLSQMH-GVZPALNKSA-N 0 1 342.399 3.758 20 5 EHBDMN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3Cc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000879684215 1137755135 /nfs/dbraw/zinc/75/51/35/1137755135.db2.gz UYNVGKXUXZZMBE-MQVJKMGUSA-N 0 1 342.399 3.505 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nccs2)C1 ZINC000880316349 1137774723 /nfs/dbraw/zinc/77/47/23/1137774723.db2.gz DXOFQYBDETVKKM-CYBMUJFWSA-N 0 1 347.440 3.828 20 5 EHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccc(F)cc1)C1CCOCC1 ZINC000883200699 1137848225 /nfs/dbraw/zinc/84/82/25/1137848225.db2.gz PHXYLWYPVKNNGG-IBGZPJMESA-N 0 1 344.386 3.991 20 5 EHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCCC(C)(C)C1 ZINC000112702266 1137909504 /nfs/dbraw/zinc/90/95/04/1137909504.db2.gz UPAWDMAJTXLQFP-GFCCVEGCSA-N 0 1 330.388 3.828 20 5 EHBDMN CC(C)c1nc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000331985468 1137927772 /nfs/dbraw/zinc/92/77/72/1137927772.db2.gz YRLNBRZCSKOUNA-HNNXBMFYSA-N 0 1 347.394 3.703 20 5 EHBDMN COc1ccc([C@@H](CCO)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000120324632 1137948668 /nfs/dbraw/zinc/94/86/68/1137948668.db2.gz FDNGOAAVGDLNBH-RDTXWAMCSA-N 0 1 344.411 3.686 20 5 EHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886818102 1138148751 /nfs/dbraw/zinc/14/87/51/1138148751.db2.gz ALHNLERLMDNSSR-ABAIWWIYSA-N 0 1 344.333 3.615 20 5 EHBDMN COCCOc1cc(C)ccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125265766 1138304515 /nfs/dbraw/zinc/30/45/15/1138304515.db2.gz AZKGXGMHJBXANZ-OAHLLOKOSA-N 0 1 344.411 3.779 20 5 EHBDMN CC(C)CN(CCc1ccccc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337291664 1138522452 /nfs/dbraw/zinc/52/24/52/1138522452.db2.gz OJCSIERNYKPUST-UHFFFAOYSA-N 0 1 342.395 3.641 20 5 EHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc([C@@H]2CCCO2)s1 ZINC000283026488 1138880089 /nfs/dbraw/zinc/88/00/89/1138880089.db2.gz MPWDMRZLMLBJGG-INIZCTEOSA-N 0 1 347.440 3.577 20 5 EHBDMN C[C@@H](CN(C)Cc1cc([N+](=O)[O-])ccc1Cl)c1nccs1 ZINC000183928838 1140066631 /nfs/dbraw/zinc/06/66/31/1140066631.db2.gz CXRAMNPHGDCVDV-JTQLQIEISA-N 0 1 325.821 3.940 20 5 EHBDMN Cc1ccc([C@@H]2CCCCN2C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])o1 ZINC000269524776 1141117789 /nfs/dbraw/zinc/11/77/89/1141117789.db2.gz QYWWKKUABUNOTQ-LBPRGKRZSA-N 0 1 346.387 3.710 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](c1cc(F)ccc1F)C(F)F ZINC000339134427 1141506396 /nfs/dbraw/zinc/50/63/96/1141506396.db2.gz DDBBKICICAQTMT-CQSZACIVSA-N 0 1 344.264 3.675 20 5 EHBDMN CC(C)N(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000339207634 1141528460 /nfs/dbraw/zinc/52/84/60/1141528460.db2.gz ZHQUANIWCLWRAI-ZDUSSCGKSA-N 0 1 332.322 3.613 20 5 EHBDMN O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001594987019 951019495 /nfs/dbraw/zinc/01/94/95/951019495.db2.gz LVMHRVYQSYPADP-LLVKDONJSA-N 0 1 347.198 3.731 20 5 EHBDMN O=C([O-])C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001594987019 951019503 /nfs/dbraw/zinc/01/95/03/951019503.db2.gz LVMHRVYQSYPADP-LLVKDONJSA-N 0 1 347.198 3.731 20 5 EHBDMN CC(C)[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000593735626 974984065 /nfs/dbraw/zinc/98/40/65/974984065.db2.gz RYBKTFQYYNLYKJ-UHFFFAOYSA-N 0 1 334.397 3.765 20 5 EHBDMN O=[N+]([O-])c1cc(CNCCOc2ncc(Cl)cc2Cl)cs1 ZINC000134475821 1015557724 /nfs/dbraw/zinc/55/77/24/1015557724.db2.gz DZMIOTYGDBUGSW-UHFFFAOYSA-N 0 1 348.211 3.527 20 5 EHBDMN CC(C)[N@@H+](Cc1ccc(F)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591596674 992824038 /nfs/dbraw/zinc/82/40/38/992824038.db2.gz LQZVKIAQEBTIPA-UHFFFAOYSA-N 0 1 346.358 3.843 20 5 EHBDMN Cc1cc(N2CC[C@@H](OCC(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302081971 1017481754 /nfs/dbraw/zinc/48/17/54/1017481754.db2.gz LVHJRYWNMWBDJB-OAHLLOKOSA-N 0 1 329.400 3.703 20 5 EHBDMN Cc1ccc([C@H](C)NC2(c3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] ZINC000537449324 1032737103 /nfs/dbraw/zinc/73/71/03/1032737103.db2.gz YBINANMRAQUDPK-ZDUSSCGKSA-N 0 1 340.379 3.972 20 5 EHBDMN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCC2(CCCCC2)C1 ZINC001167341524 1018313341 /nfs/dbraw/zinc/31/33/41/1018313341.db2.gz KHIJRYIDPYTKLL-HNNXBMFYSA-N 0 1 345.443 3.968 20 5 EHBDMN CCOc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000101595377 1018374848 /nfs/dbraw/zinc/37/48/48/1018374848.db2.gz XXPYTQGJBHDHNL-CYBMUJFWSA-N 0 1 330.384 3.853 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(C)[C@@H](c2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000433775715 1019612501 /nfs/dbraw/zinc/61/25/01/1019612501.db2.gz SSWGAGMYYIHLTJ-MRXNPFEDSA-N 0 1 344.415 3.911 20 5 EHBDMN C[C@H](N[C@@H]1CCCOc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293664186 1019686212 /nfs/dbraw/zinc/68/62/12/1019686212.db2.gz JJRBQMWDDBNEAZ-BLLLJJGKSA-N 0 1 327.384 3.742 20 5 EHBDMN CC[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCCO1 ZINC000594040396 1032860384 /nfs/dbraw/zinc/86/03/84/1032860384.db2.gz FLAVSUSGIZRYLN-IAGOWNOFSA-N 0 1 345.399 3.687 20 5 EHBDMN CC1(C)CN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000602470972 1032905766 /nfs/dbraw/zinc/90/57/66/1032905766.db2.gz AGXRAOGXEAIXHZ-UHFFFAOYSA-N 0 1 332.322 3.615 20 5 EHBDMN CCC(=O)c1ccc(O)c(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000581224908 1020549444 /nfs/dbraw/zinc/54/94/44/1020549444.db2.gz NFVJHWDAMYKIEY-LLVKDONJSA-N 0 1 342.351 3.635 20 5 EHBDMN CCN(Cc1cccc(Cl)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000337194175 1021222716 /nfs/dbraw/zinc/22/27/16/1021222716.db2.gz ACKDATYMZMYTJZ-UHFFFAOYSA-N 0 1 334.759 3.616 20 5 EHBDMN CC[C@@](C)(O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000439256662 1021301090 /nfs/dbraw/zinc/30/10/90/1021301090.db2.gz HUYSAMRJZWCPLI-LJQANCHMSA-N 0 1 346.402 3.897 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2ccccc21 ZINC000032585619 1021378966 /nfs/dbraw/zinc/37/89/66/1021378966.db2.gz JYTNQPFUSVHHGI-UHFFFAOYSA-N 0 1 342.376 3.857 20 5 EHBDMN Cc1ccc([C@H]2[C@H](C)CCCN2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC001167477786 1021459789 /nfs/dbraw/zinc/45/97/89/1021459789.db2.gz HVEYZHABZJGNCI-RHSMWYFYSA-N 0 1 328.416 3.610 20 5 EHBDMN CC[C@H](C)Oc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000505960505 1021532065 /nfs/dbraw/zinc/53/20/65/1021532065.db2.gz WIUVTJLRJFCBQI-NSHDSACASA-N 0 1 330.340 3.730 20 5 EHBDMN O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894449756 1022288079 /nfs/dbraw/zinc/28/80/79/1022288079.db2.gz PIZOFESKNDMEST-ZDUSSCGKSA-N 0 1 333.775 3.516 20 5 EHBDMN CC1=C(C)CN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000280781526 1022707685 /nfs/dbraw/zinc/70/76/85/1022707685.db2.gz QCUGQSBAXMESCM-ZDUSSCGKSA-N 0 1 328.372 3.748 20 5 EHBDMN CCOc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000276828305 1023084695 /nfs/dbraw/zinc/08/46/95/1023084695.db2.gz ANNUHGPSIKTHBJ-GFCCVEGCSA-N 0 1 345.355 3.753 20 5 EHBDMN Cc1ccccc1[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C(C)C ZINC000506484688 1023278589 /nfs/dbraw/zinc/27/85/89/1023278589.db2.gz ZUCXWTHYBQOOQL-KRWDZBQOSA-N 0 1 328.368 3.736 20 5 EHBDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc([N+](=O)[O-])c(C)n3)[nH]c2c1 ZINC000610755618 1023457516 /nfs/dbraw/zinc/45/75/16/1023457516.db2.gz OIWCZOBSAMZZBB-INIZCTEOSA-N 0 1 337.383 3.824 20 5 EHBDMN Cc1ncc([N+](=O)[O-])n1CCN1CCC[C@@H]1c1ccccc1Cl ZINC000602768223 1033163758 /nfs/dbraw/zinc/16/37/58/1033163758.db2.gz YCFYFOJAHQNBSX-OAHLLOKOSA-N 0 1 334.807 3.590 20 5 EHBDMN CCOc1cc(CN2CCC(c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000277159444 1023895012 /nfs/dbraw/zinc/89/50/12/1023895012.db2.gz KBGHOXDQOLHTAC-UHFFFAOYSA-N 0 1 341.411 3.768 20 5 EHBDMN CC(C)Cc1ccc([C@@H](NCc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000602803533 1033175184 /nfs/dbraw/zinc/17/51/84/1033175184.db2.gz CNPYDJONOMFQGS-GOSISDBHSA-N 0 1 342.443 3.768 20 5 EHBDMN CC(C)c1ccc(CN2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000430131413 1024662868 /nfs/dbraw/zinc/66/28/68/1024662868.db2.gz LVYZMJDPWZVBKU-KRWDZBQOSA-N 0 1 332.444 3.967 20 5 EHBDMN C[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1nc(C(C)(C)C)cs1 ZINC000428038048 1024942289 /nfs/dbraw/zinc/94/22/89/1024942289.db2.gz MDQJMTIUJFTXTE-VIFPVBQESA-N 0 1 349.412 3.545 20 5 EHBDMN COCC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000895971103 1025027420 /nfs/dbraw/zinc/02/74/20/1025027420.db2.gz KZTQAVNMUXJUOO-UHFFFAOYSA-N 0 1 336.775 3.586 20 5 EHBDMN O=[N+]([O-])c1cccnc1NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000024154237 1025328381 /nfs/dbraw/zinc/32/83/81/1025328381.db2.gz WIASUZMDGWNEHB-INIZCTEOSA-N 0 1 346.818 3.892 20 5 EHBDMN COc1ccc(CNCc2cc3c(cccc3F)[nH]2)cc1[N+](=O)[O-] ZINC000436239485 1025486787 /nfs/dbraw/zinc/48/67/87/1025486787.db2.gz GOCBXSJKEHPYLP-UHFFFAOYSA-N 0 1 329.331 3.514 20 5 EHBDMN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442843832 1025516253 /nfs/dbraw/zinc/51/62/53/1025516253.db2.gz FCGCFTDNVGKZOU-UHFFFAOYSA-N 0 1 346.364 3.759 20 5 EHBDMN COc1cc(CN2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000347200892 1025641694 /nfs/dbraw/zinc/64/16/94/1025641694.db2.gz OGEPLPOIFJVRNC-CXAGYDPISA-N 0 1 327.384 3.582 20 5 EHBDMN C[N@@H+]1Cc2ccccc2[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530384531 1025761287 /nfs/dbraw/zinc/76/12/87/1025761287.db2.gz NFUQYYUCZHKKKE-KRWDZBQOSA-N 0 1 334.379 3.742 20 5 EHBDMN CN1Cc2ccccc2[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530384531 1025761301 /nfs/dbraw/zinc/76/13/01/1025761301.db2.gz NFUQYYUCZHKKKE-KRWDZBQOSA-N 0 1 334.379 3.742 20 5 EHBDMN O=[N+]([O-])c1cnc2c(c1)CN(C/C=C/c1ccc(Cl)cc1)CC2 ZINC000469766725 1025789555 /nfs/dbraw/zinc/78/95/55/1025789555.db2.gz DYUNMKUXYHCTLB-OWOJBTEDSA-N 0 1 329.787 3.715 20 5 EHBDMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000478249929 1026037803 /nfs/dbraw/zinc/03/78/03/1026037803.db2.gz HKSKRTPDQGZFCK-DIFFPNOSSA-N 0 1 336.338 3.739 20 5 EHBDMN COc1ccc([C@H](OC)[C@H](C)NCc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000478352778 1026081872 /nfs/dbraw/zinc/08/18/72/1026081872.db2.gz LECJWEURXDILLX-KPZWWZAWSA-N 0 1 348.374 3.608 20 5 EHBDMN O=[N+]([O-])c1ccn(CCN2CCCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000451740298 1026255320 /nfs/dbraw/zinc/25/53/20/1026255320.db2.gz ZWGJAMMQEIBOSY-HNNXBMFYSA-N 0 1 334.807 3.672 20 5 EHBDMN Cc1ccccc1[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000339005760 1026342380 /nfs/dbraw/zinc/34/23/80/1026342380.db2.gz WYGQYWFYKDMXCX-IFXJQAMLSA-N 0 1 342.395 3.571 20 5 EHBDMN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(-n2cccn2)c(F)c1 ZINC000339427165 1026561188 /nfs/dbraw/zinc/56/11/88/1026561188.db2.gz FCXGMRJPZBQOOL-ZDUSSCGKSA-N 0 1 340.358 3.770 20 5 EHBDMN CO[C@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000531240424 1026717065 /nfs/dbraw/zinc/71/70/65/1026717065.db2.gz RIFZLHGNHHFWFW-GJZGRUSLSA-N 0 1 347.440 3.621 20 5 EHBDMN Cc1cc(F)ccc1[C@H](O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135220196 1027041693 /nfs/dbraw/zinc/04/16/93/1027041693.db2.gz XOJBCGYXCVBRGI-LJQANCHMSA-N 0 1 344.386 3.740 20 5 EHBDMN COc1ccc(CNc2ccc(CN(C)C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000475557710 1027599057 /nfs/dbraw/zinc/59/90/57/1027599057.db2.gz BGOYFFPESRNZKA-UHFFFAOYSA-N 0 1 349.818 3.931 20 5 EHBDMN O=[N+]([O-])c1cccc(F)c1CSc1nc(-c2ccccc2F)n[nH]1 ZINC000504529734 1028714367 /nfs/dbraw/zinc/71/43/67/1028714367.db2.gz JAKZFALYSQZLGH-UHFFFAOYSA-N 0 1 348.334 3.950 20 5 EHBDMN CCCC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000524347508 1029094866 /nfs/dbraw/zinc/09/48/66/1029094866.db2.gz DCHUKJXRCLBQJG-FZMZJTMJSA-N 0 1 330.388 3.560 20 5 EHBDMN Cc1ccsc1[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447583752 1030315491 /nfs/dbraw/zinc/31/54/91/1030315491.db2.gz CAXKLVPLOLAQHJ-CVEARBPZSA-N 0 1 332.425 3.665 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cnn(CC(F)(F)F)c1 ZINC000532244604 1030509385 /nfs/dbraw/zinc/50/93/85/1030509385.db2.gz HDPJERSKVRAZAD-NSHDSACASA-N 0 1 342.321 3.513 20 5 EHBDMN COc1ccc(OCCN2C[C@H](C)[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000483073325 1030940542 /nfs/dbraw/zinc/94/05/42/1030940542.db2.gz XVXJDYUZOQPIGB-IFXJQAMLSA-N 0 1 342.395 3.675 20 5 EHBDMN CCn1cc([C@@H](C)N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000296040889 1031223781 /nfs/dbraw/zinc/22/37/81/1031223781.db2.gz UJBOYHGLOUVBPC-SJKOYZFVSA-N 0 1 328.416 3.884 20 5 EHBDMN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)cc([N+](=O)[O-])c3)c2C)o1 ZINC000161421367 1031535581 /nfs/dbraw/zinc/53/55/81/1031535581.db2.gz WGJLBBWPNSAFMM-UHFFFAOYSA-N 0 1 340.339 3.755 20 5 EHBDMN CC1(C)CN(CCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000484341803 1031545499 /nfs/dbraw/zinc/54/54/99/1031545499.db2.gz PCCCAHKIFXHBRN-AWEZNQCLSA-N 0 1 346.349 3.884 20 5 EHBDMN Cc1c(-c2noc([C@@H]3CC[C@H]4CCCC[C@@H]4N3)n2)cccc1[N+](=O)[O-] ZINC000904123205 1031758894 /nfs/dbraw/zinc/75/88/94/1031758894.db2.gz JCLNCDXCTZQWRS-SNPRPXQTSA-N 0 1 342.399 3.937 20 5 EHBDMN CCC1(C)CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448861509 1031828941 /nfs/dbraw/zinc/82/89/41/1031828941.db2.gz UBDYXRNRYWQMDQ-UHFFFAOYSA-N 0 1 342.399 3.637 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cccc(OC)c1C ZINC000594999448 1033625365 /nfs/dbraw/zinc/62/53/65/1033625365.db2.gz RYTDAVXPFLWCNR-UHFFFAOYSA-N 0 1 330.384 3.600 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000595003905 1033628161 /nfs/dbraw/zinc/62/81/61/1033628161.db2.gz NBMOZFUBBVJREZ-NWDGAFQWSA-N 0 1 344.367 3.744 20 5 EHBDMN Cc1ccc([C@@H](C)NC[C@H](n2cccn2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000599058419 1033695912 /nfs/dbraw/zinc/69/59/12/1033695912.db2.gz UKRDONKAWZSWKS-RISCZKNCSA-N 0 1 342.321 3.554 20 5 EHBDMN Cn1ccnc1[C@@H](NC[C@@H]1CCCC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000599091645 1033728919 /nfs/dbraw/zinc/72/89/19/1033728919.db2.gz KSTAKYWGEIICQH-RDJZCZTQSA-N 0 1 340.427 3.588 20 5 EHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@H](C)c2ccc(C)cc2)c1 ZINC000593020574 1033823673 /nfs/dbraw/zinc/82/36/73/1033823673.db2.gz PCXXSNNNWDGPQB-CYBMUJFWSA-N 0 1 328.368 3.541 20 5 EHBDMN CC(C)(CO)[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000595496244 1033831030 /nfs/dbraw/zinc/83/10/30/1033831030.db2.gz FNRSCGCCXRPHQR-HNNXBMFYSA-N 0 1 338.404 3.645 20 5 EHBDMN COc1ccc(CN2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000603840883 1033984211 /nfs/dbraw/zinc/98/42/11/1033984211.db2.gz GQAYOJXMOWZWRE-UHFFFAOYSA-N 0 1 326.396 3.983 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@H](CCF)C3)co2)cc1 ZINC000595755097 1033984425 /nfs/dbraw/zinc/98/44/25/1033984425.db2.gz GGYAWXWTPYVSAW-ZDUSSCGKSA-N 0 1 333.363 3.821 20 5 EHBDMN COc1cc(NC[C@@H](c2ccco2)N(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596055108 1034056553 /nfs/dbraw/zinc/05/65/53/1034056553.db2.gz SDBBMZPIDFKMOK-ZDUSSCGKSA-N 0 1 339.779 3.565 20 5 EHBDMN C[C@@H](NCc1cnccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000596117811 1034082629 /nfs/dbraw/zinc/08/26/29/1034082629.db2.gz JPBVPFUNFZVVPB-SNVBAGLBSA-N 0 1 325.290 3.859 20 5 EHBDMN COc1ccc(CCCN(C)Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000491204989 1034300107 /nfs/dbraw/zinc/30/01/07/1034300107.db2.gz HQDHQLUJCUPKPP-UHFFFAOYSA-N 0 1 332.375 3.807 20 5 EHBDMN CO[C@@H](CN1CCc2c(cccc2[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC000548917045 1034780769 /nfs/dbraw/zinc/78/07/69/1034780769.db2.gz ZECDAUVDNRQZSO-SFHVURJKSA-N 0 1 346.814 3.994 20 5 EHBDMN COc1cc(CN2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000179873049 1034877605 /nfs/dbraw/zinc/87/76/05/1034877605.db2.gz WYQNWTWZCQTWCC-LLVKDONJSA-N 0 1 344.358 3.622 20 5 EHBDMN C[C@@H](c1ccccc1Cl)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365127525 1034916943 /nfs/dbraw/zinc/91/69/43/1034916943.db2.gz WGMOSRPKRGHQPC-LBPRGKRZSA-N 0 1 334.807 3.843 20 5 EHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc3ncccc3c2[N+](=O)[O-])n[nH]1 ZINC000580270650 1035425124 /nfs/dbraw/zinc/42/51/24/1035425124.db2.gz UOTNOZVPEUSUFW-GHMZBOCLSA-N 0 1 340.387 3.948 20 5 EHBDMN CC[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N1CCCC1 ZINC000581315205 1035483808 /nfs/dbraw/zinc/48/38/08/1035483808.db2.gz VQPBSINOEVVULO-UKRRQHHQSA-N 0 1 345.365 3.662 20 5 EHBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 ZINC000152751030 1036631720 /nfs/dbraw/zinc/63/17/20/1036631720.db2.gz GGOFEIYYJQXRFE-CHWSQXEVSA-N 0 1 328.368 3.778 20 5 EHBDMN Cc1cc(C)c([N+](=O)[O-])c(Sc2nc(-c3ccccc3F)n[nH]2)n1 ZINC000541931857 1036837116 /nfs/dbraw/zinc/83/71/16/1036837116.db2.gz 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CCOc1cc(CN[C@@H](CC)c2c(C)nn(C)c2C)ccc1[N+](=O)[O-] ZINC000491677905 1037615639 /nfs/dbraw/zinc/61/56/39/1037615639.db2.gz RENJVXMTTVTLNO-HNNXBMFYSA-N 0 1 346.431 3.585 20 5 EHBDMN CCc1ccc([C@@H](N[C@@H](CC)CCO)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542475099 1037889598 /nfs/dbraw/zinc/88/95/98/1037889598.db2.gz PVAGFZCISSCSPP-KSSFIOAISA-N 0 1 332.400 3.590 20 5 EHBDMN C[C@@H](N[C@@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000539276703 1038752973 /nfs/dbraw/zinc/75/29/73/1038752973.db2.gz PLBZGUUUARZGBB-CIBFVHANSA-N 0 1 347.459 3.575 20 5 EHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)c(F)c1 ZINC000539297939 1038765001 /nfs/dbraw/zinc/76/50/01/1038765001.db2.gz XAJLFOUHCSCRHV-CRAIPNDOSA-N 0 1 330.359 3.601 20 5 EHBDMN Cc1cccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000905852327 1039157614 /nfs/dbraw/zinc/15/76/14/1039157614.db2.gz IDRXKWXRBADGGO-HUUCEWRRSA-N 0 1 341.411 3.889 20 5 EHBDMN Cc1cc(N2CCOC[C@H](C3CCC3)C2)c2cc([N+](=O)[O-])ccc2n1 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MUYCZWNXWVWQPU-UHFFFAOYSA-N 0 1 349.390 3.601 20 5 EHBDMN CC(C)CC[C@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000122702840 1121605770 /nfs/dbraw/zinc/60/57/70/1121605770.db2.gz OWJZVXCEYFLONC-GFCCVEGCSA-N 0 1 330.388 3.512 20 5 EHBDMN C[C@H]1CC[C@H](N[C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272575235 1121731878 /nfs/dbraw/zinc/73/18/78/1121731878.db2.gz WZRWMWFRLPBNDG-FRFSOERESA-N 0 1 328.416 3.586 20 5 EHBDMN CC(=O)c1c(NC[C@H](c2cccc(F)c2)N(C)C)cccc1[N+](=O)[O-] ZINC000763207099 1121876641 /nfs/dbraw/zinc/87/66/41/1121876641.db2.gz QOOVDTRCUQBLTP-QGZVFWFLSA-N 0 1 345.374 3.651 20 5 EHBDMN C[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000301741628 1129028360 /nfs/dbraw/zinc/02/83/60/1129028360.db2.gz LGKAYTGFHMYRCF-LBPRGKRZSA-N 0 1 346.818 3.502 20 5 EHBDMN CC(C)(NC/C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1 ZINC000609392923 1123563935 /nfs/dbraw/zinc/56/39/35/1123563935.db2.gz BEEXVNZBEPTFFE-NTMALXAHSA-N 0 1 339.395 3.615 20 5 EHBDMN 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EHBDMN COCC1(C2CC2)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000602733749 1033124060 /nfs/dbraw/zinc/12/40/60/1033124060.db2.gz VGNNWCGCYIGMNX-UHFFFAOYSA-N 0 1 342.395 3.713 20 5 EHBDMN COc1ccc(CN2CCC3(CCSCC3)CC2)cc1[N+](=O)[O-] ZINC000602734374 1033124291 /nfs/dbraw/zinc/12/42/91/1033124291.db2.gz GNOCXVFGKIPLET-UHFFFAOYSA-N 0 1 336.457 3.713 20 5 EHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342051337 1023804381 /nfs/dbraw/zinc/80/43/81/1023804381.db2.gz SIZFQDAPMZQEKY-AEFFLSMTSA-N 0 1 334.416 3.525 20 5 EHBDMN CC(C)C[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000602807564 1033180376 /nfs/dbraw/zinc/18/03/76/1033180376.db2.gz WGDXCDRJBXAFFV-HNNXBMFYSA-N 0 1 336.823 3.859 20 5 EHBDMN Cc1ccc(C)c2sc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc21 ZINC000611555898 1024167552 /nfs/dbraw/zinc/16/75/52/1024167552.db2.gz DZCSMAIFDURFDG-UHFFFAOYSA-N 0 1 343.364 3.779 20 5 EHBDMN CCC(C)(C)[C@H]1CCCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000441640571 1024276833 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EHBDMN COc1c(O)ccc(CNC2(c3ccc(C)cc3)CCC2)c1[N+](=O)[O-] ZINC000895123976 1024623339 /nfs/dbraw/zinc/62/33/39/1024623339.db2.gz FQGCYSBUHPFFSL-UHFFFAOYSA-N 0 1 342.395 3.786 20 5 EHBDMN CC[C@@H](NCC(=O)Nc1c(C)cccc1C)c1cccc([N+](=O)[O-])c1 ZINC000342285715 1024729528 /nfs/dbraw/zinc/72/95/28/1024729528.db2.gz MNRCSERHCISGMR-QGZVFWFLSA-N 0 1 341.411 3.891 20 5 EHBDMN CCc1ccc([C@H](NCC2(CO)CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000346882443 1025253431 /nfs/dbraw/zinc/25/34/31/1025253431.db2.gz XXPOQIDYRWACFT-GOSISDBHSA-N 0 1 344.411 3.592 20 5 EHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(CCSCC4)CC3)nc2c1 ZINC000602952361 1033275297 /nfs/dbraw/zinc/27/52/97/1033275297.db2.gz UPTJUBKXGXBOEY-UHFFFAOYSA-N 0 1 346.456 3.580 20 5 EHBDMN COc1cc(CN2CCC3(CCSCC3)CC2)ccc1[N+](=O)[O-] ZINC000602950153 1033275583 /nfs/dbraw/zinc/27/55/83/1033275583.db2.gz KNSVDQUPIFMGHL-UHFFFAOYSA-N 0 1 336.457 3.713 20 5 EHBDMN CCn1c2ccccc2nc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436476344 1025772394 /nfs/dbraw/zinc/77/23/94/1025772394.db2.gz YWGILSLUUKZUFX-UHFFFAOYSA-N 0 1 329.381 3.962 20 5 EHBDMN C[C@@H](c1nc(Cc2ccccc2[N+](=O)[O-])no1)N1[C@H](C)CC[C@@H]1C ZINC000443217779 1025820938 /nfs/dbraw/zinc/82/09/38/1025820938.db2.gz DOOIJPBCNHJQAK-XQQFMLRXSA-N 0 1 330.388 3.502 20 5 EHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ncccc1F ZINC000530471562 1025880014 /nfs/dbraw/zinc/88/00/14/1025880014.db2.gz IMYYDMDZZFEISU-GFCCVEGCSA-N 0 1 335.404 3.789 20 5 EHBDMN CCCC[C@H](C)N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000452177490 1026544227 /nfs/dbraw/zinc/54/42/27/1026544227.db2.gz XHVXZWFRFKOVIY-LBPRGKRZSA-N 0 1 330.388 3.636 20 5 EHBDMN CC(C)(C)Oc1cccc(CNC/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000503262919 1027693867 /nfs/dbraw/zinc/69/38/67/1027693867.db2.gz IBOFHPGLLLEHHQ-VQHVLOKHSA-N 0 1 341.411 3.970 20 5 EHBDMN C[C@@H]1CN(Cc2cccc(Nc3ccccc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000523113350 1027764558 /nfs/dbraw/zinc/76/45/58/1027764558.db2.gz MGZUXELTCHZHPQ-GASCZTMLSA-N 0 1 341.411 3.948 20 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/nfs/dbraw/zinc/54/21/61/1029542161.db2.gz WTPZFAQEKCRRIG-HUUCEWRRSA-N 0 1 341.411 3.657 20 5 EHBDMN Cc1ccc([C@H](C)NCc2ccc(OC(C)C)nc2)cc1[N+](=O)[O-] ZINC000160060658 1030515979 /nfs/dbraw/zinc/51/59/79/1030515979.db2.gz JXYVOZZMCNELMU-AWEZNQCLSA-N 0 1 329.400 3.936 20 5 EHBDMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247154673 1030917365 /nfs/dbraw/zinc/91/73/65/1030917365.db2.gz LVNYKBKOEYOYGB-DYVFJYSZSA-N 0 1 328.416 3.843 20 5 EHBDMN CC(C)Oc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192682394 1031124441 /nfs/dbraw/zinc/12/44/41/1031124441.db2.gz XXWVRJSWMHVGNA-GOSISDBHSA-N 0 1 341.411 3.944 20 5 EHBDMN Cc1ccc(NS(=O)(=O)c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000146522361 1031636248 /nfs/dbraw/zinc/63/62/48/1031636248.db2.gz IYZZUTHRAMJLJR-UHFFFAOYSA-N 0 1 342.376 3.857 20 5 EHBDMN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000343642848 1031751321 /nfs/dbraw/zinc/75/13/21/1031751321.db2.gz PUCCSYPIVLCWLZ-PXAZEXFGSA-N 0 1 326.352 3.524 20 5 EHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(CN(C)C2CCCCC2)nn1 ZINC000603220881 1033438388 /nfs/dbraw/zinc/43/83/88/1033438388.db2.gz WNFWWTWQOAGCLH-AWEZNQCLSA-N 0 1 343.431 3.560 20 5 EHBDMN CCC(=O)c1ccc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594597637 1033444047 /nfs/dbraw/zinc/44/40/47/1033444047.db2.gz DGOHZZQYLWFVPN-GDBMZVCRSA-N 0 1 331.416 3.616 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccnc1N1CCCC1 ZINC000595064143 1033641576 /nfs/dbraw/zinc/64/15/76/1033641576.db2.gz DNGGJHVWPYTUKQ-OAHLLOKOSA-N 0 1 340.427 3.749 20 5 EHBDMN COc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000598993030 1033647644 /nfs/dbraw/zinc/64/76/44/1033647644.db2.gz IINVMCVBJXRBSV-GOSISDBHSA-N 0 1 327.384 3.629 20 5 EHBDMN O=[N+]([O-])c1cccc([C@H](N[C@H]2CO[C@@H](C3CC3)C2)c2ccccc2)c1 ZINC000599085127 1033723816 /nfs/dbraw/zinc/72/38/16/1033723816.db2.gz NEHJSEGGHLAPDA-MISYRCLQSA-N 0 1 338.407 3.841 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000595419295 1033791977 /nfs/dbraw/zinc/79/19/77/1033791977.db2.gz KDVWPSDHBQVCGR-RDTXWAMCSA-N 0 1 344.386 3.991 20 5 EHBDMN CC[C@@H](NCc1cnc(C(F)(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000593017844 1033816751 /nfs/dbraw/zinc/81/67/51/1033816751.db2.gz CELXTKLRPGLQRV-CYBMUJFWSA-N 0 1 340.305 3.645 20 5 EHBDMN Cc1noc(CN2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)c1[N+](=O)[O-] ZINC000595477907 1033824429 /nfs/dbraw/zinc/82/44/29/1033824429.db2.gz WFJHCHFEPHOGFE-MUJYYYPQSA-N 0 1 327.384 3.802 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791010 1034002918 /nfs/dbraw/zinc/00/29/18/1034002918.db2.gz SJIJELZLWRGSCJ-YJBOKZPZSA-N 0 1 348.443 3.775 20 5 EHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cnccc1C(F)(F)F ZINC000596118299 1034081312 /nfs/dbraw/zinc/08/13/12/1034081312.db2.gz VTMDYEKFCLBENL-AWEZNQCLSA-N 0 1 337.301 3.786 20 5 EHBDMN CC(C)(C)c1nc(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n[nH]1 ZINC000596263470 1034154005 /nfs/dbraw/zinc/15/40/05/1034154005.db2.gz GRPHJZMJRGPWCJ-UHFFFAOYSA-N 0 1 343.309 3.641 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1NC1CCN(Cc2ccccn2)CC1 ZINC000076836217 1034308665 /nfs/dbraw/zinc/30/86/65/1034308665.db2.gz XHOQEQZYJKNZCS-UHFFFAOYSA-N 0 1 346.818 3.720 20 5 EHBDMN CCOc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000343818135 1034787166 /nfs/dbraw/zinc/78/71/66/1034787166.db2.gz ZFEQSTXNXSGKFR-UHFFFAOYSA-N 0 1 347.415 3.545 20 5 EHBDMN COc1c(O)ccc(CN[C@H](c2cccs2)C2CC2)c1[N+](=O)[O-] ZINC000892488330 1034813997 /nfs/dbraw/zinc/81/39/97/1034813997.db2.gz KXOFCUHKCOKOBY-AWEZNQCLSA-N 0 1 334.397 3.611 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(OC(F)F)c1 ZINC000581778700 1035552453 /nfs/dbraw/zinc/55/24/53/1035552453.db2.gz OIIPHZWXRPJCOM-LLVKDONJSA-N 0 1 337.326 3.750 20 5 EHBDMN O=[N+]([O-])c1ccc(NCCc2ccc3cn[nH]c3c2)c(OC(F)F)c1 ZINC000588048672 1035678192 /nfs/dbraw/zinc/67/81/92/1035678192.db2.gz LGUWSDQLXSBATE-UHFFFAOYSA-N 0 1 348.309 3.727 20 5 EHBDMN CCOc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492788766 1036294227 /nfs/dbraw/zinc/29/42/27/1036294227.db2.gz JSJPVKUBHRQZLY-WBVHZDCISA-N 0 1 336.457 3.854 20 5 EHBDMN CCOc1cc(CN2CCS[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492788766 1036294242 /nfs/dbraw/zinc/29/42/42/1036294242.db2.gz JSJPVKUBHRQZLY-WBVHZDCISA-N 0 1 336.457 3.854 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)N2CCC(C)(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000589287052 1036341375 /nfs/dbraw/zinc/34/13/75/1036341375.db2.gz DJCHXDDZBHZQTC-CQSZACIVSA-N 0 1 345.443 3.742 20 5 EHBDMN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1csnn1 ZINC000414293532 1036494862 /nfs/dbraw/zinc/49/48/62/1036494862.db2.gz CYPFUKIPSPWTGU-SGMGOOAPSA-N 0 1 332.429 3.508 20 5 EHBDMN CC[C@@]1(C)CCCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000464777048 1036770335 /nfs/dbraw/zinc/77/03/35/1036770335.db2.gz OMTNRTNBKAGCSV-KDOFPFPSSA-N 0 1 333.432 3.742 20 5 EHBDMN Cc1ccc(NC(=O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000180417322 1036776685 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3.794 20 5 EHBDMN COC(=O)c1ccc([N+](=O)[O-])c(CN[C@@H](C)c2ccc(C)cc2)c1 ZINC000593020575 1033825155 /nfs/dbraw/zinc/82/51/55/1033825155.db2.gz PCXXSNNNWDGPQB-ZDUSSCGKSA-N 0 1 328.368 3.541 20 5 EHBDMN Cc1noc(CN(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC000595517476 1033838340 /nfs/dbraw/zinc/83/83/40/1033838340.db2.gz WCENFEHIESEEHC-SECBINFHSA-N 0 1 349.778 3.614 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000593747740 1033917988 /nfs/dbraw/zinc/91/79/88/1033917988.db2.gz BAYQTHCWZHWKJL-UONOGXRCSA-N 0 1 334.416 3.787 20 5 EHBDMN COc1cccc(C[C@H]2CCCN2Cc2csc([N+](=O)[O-])c2)c1 ZINC000603936114 1034052473 /nfs/dbraw/zinc/05/24/73/1034052473.db2.gz FVQFIFJQMKFMRD-OAHLLOKOSA-N 0 1 332.425 3.872 20 5 EHBDMN Cc1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)s1 ZINC000179375562 1034257614 /nfs/dbraw/zinc/25/76/14/1034257614.db2.gz GTKIOQYBLLGLSL-VXGBXAGGSA-N 0 1 347.440 3.951 20 5 EHBDMN CCOc1ccc([C@H](C)NCc2ccc(O)c(OC)c2[N+](=O)[O-])cc1 ZINC000892479826 1034666621 /nfs/dbraw/zinc/66/66/21/1034666621.db2.gz PUXTUOFNQDQQGX-LBPRGKRZSA-N 0 1 346.383 3.559 20 5 EHBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000593332821 1034673907 /nfs/dbraw/zinc/67/39/07/1034673907.db2.gz PISQSSVGSGEHMZ-AWEZNQCLSA-N 0 1 334.397 3.618 20 5 EHBDMN O=C([O-])C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)CC1CC1 ZINC000593333358 1034679667 /nfs/dbraw/zinc/67/96/67/1034679667.db2.gz VALPEXGKQCZJNB-UHFFFAOYSA-N 0 1 346.408 3.620 20 5 EHBDMN O=C(Cc1cccc([N+](=O)[O-])c1)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000179850417 1034762109 /nfs/dbraw/zinc/76/21/09/1034762109.db2.gz ZCKWWDIBGJYMOX-UHFFFAOYSA-N 0 1 346.293 3.590 20 5 EHBDMN COCCOCc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000290171207 1035017191 /nfs/dbraw/zinc/01/71/91/1035017191.db2.gz QZMBCWPIVUQKAC-OAHLLOKOSA-N 0 1 344.411 3.609 20 5 EHBDMN COc1ccc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000045004340 1035600916 /nfs/dbraw/zinc/60/09/16/1035600916.db2.gz BTFLIHAKJSPYJL-MRXNPFEDSA-N 0 1 342.395 3.949 20 5 EHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1Cc2ccccc2C1 ZINC000534810267 1035618363 /nfs/dbraw/zinc/61/83/63/1035618363.db2.gz SLASOYLFZPJNBY-UHFFFAOYSA-N 0 1 349.390 3.849 20 5 EHBDMN CCOc1cc(CNC2(c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] ZINC000492608950 1036042515 /nfs/dbraw/zinc/04/25/15/1036042515.db2.gz RSTKTODWWXRXCT-UHFFFAOYSA-N 0 1 342.395 3.781 20 5 EHBDMN Cc1c(CNCc2cc(O)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000589317764 1036356821 /nfs/dbraw/zinc/35/68/21/1036356821.db2.gz LLFZCHMDKAMTEB-UHFFFAOYSA-N 0 1 340.301 3.917 20 5 EHBDMN CC(C)(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000054397277 1036364422 /nfs/dbraw/zinc/36/44/22/1036364422.db2.gz XUBLTDOAGQWPNA-QGZVFWFLSA-N 0 1 341.411 3.571 20 5 EHBDMN Cc1cc(N2CCN([C@H](C)c3ccsc3)CC2)ccc1[N+](=O)[O-] ZINC000462694775 1037287304 /nfs/dbraw/zinc/28/73/04/1037287304.db2.gz HDHBXFYMQLKKHW-CQSZACIVSA-N 0 1 331.441 3.848 20 5 EHBDMN Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1 ZINC000539854211 1037295012 /nfs/dbraw/zinc/29/50/12/1037295012.db2.gz NUGZNLRXPCLAEO-UHFFFAOYSA-N 0 1 340.788 3.666 20 5 EHBDMN CC(C)CC1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000760927356 1037825979 /nfs/dbraw/zinc/82/59/79/1037825979.db2.gz XJJIKRWYMJFMMZ-UHFFFAOYSA-N 0 1 334.416 3.719 20 5 EHBDMN C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000341293531 1037884043 /nfs/dbraw/zinc/88/40/43/1037884043.db2.gz PSXSRAXARMWZIV-NSHDSACASA-N 0 1 349.337 3.552 20 5 EHBDMN Cc1cnc(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)c(C)c1 ZINC000573961445 1037978281 /nfs/dbraw/zinc/97/82/81/1037978281.db2.gz ROPCJEMWBQIIQP-UHFFFAOYSA-N 0 1 325.412 3.814 20 5 EHBDMN C[C@@H]1CCC[C@H](CN[C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000552047526 1038912817 /nfs/dbraw/zinc/91/28/17/1038912817.db2.gz PMYBUFNFZODFLU-RVKKMQEKSA-N 0 1 342.443 3.834 20 5 EHBDMN COc1c(O)ccc(CN[C@@H]2c3ccccc3CC[C@@H]2C)c1[N+](=O)[O-] ZINC000893269347 1038941323 /nfs/dbraw/zinc/94/13/23/1038941323.db2.gz NWJZKKHFDURHLP-SJCJKPOMSA-N 0 1 342.395 3.722 20 5 EHBDMN COc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000552274210 1039145400 /nfs/dbraw/zinc/14/54/00/1039145400.db2.gz HBRJOOGAUSKDQN-QGZVFWFLSA-N 0 1 326.396 3.983 20 5 EHBDMN CC(C)(C(=O)Nc1nc2ccc(F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000488918098 1039472698 /nfs/dbraw/zinc/47/26/98/1039472698.db2.gz NNJWBCQKEYLUPB-UHFFFAOYSA-N 0 1 342.330 3.527 20 5 EHBDMN Cc1cc(F)ncc1CNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000894082107 1040038720 /nfs/dbraw/zinc/03/87/20/1040038720.db2.gz SAPHBPRQLAWXNB-UHFFFAOYSA-N 0 1 343.280 3.746 20 5 EHBDMN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000120447924 1040119015 /nfs/dbraw/zinc/11/90/15/1040119015.db2.gz CEZIZSDVBZAIFL-UHFFFAOYSA-N 0 1 340.788 3.666 20 5 EHBDMN CCCCC[C@@H]1CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000486813416 1040466558 /nfs/dbraw/zinc/46/65/58/1040466558.db2.gz UXQAOUTWWIDHHB-OAHLLOKOSA-N 0 1 333.432 3.886 20 5 EHBDMN COc1ccccc1[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490340286 1040502194 /nfs/dbraw/zinc/50/21/94/1040502194.db2.gz MHFKEPDJOAERMK-CYBMUJFWSA-N 0 1 330.359 3.732 20 5 EHBDMN CC[C@H](C)[C@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000500115770 1040536985 /nfs/dbraw/zinc/53/69/85/1040536985.db2.gz TVOAWTSJTVJBOY-XHDPSFHLSA-N 0 1 330.388 3.512 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@]2(C1)OCc1ccccc12 ZINC000588492061 1040688188 /nfs/dbraw/zinc/68/81/88/1040688188.db2.gz XJQWKXHIDJBSRI-DASIIQCKSA-N 0 1 336.391 3.739 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000555584063 1040878728 /nfs/dbraw/zinc/87/87/28/1040878728.db2.gz ZGNNDZNUISQMIW-CYBMUJFWSA-N 0 1 330.359 3.732 20 5 EHBDMN CCc1ncc(CN[C@@H](CC)CSc2ccccc2[N+](=O)[O-])o1 ZINC000453389205 1041072167 /nfs/dbraw/zinc/07/21/67/1041072167.db2.gz PQRGBVXJSCGUJG-LBPRGKRZSA-N 0 1 335.429 3.806 20 5 EHBDMN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCCO1 ZINC000511665843 1041448652 /nfs/dbraw/zinc/44/86/52/1041448652.db2.gz STGRGVROAOWALT-CQSZACIVSA-N 0 1 330.384 3.856 20 5 EHBDMN CCc1nc([C@@H](C)NC(=O)c2cc3ccccc3c3cccnc23)n[nH]1 ZINC000344894415 1044662044 /nfs/dbraw/zinc/66/20/44/1044662044.db2.gz MPRKSLWAXDIQHP-GFCCVEGCSA-N 0 1 345.406 3.560 20 5 EHBDMN Cc1ccc(C[C@H](CO)NCc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC001560872630 1126214065 /nfs/dbraw/zinc/21/40/65/1126214065.db2.gz PMFMBNIIOCNOTC-MRXNPFEDSA-N 0 1 348.830 3.558 20 5 EHBDMN O=[N+]([O-])c1ccc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cn1 ZINC000072883481 1126911513 /nfs/dbraw/zinc/91/15/13/1126911513.db2.gz RXCCTQAJAMDPNI-UHFFFAOYSA-N 0 1 346.818 3.720 20 5 EHBDMN O=[N+]([O-])c1ccc(OCCNCc2c(F)ccc(F)c2Cl)cc1 ZINC001649112150 1128291549 /nfs/dbraw/zinc/29/15/49/1128291549.db2.gz MNDGYSZUIRHJDN-UHFFFAOYSA-N 0 1 342.729 3.695 20 5 EHBDMN CN(Cc1ccc([N+](=O)[O-])cc1Br)C(C1CC1)C1CC1 ZINC001116650596 1128705981 /nfs/dbraw/zinc/70/59/81/1128705981.db2.gz BJZBPIVQAGJJCF-UHFFFAOYSA-N 0 1 339.233 3.978 20 5 EHBDMN COCC[C@@H]1CCCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000494634828 1120708537 /nfs/dbraw/zinc/70/85/37/1120708537.db2.gz DWNOQROPNMWIIZ-ZDUSSCGKSA-N 0 1 326.824 3.887 20 5 EHBDMN CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](c2ccccc2)C1 ZINC000301066219 1121298359 /nfs/dbraw/zinc/29/83/59/1121298359.db2.gz JTHGGNYVZYEQCQ-HXUWFJFHSA-N 0 1 348.406 3.636 20 5 EHBDMN CC(=O)c1c(NC[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000763207031 1121876534 /nfs/dbraw/zinc/87/65/34/1121876534.db2.gz OZUNZOXFKHYEIS-QGZVFWFLSA-N 0 1 327.384 3.512 20 5 EHBDMN Cc1cc(S(=O)(=O)Nc2cccc3c2CCCC3)ccc1[N+](=O)[O-] ZINC000609657807 1123636470 /nfs/dbraw/zinc/63/64/70/1123636470.db2.gz FEPYVFVJVCMSSW-UHFFFAOYSA-N 0 1 346.408 3.583 20 5 EHBDMN CC(=O)c1ccc(N[C@H]2CCN(C)[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301845871 1129184571 /nfs/dbraw/zinc/18/45/71/1129184571.db2.gz TXXGTEDYCCIEBF-HKUYNNGSSA-N 0 1 339.395 3.655 20 5 EHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(CCc2cccs2)CC1 ZINC000489304592 1129321044 /nfs/dbraw/zinc/32/10/44/1129321044.db2.gz IPSHZYDOKLHVSD-OAHLLOKOSA-N 0 1 345.468 3.578 20 5 EHBDMN O=[N+]([O-])c1cc(Cl)ccc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000117112663 1129416784 /nfs/dbraw/zinc/41/67/84/1129416784.db2.gz GFDDRMUMWNCWQX-UHFFFAOYSA-N 0 1 347.787 3.721 20 5 EHBDMN CCOCCCN[C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543405239 1129465442 /nfs/dbraw/zinc/46/54/42/1129465442.db2.gz UHVLAABGZZHYDW-GOSISDBHSA-N 0 1 332.400 3.856 20 5 EHBDMN COc1cc2c(c(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000922537844 1129565219 /nfs/dbraw/zinc/56/52/19/1129565219.db2.gz LIHFUPDOFJVSDE-QWHCGFSZSA-N 0 1 342.395 3.778 20 5 EHBDMN CC1(C)C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000330460041 1129637779 /nfs/dbraw/zinc/63/77/79/1129637779.db2.gz QNFIBKLIMQGETR-CYBMUJFWSA-N 0 1 332.322 3.711 20 5 EHBDMN CC1(C)C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000330460041 1129637781 /nfs/dbraw/zinc/63/77/81/1129637781.db2.gz QNFIBKLIMQGETR-CYBMUJFWSA-N 0 1 332.322 3.711 20 5 EHBDMN COc1ccc(CN2CCC(OC3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000125452492 1129693012 /nfs/dbraw/zinc/69/30/12/1129693012.db2.gz IXGLPHSBKXNLIR-UHFFFAOYSA-N 0 1 348.443 3.917 20 5 EHBDMN COc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000392549797 1129717432 /nfs/dbraw/zinc/71/74/32/1129717432.db2.gz YSHSALQLXHUASI-CYBMUJFWSA-N 0 1 330.384 3.771 20 5 EHBDMN Cc1cc(N[C@@H]2CCC[C@H]3OCC[C@H]32)c2cc([N+](=O)[O-])ccc2n1 ZINC000302092622 1129767583 /nfs/dbraw/zinc/76/75/83/1129767583.db2.gz QIXFPNXJCPLHQS-JCKWVBRZSA-N 0 1 327.384 3.821 20 5 EHBDMN Cc1cc(NC[C@@](C)(O)c2cccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302195427 1129772292 /nfs/dbraw/zinc/77/22/92/1129772292.db2.gz SIYUEOHMWSEATR-QGZVFWFLSA-N 0 1 343.408 3.833 20 5 EHBDMN Cc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000056196915 1129805658 /nfs/dbraw/zinc/80/56/58/1129805658.db2.gz VNCSBLGHKWVGPV-GJZGRUSLSA-N 0 1 341.411 3.889 20 5 EHBDMN CC(C)C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000173588685 1130254169 /nfs/dbraw/zinc/25/41/69/1130254169.db2.gz OLDLVKFRFCQHJF-UHFFFAOYSA-N 0 1 330.388 3.513 20 5 EHBDMN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732543583 1130931299 /nfs/dbraw/zinc/93/12/99/1130931299.db2.gz KPSZNGRHTDEGFJ-VIFPVBQESA-N 0 1 344.758 3.616 20 5 EHBDMN C[C@H](C(=O)OCc1ccc(Cl)cc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000741021843 1131570804 /nfs/dbraw/zinc/57/08/04/1131570804.db2.gz QGCGTCIVXUNFRA-GRYCIOLGSA-N 0 1 340.807 3.553 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2Cc3ccccc3N3CCC[C@@H]3C2)cc1F ZINC001175668632 1132734629 /nfs/dbraw/zinc/73/46/29/1132734629.db2.gz FSENKNSDZUOWTN-MRXNPFEDSA-N 0 1 341.386 3.719 20 5 EHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001176061645 1132839056 /nfs/dbraw/zinc/83/90/56/1132839056.db2.gz KWZUMNOFWPOXEY-INIZCTEOSA-N 0 1 348.443 3.740 20 5 EHBDMN COCC[C@@H](c1ccccc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000767118581 1132951601 /nfs/dbraw/zinc/95/16/01/1132951601.db2.gz 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346.393 3.736 20 5 EHBDMN COc1cc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])cc1C ZINC000590571463 1036953867 /nfs/dbraw/zinc/95/38/67/1036953867.db2.gz PCESMCYDMACKIB-OAHLLOKOSA-N 0 1 335.429 3.688 20 5 EHBDMN CC(C)c1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000263532740 1037059958 /nfs/dbraw/zinc/05/99/58/1037059958.db2.gz XNKZNFRQJSFJKK-HFTRVMKXSA-N 0 1 346.427 3.936 20 5 EHBDMN CO[C@H](C)CN(C)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000573018214 1037158702 /nfs/dbraw/zinc/15/87/02/1037158702.db2.gz DTOBMFDDQWCNMZ-CYBMUJFWSA-N 0 1 348.374 3.993 20 5 EHBDMN C[C@H](C(=O)OCc1cc([N+](=O)[O-])ccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000741021670 1037690051 /nfs/dbraw/zinc/69/00/51/1037690051.db2.gz FOXUNYQISOMGJG-GRYCIOLGSA-N 0 1 340.807 3.553 20 5 EHBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](O)[C@H]2CCc2ccccc2)cs1 ZINC000592165653 1037910859 /nfs/dbraw/zinc/91/08/59/1037910859.db2.gz DIOPGRXXXQOAPK-SJORKVTESA-N 0 1 346.452 3.614 20 5 EHBDMN CC[C@@H](O)[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000511562607 1038731708 /nfs/dbraw/zinc/73/17/08/1038731708.db2.gz WUQAULMKRJOFIL-IAGOWNOFSA-N 0 1 336.432 3.507 20 5 EHBDMN CC[C@H](C)c1ccc([C@@H](NC(=O)c2n[nH]cc2[N+](=O)[O-])C(C)C)cc1 ZINC000485227110 1038785920 /nfs/dbraw/zinc/78/59/20/1038785920.db2.gz ZHEIJBXALSCZNF-LRDDRELGSA-N 0 1 344.415 3.959 20 5 EHBDMN CCN(CCc1cccs1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000488364286 1039124622 /nfs/dbraw/zinc/12/46/22/1039124622.db2.gz VTLBTCZBSOIJMJ-ZDUSSCGKSA-N 0 1 347.440 3.548 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1c3ccccc3C[C@@H]1O)CCCC2 ZINC000417309704 1039660792 /nfs/dbraw/zinc/66/07/92/1039660792.db2.gz FIHKFSANGVRIQR-SLFFLAALSA-N 0 1 338.407 3.610 20 5 EHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(CCCc3ccccc3)no2)c1 ZINC000486081133 1039848998 /nfs/dbraw/zinc/84/89/98/1039848998.db2.gz MLKYSWMGZPZNBJ-UHFFFAOYSA-N 0 1 325.324 3.526 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnn(-c2ccccc2)c1 ZINC000129490275 1040504388 /nfs/dbraw/zinc/50/43/88/1040504388.db2.gz QELODEGQEBLWNJ-OAHLLOKOSA-N 0 1 336.395 3.940 20 5 EHBDMN C[C@H]1CCC[C@H](CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)C1 ZINC000490365635 1040516702 /nfs/dbraw/zinc/51/67/02/1040516702.db2.gz LLWVBKODMWODPW-RYUDHWBXSA-N 0 1 343.387 3.535 20 5 EHBDMN CCc1ccc([C@@H](NCCC[C@@H](C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000433057570 1040595157 /nfs/dbraw/zinc/59/51/57/1040595157.db2.gz MLWYGGMNOVAUOV-ACJLOTCBSA-N 0 1 332.400 3.590 20 5 EHBDMN CC(C)c1ccc(CNCc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000080344670 1040980089 /nfs/dbraw/zinc/98/00/89/1040980089.db2.gz APGRTSZCNIKMDQ-XMMPIXPASA-N 0 1 346.452 3.745 20 5 EHBDMN COc1cccc(CNCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)c1 ZINC000278844339 1042079326 /nfs/dbraw/zinc/07/93/26/1042079326.db2.gz WIBKSOHVYRIVQC-UHFFFAOYSA-N 0 1 340.301 3.912 20 5 EHBDMN O=C(Nc1ccc(Cl)c2ncccc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000613873702 1042531614 /nfs/dbraw/zinc/53/16/14/1042531614.db2.gz JVBDJQNXVHDRSR-UHFFFAOYSA-N 0 1 343.726 3.754 20 5 EHBDMN CC1(C)C[C@@H](N[C@@H]2CCCc3c[nH]nc32)c2cc([N+](=O)[O-])ccc21 ZINC000279118023 1043380739 /nfs/dbraw/zinc/38/07/39/1043380739.db2.gz PVMVCVNBTGCICP-HZPDHXFCSA-N 0 1 326.400 3.708 20 5 EHBDMN Cc1nc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000301652743 1128847751 /nfs/dbraw/zinc/84/77/51/1128847751.db2.gz QSMKMAFAFFIHTE-UHFFFAOYSA-N 0 1 347.787 3.888 20 5 EHBDMN Cc1[nH]ncc1CCCNC(=O)c1cc2ccccc2c2cccnc12 ZINC000076451162 1128921235 /nfs/dbraw/zinc/92/12/35/1128921235.db2.gz KMDFVVZKMOCDKM-UHFFFAOYSA-N 0 1 344.418 3.782 20 5 EHBDMN CC(=O)c1ccc(NC[C@H](c2ccc(C)cc2)N(C)C)c([N+](=O)[O-])c1 ZINC000301127081 1122046102 /nfs/dbraw/zinc/04/61/02/1122046102.db2.gz ZUJKSNFTJRQQAG-LJQANCHMSA-N 0 1 341.411 3.821 20 5 EHBDMN C[C@H](NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007783593 1123353434 /nfs/dbraw/zinc/35/34/34/1123353434.db2.gz YYPFYSMFWSFMNZ-NSHDSACASA-N 0 1 333.775 3.538 20 5 EHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](OC(F)F)C1 ZINC000615837609 1123884786 /nfs/dbraw/zinc/88/47/86/1123884786.db2.gz LAPDJOXDGHTNGX-LDCOFTPGSA-N 0 1 326.343 3.702 20 5 EHBDMN COc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000080347354 1129347940 /nfs/dbraw/zinc/34/79/40/1129347940.db2.gz JTEOAMMCTDHKKM-UHFFFAOYSA-N 0 1 330.384 3.637 20 5 EHBDMN CCOCCCN[C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000543405240 1129465428 /nfs/dbraw/zinc/46/54/28/1129465428.db2.gz UHVLAABGZZHYDW-SFHVURJKSA-N 0 1 332.400 3.856 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000543427892 1129482543 /nfs/dbraw/zinc/48/25/43/1129482543.db2.gz GQSWGOGPFVHPIH-SFHVURJKSA-N 0 1 330.359 3.983 20 5 EHBDMN C[C@@H](O)C[C@@H]1CCCCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000318383678 1129504317 /nfs/dbraw/zinc/50/43/17/1129504317.db2.gz CLSQHRJCGPYMRK-OLZOCXBDSA-N 0 1 326.824 3.764 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1nccc2c1CCCC2 ZINC000922464510 1129542093 /nfs/dbraw/zinc/54/20/93/1129542093.db2.gz ZQCHGAQCHLHAGV-UHFFFAOYSA-N 0 1 325.412 3.775 20 5 EHBDMN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccccc1Cl ZINC000131223940 1129777236 /nfs/dbraw/zinc/77/72/36/1129777236.db2.gz ZIFLEOXYEIKEBG-UHFFFAOYSA-N 0 1 347.179 3.702 20 5 EHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl ZINC000056196897 1129805638 /nfs/dbraw/zinc/80/56/38/1129805638.db2.gz FJZVWWJBUHAAIJ-RYUDHWBXSA-N 0 1 347.802 3.926 20 5 EHBDMN Cc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000056196534 1129805958 /nfs/dbraw/zinc/80/59/58/1129805958.db2.gz SFRHNZAVTFYKIL-CHWSQXEVSA-N 0 1 345.374 3.720 20 5 EHBDMN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc2c(c1)CCC2 ZINC001168741947 1129839474 /nfs/dbraw/zinc/83/94/74/1129839474.db2.gz VQHPSCJOVYTFCA-GFCCVEGCSA-N 0 1 336.395 3.811 20 5 EHBDMN Cc1ncc2c(n1)CCC[C@@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000766046226 1129939846 /nfs/dbraw/zinc/93/98/46/1129939846.db2.gz WQGBMMOFDUYDOM-WBMJQRKESA-N 0 1 326.400 3.730 20 5 EHBDMN O=[N+]([O-])c1cccc(CN(CCCO)Cc2cccc(Cl)c2)c1 ZINC000134292258 1129990020 /nfs/dbraw/zinc/99/00/20/1129990020.db2.gz GNUCQSDQOSGSDN-UHFFFAOYSA-N 0 1 334.803 3.633 20 5 EHBDMN Cc1nc(C(C)(C)NCCOc2ccc([N+](=O)[O-])cc2)sc1C ZINC000173953846 1130325137 /nfs/dbraw/zinc/32/51/37/1130325137.db2.gz IKUAQCZXYOXNQO-UHFFFAOYSA-N 0 1 335.429 3.572 20 5 EHBDMN CC(C)[C@@H]1CCCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1 ZINC000742152849 1131694017 /nfs/dbraw/zinc/69/40/17/1131694017.db2.gz KGKYNIYGTJBVMI-OAHLLOKOSA-N 0 1 343.431 3.569 20 5 EHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1c(-c2ccccc2)cnc1CN ZINC001173229163 1132008019 /nfs/dbraw/zinc/00/80/19/1132008019.db2.gz LSIKTYSMNFPHNO-AWEZNQCLSA-N 0 1 336.395 3.721 20 5 EHBDMN NC(=O)c1ccccc1Nc1ccc2cc3ccc(N)cc3nc2c1 ZINC001173984681 1132194734 /nfs/dbraw/zinc/19/47/34/1132194734.db2.gz YZWLTSVMQVKIFC-UHFFFAOYSA-N 0 1 328.375 3.813 20 5 EHBDMN Nc1cncc(S(=O)(=O)Nc2cc3ccccc3c3ccccc23)c1 ZINC001175111877 1132557117 /nfs/dbraw/zinc/55/71/17/1132557117.db2.gz FXHXUQCTRPFIDD-UHFFFAOYSA-N 0 1 349.415 3.771 20 5 EHBDMN CCC1(CC)CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001169430840 1132761675 /nfs/dbraw/zinc/76/16/75/1132761675.db2.gz IHMOGCWKBHOUSB-AWEZNQCLSA-N 0 1 333.432 3.824 20 5 EHBDMN Cc1ccc(CN[C@H]2CCCc3cnn(C(C)C)c32)cc1[N+](=O)[O-] ZINC001178430540 1133162999 /nfs/dbraw/zinc/16/29/99/1133162999.db2.gz IBVWJYBTNHDCIF-INIZCTEOSA-N 0 1 328.416 3.848 20 5 EHBDMN CCOc1ccc2c(c1)c(=N)c1ccc(N)cc1n2C(=O)[C@H]1C[C@@H]1C ZINC001178561502 1133181234 /nfs/dbraw/zinc/18/12/34/1133181234.db2.gz QYMSDAUZAZWXDJ-NHYWBVRUSA-N 0 1 335.407 3.551 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cccc2[nH]ncc21 ZINC000785590492 1133724089 /nfs/dbraw/zinc/72/40/89/1133724089.db2.gz DFQXUMWEALFHJR-NSHDSACASA-N 0 1 325.324 3.698 20 5 EHBDMN Cc1csc2nc(C)c(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)n12 ZINC001183788027 1133858244 /nfs/dbraw/zinc/85/82/44/1133858244.db2.gz HCYIYGUPSAFTRZ-NSHDSACASA-N 0 1 330.413 3.772 20 5 EHBDMN Cc1ccc(C[C@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000774905543 1134114072 /nfs/dbraw/zinc/11/40/72/1134114072.db2.gz QMMPREZVCNWCGA-AWEZNQCLSA-N 0 1 343.383 3.874 20 5 EHBDMN Cc1nc(SCc2cccnc2[N+](=O)[O-])[nH]c1-c1ccccc1 ZINC001189173588 1134553642 /nfs/dbraw/zinc/55/36/42/1134553642.db2.gz JGBPISGATATPNB-UHFFFAOYSA-N 0 1 326.381 3.981 20 5 EHBDMN COc1ccc(C[C@H](C)N2CCc3ccc(F)cc3C2)c([N+](=O)[O-])c1 ZINC001170352654 1134754007 /nfs/dbraw/zinc/75/40/07/1134754007.db2.gz PLYQPANNDFNPRP-ZDUSSCGKSA-N 0 1 344.386 3.732 20 5 EHBDMN CC(C)[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792879802 1134812687 /nfs/dbraw/zinc/81/26/87/1134812687.db2.gz LEENVLNJIGPILY-LLVKDONJSA-N 0 1 335.282 3.570 20 5 EHBDMN C[C@H](Cc1cccs1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001191464695 1134876389 /nfs/dbraw/zinc/87/63/89/1134876389.db2.gz MVBUOYHJEBPXEB-LLVKDONJSA-N 0 1 330.413 3.596 20 5 EHBDMN CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001129734158 1135147132 /nfs/dbraw/zinc/14/71/32/1135147132.db2.gz PBZDWBSMHIQOLE-CHWSQXEVSA-N 0 1 344.415 3.807 20 5 EHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001197203119 1135659285 /nfs/dbraw/zinc/65/92/85/1135659285.db2.gz RNMMTTNYWJOCTP-AWEZNQCLSA-N 0 1 333.388 3.905 20 5 EHBDMN CN(C)c1ccccc1CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000808785602 1135737491 /nfs/dbraw/zinc/73/74/91/1135737491.db2.gz MGLQIQUBSJQODU-UHFFFAOYSA-N 0 1 333.819 3.946 20 5 EHBDMN O=[N+]([O-])c1ccc(CNCc2ccnc(N3CCCC3)c2)cc1Cl ZINC000809793638 1135893218 /nfs/dbraw/zinc/89/32/18/1135893218.db2.gz JDFDZKFMGIWKEP-UHFFFAOYSA-N 0 1 346.818 3.533 20 5 EHBDMN CN(Cc1c(Br)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000769192735 1135997292 /nfs/dbraw/zinc/99/72/92/1135997292.db2.gz YRPSQCYNLHXANE-UHFFFAOYSA-N 0 1 339.233 3.978 20 5 EHBDMN CC(C)OCCONc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000812488633 1136213519 /nfs/dbraw/zinc/21/35/19/1136213519.db2.gz IYMGOFYYKKSNTD-UHFFFAOYSA-N 0 1 335.335 3.564 20 5 EHBDMN CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850770 1136261034 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O=[N+]([O-])c1ccc(O)cc1CN(Cc1cccs1)CC(F)(F)F ZINC000339056892 1137189580 /nfs/dbraw/zinc/18/95/80/1137189580.db2.gz OHCKGZZZODMKRK-UHFFFAOYSA-N 0 1 346.330 3.926 20 5 EHBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000339071165 1137248507 /nfs/dbraw/zinc/24/85/07/1137248507.db2.gz RRBYLCFJHKPGCA-SNVBAGLBSA-N 0 1 338.310 3.753 20 5 EHBDMN COc1cc2c(c(CNCc3ccc(C)c([N+](=O)[O-])c3)c1)O[C@@H](C)C2 ZINC000865786799 1137311919 /nfs/dbraw/zinc/31/19/19/1137311919.db2.gz CLTHABRQAOGROS-ZDUSSCGKSA-N 0 1 342.395 3.525 20 5 EHBDMN C[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872017902 1137564792 /nfs/dbraw/zinc/56/47/92/1137564792.db2.gz GUWQZFMHHLPXOD-ABAIWWIYSA-N 0 1 337.420 3.749 20 5 EHBDMN C[C@@H](NC[C@@H](O)c1ccccc1Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872047159 1137567681 /nfs/dbraw/zinc/56/76/81/1137567681.db2.gz BUGFPBIJGPNMFO-MEBBXXQBSA-N 0 1 338.766 3.772 20 5 EHBDMN C[C@H](NCCc1cccc([N+](=O)[O-])c1)c1c(F)cccc1[N+](=O)[O-] ZINC000872053529 1137568288 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3.529 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000873112502 1137590309 /nfs/dbraw/zinc/59/03/09/1137590309.db2.gz USYRADCJKPPWMK-MRXNPFEDSA-N 0 1 330.359 3.964 20 5 EHBDMN Cc1c(CN[C@H](c2ccccc2)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000873138762 1137591220 /nfs/dbraw/zinc/59/12/20/1137591220.db2.gz MPVLWTWLLQXQRF-MOPGFXCFSA-N 0 1 328.412 3.751 20 5 EHBDMN CC(C)n1ncc2cc(CN[C@@H](C)c3ccccc3[N+](=O)[O-])cnc21 ZINC000873183637 1137592860 /nfs/dbraw/zinc/59/28/60/1137592860.db2.gz XZOWJMWDIICQNA-ZDUSSCGKSA-N 0 1 339.399 3.771 20 5 EHBDMN CC[C@H](C)CN(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878092963 1137702112 /nfs/dbraw/zinc/70/21/12/1137702112.db2.gz CQTNLAYEUMHKDG-JTQLQIEISA-N 0 1 338.795 3.776 20 5 EHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H](Cn1ccnc1)c1ccccc1 ZINC000883387722 1137858994 /nfs/dbraw/zinc/85/89/94/1137858994.db2.gz CUTYDKJKPWUWIJ-OALUTQOASA-N 0 1 348.406 3.810 20 5 EHBDMN O=[N+]([O-])c1cccc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000073106417 1138110918 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20 5 EHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000185497069 1140152868 /nfs/dbraw/zinc/15/28/68/1140152868.db2.gz HHWXLCXMADBBHW-OAHLLOKOSA-N 0 1 326.396 3.639 20 5 EHBDMN CO[C@H]1CCCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266141151 1140645785 /nfs/dbraw/zinc/64/57/85/1140645785.db2.gz HHIXPLFBBRKPCE-CVEARBPZSA-N 0 1 347.440 3.766 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N(Cc2ccco2)C2CCCC2)c1[N+](=O)[O-] ZINC000269488907 1141115076 /nfs/dbraw/zinc/11/50/76/1141115076.db2.gz XKHXFZKFTGUFIE-UHFFFAOYSA-N 0 1 346.387 3.619 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN(CCC(F)(F)F)CC(F)(F)F ZINC000339138345 1141506748 /nfs/dbraw/zinc/50/67/48/1141506748.db2.gz LETVKZNRKAJFSM-UHFFFAOYSA-N 0 1 346.227 3.617 20 5 EHBDMN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283143443 1141561601 /nfs/dbraw/zinc/56/16/01/1141561601.db2.gz ODEZXFGDSVIJJB-AWEZNQCLSA-N 0 1 332.375 3.507 20 5 EHBDMN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1C(=O)[O-] ZINC000736471641 600089066 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20 5 EHBDMN CC[C@H](NCC(=O)N[C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181551156 1139914962 /nfs/dbraw/zinc/91/49/62/1139914962.db2.gz NHDBNDFEALAWAJ-KSSFIOAISA-N 0 1 341.411 3.513 20 5 EHBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)c1cccc(F)c1 ZINC000267252571 1140772742 /nfs/dbraw/zinc/77/27/42/1140772742.db2.gz ZSSGJPFCSOWWBK-QLJPJBMISA-N 0 1 338.766 3.599 20 5 EHBDMN CCc1nc2c(s1)[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000268856415 1141009134 /nfs/dbraw/zinc/00/91/34/1141009134.db2.gz URUGIYVVPVTZDV-LBPRGKRZSA-N 0 1 347.440 3.790 20 5 EHBDMN CCC[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000269126631 1141069309 /nfs/dbraw/zinc/06/93/09/1141069309.db2.gz YSQKEXXWYNHPGQ-OTWHNJEPSA-N 0 1 326.396 3.684 20 5 EHBDMN CC(C)N(Cc1cnc(N(C)C)s1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271077720 1141305784 /nfs/dbraw/zinc/30/57/84/1141305784.db2.gz PJGOCBNGTDAWOC-UHFFFAOYSA-N 0 1 334.445 3.528 20 5 EHBDMN Cc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1[N+](=O)[O-] ZINC000271225743 1141328685 /nfs/dbraw/zinc/32/86/85/1141328685.db2.gz AMLZDCNJGAVITK-DOTOQJQBSA-N 0 1 330.384 3.584 20 5 EHBDMN CC(C)OC(=O)C[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000274275497 1141492143 /nfs/dbraw/zinc/49/21/43/1141492143.db2.gz BYVYDFNBGKKQDA-CABCVRRESA-N 0 1 334.416 3.710 20 5 EHBDMN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC000829026129 604652781 /nfs/dbraw/zinc/65/27/81/604652781.db2.gz GXRYUCMCGSFQHZ-INIZCTEOSA-N 0 1 328.368 3.633 20 5 EHBDMN O=C([O-])[C@@H](c1ccccc1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000519183419 974327590 /nfs/dbraw/zinc/32/75/90/974327590.db2.gz QFVHBMGQDOADNF-FUHWJXTLSA-N 0 1 340.379 3.600 20 5 EHBDMN Cc1ccc2nc([C@@H]3CCCN3c3ncc([N+](=O)[O-])s3)[nH]c2c1 ZINC000548823258 1032088158 /nfs/dbraw/zinc/08/81/58/1032088158.db2.gz WTBIASBRLKLCHW-LBPRGKRZSA-N 0 1 329.385 3.578 20 5 EHBDMN CCOc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000153948304 1014633193 /nfs/dbraw/zinc/63/31/93/1014633193.db2.gz LSRPKBCMEPXYRP-RHSMWYFYSA-N 0 1 344.411 3.768 20 5 EHBDMN C[C@@H](NCc1ccc2c(c1)OCCCCO2)c1ccccc1[N+](=O)[O-] ZINC000449201935 1032326840 /nfs/dbraw/zinc/32/68/40/1032326840.db2.gz HVBBDSPDIGMNRY-CQSZACIVSA-N 0 1 342.395 3.997 20 5 EHBDMN CC(C)[C@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000449223162 1032340810 /nfs/dbraw/zinc/34/08/10/1032340810.db2.gz JJFCNZVLJXUWHV-WBMJQRKESA-N 0 1 344.415 3.773 20 5 EHBDMN CC[C@H](C)c1nnc([C@@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449288416 1032406189 /nfs/dbraw/zinc/40/61/89/1032406189.db2.gz ZUHNWHBRFYTESK-RWMBFGLXSA-N 0 1 331.420 3.508 20 5 EHBDMN CC(C)(CO)[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1cccs1 ZINC000289925290 1032675295 /nfs/dbraw/zinc/67/52/95/1032675295.db2.gz UWVCTJKUORPIMC-HNNXBMFYSA-N 0 1 338.404 3.645 20 5 EHBDMN Cc1ccc(CN[C@@H]2CC(C)(C)Oc3ccc(N)cc32)cc1[N+](=O)[O-] ZINC000415020558 1017408599 /nfs/dbraw/zinc/40/85/99/1017408599.db2.gz GUJQENOLOLEFQH-MRXNPFEDSA-N 0 1 341.411 3.877 20 5 EHBDMN COc1c(O)ccc(CN[C@H]2CCCc3ccc(F)cc32)c1[N+](=O)[O-] ZINC000894160335 1018757318 /nfs/dbraw/zinc/75/73/18/1018757318.db2.gz BMWPOCZSSOPVCZ-HNNXBMFYSA-N 0 1 346.358 3.615 20 5 EHBDMN O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCCC2(CCCC2)CC1 ZINC000597953198 1032795843 /nfs/dbraw/zinc/79/58/43/1032795843.db2.gz BLOBQNDCERXJNU-UHFFFAOYSA-N 0 1 342.399 3.658 20 5 EHBDMN Cc1nc2ccc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[nH]1 ZINC000054535923 1032843407 /nfs/dbraw/zinc/84/34/07/1032843407.db2.gz YGOLYKQCUWYSSU-UHFFFAOYSA-N 0 1 342.380 3.510 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](C(C)C)CC1 ZINC001167425622 1019768391 /nfs/dbraw/zinc/76/83/91/1019768391.db2.gz RVBQUUDJKAERGT-OAHLLOKOSA-N 0 1 333.432 3.600 20 5 EHBDMN CC[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCCO1 ZINC000594040400 1032860710 /nfs/dbraw/zinc/86/07/10/1032860710.db2.gz FLAVSUSGIZRYLN-SJORKVTESA-N 0 1 345.399 3.687 20 5 EHBDMN COc1ccccc1[C@@H]1CC[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000157798464 1032880722 /nfs/dbraw/zinc/88/07/22/1032880722.db2.gz MHAKRXHQRNFHDL-CYBMUJFWSA-N 0 1 330.359 3.732 20 5 EHBDMN COc1ccccc1[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000157798464 1032880736 /nfs/dbraw/zinc/88/07/36/1032880736.db2.gz MHAKRXHQRNFHDL-CYBMUJFWSA-N 0 1 330.359 3.732 20 5 EHBDMN Cc1c(NS(=O)(=O)c2csc3ccccc32)cccc1[N+](=O)[O-] ZINC000506596465 1021505093 /nfs/dbraw/zinc/50/50/93/1021505093.db2.gz USSILBQCKIHMBL-UHFFFAOYSA-N 0 1 348.405 3.919 20 5 EHBDMN CC(C)[C@@H](CC(F)(F)F)NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000438481640 1021564136 /nfs/dbraw/zinc/56/41/36/1021564136.db2.gz YEGPUUPBQJKGLR-CYBMUJFWSA-N 0 1 348.321 3.528 20 5 EHBDMN CC(C)OC(=O)C[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000184454879 1022340747 /nfs/dbraw/zinc/34/07/47/1022340747.db2.gz JWGNADFEJGZPTM-GJZGRUSLSA-N 0 1 334.416 3.710 20 5 EHBDMN Cn1ccnc1[C@H](C1CC1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602686082 1033067088 /nfs/dbraw/zinc/06/70/88/1033067088.db2.gz VKHLNCMMLGMELX-WMZOPIPTSA-N 0 1 340.427 3.659 20 5 EHBDMN Cn1ccnc1[C@@H](N[C@@H]1CCCC2(CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000897774527 1033159781 /nfs/dbraw/zinc/15/97/81/1033159781.db2.gz SCOCDHMIKGJLTJ-WBVHZDCISA-N 0 1 340.427 3.730 20 5 EHBDMN CCO[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000610930480 1023877715 /nfs/dbraw/zinc/87/77/15/1023877715.db2.gz ROADPMCUZVXJHZ-CQSZACIVSA-N 0 1 330.384 3.856 20 5 EHBDMN O=[N+]([O-])c1cccc(CN[C@@H](c2cccs2)C2(CO)CCC2)c1 ZINC000449770913 1033187343 /nfs/dbraw/zinc/18/73/43/1033187343.db2.gz XMZDIZWCNQVHCJ-INIZCTEOSA-N 0 1 332.425 3.650 20 5 EHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)cn1 ZINC000520782971 1024740764 /nfs/dbraw/zinc/74/07/64/1024740764.db2.gz ODOIWJSBVVFLSF-UHFFFAOYSA-N 0 1 333.760 3.580 20 5 EHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nc(C(C)(C)C)co1 ZINC000897944854 1033254168 /nfs/dbraw/zinc/25/41/68/1033254168.db2.gz UHJMLJOLNBTYQM-CYBMUJFWSA-N 0 1 331.416 3.991 20 5 EHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)C[C@@H]1OCCc2ccccc21 ZINC000515333664 1025176670 /nfs/dbraw/zinc/17/66/70/1025176670.db2.gz ZSWZTAMRQRHYIU-IBGZPJMESA-N 0 1 326.396 3.649 20 5 EHBDMN C[C@@H]1C[C@]1(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000505724640 1025221122 /nfs/dbraw/zinc/22/11/22/1025221122.db2.gz DVKOZUMFEKIRCA-BMLIUANNSA-N 0 1 346.770 3.619 20 5 EHBDMN COc1cc(C(C)=O)ccc1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436472746 1025763773 /nfs/dbraw/zinc/76/37/73/1025763773.db2.gz AGVVVBZZVANNRJ-UHFFFAOYSA-N 0 1 333.365 3.804 20 5 EHBDMN CCC(=O)c1ccc(O)c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000436647869 1025997823 /nfs/dbraw/zinc/99/78/23/1025997823.db2.gz RODUREQNOAPLPZ-UHFFFAOYSA-N 0 1 334.353 3.515 20 5 EHBDMN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1F ZINC000478328261 1026066656 /nfs/dbraw/zinc/06/66/56/1026066656.db2.gz PCWOAYNCGHODCG-GTNSWQLSSA-N 0 1 336.338 3.739 20 5 EHBDMN COC(=O)c1oc([C@H](C)N(C)CCc2ccccc2[N+](=O)[O-])cc1C ZINC000511122016 1026219571 /nfs/dbraw/zinc/21/95/71/1026219571.db2.gz LZDOZCGDIGEFGQ-ZDUSSCGKSA-N 0 1 346.383 3.518 20 5 EHBDMN CO[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1(C)C ZINC000531240425 1026716850 /nfs/dbraw/zinc/71/68/50/1026716850.db2.gz RIFZLHGNHHFWFW-HUUCEWRRSA-N 0 1 347.440 3.621 20 5 EHBDMN O=[N+]([O-])c1ccccc1C[C@H](Nc1cnn(-c2ccncc2)c1)C1CC1 ZINC000611480838 1027016961 /nfs/dbraw/zinc/01/69/61/1027016961.db2.gz GFLYEJPVZIWEHV-SFHVURJKSA-N 0 1 349.394 3.609 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000237095854 1027524893 /nfs/dbraw/zinc/52/48/93/1027524893.db2.gz DOKIZWFZECSRKJ-KRWDZBQOSA-N 0 1 341.411 3.680 20 5 EHBDMN CC[C@H]1CCCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000533435389 1027875138 /nfs/dbraw/zinc/87/51/38/1027875138.db2.gz WJKGYXCQRINMJF-GJZGRUSLSA-N 0 1 333.432 3.742 20 5 EHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CC[C@H](Cc4ccccc4)C3)nc2c1 ZINC000444653933 1028116583 /nfs/dbraw/zinc/11/65/83/1028116583.db2.gz VUAYNUXDIAOCQX-OAHLLOKOSA-N 0 1 336.395 3.536 20 5 EHBDMN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000355739816 1029047560 /nfs/dbraw/zinc/04/75/60/1029047560.db2.gz JHNRTGOLNAWXPN-RYUDHWBXSA-N 0 1 336.823 3.606 20 5 EHBDMN C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C(=O)[O-] ZINC000424411739 1029055732 /nfs/dbraw/zinc/05/57/32/1029055732.db2.gz BNTJTABGJNQXHW-SJKOYZFVSA-N 0 1 344.367 3.540 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nnc(CN3CCCC4(CCCC4)C3)o2)cc1 ZINC000615000593 1029214052 /nfs/dbraw/zinc/21/40/52/1029214052.db2.gz GQCYCHOTPHQQAI-UHFFFAOYSA-N 0 1 342.399 3.801 20 5 EHBDMN COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000520307477 1030056304 /nfs/dbraw/zinc/05/63/04/1030056304.db2.gz CKGILRYZLBFEFY-KRWDZBQOSA-N 0 1 345.399 3.836 20 5 EHBDMN CCc1ccc([C@H](NCCC2(CO)CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000453327699 1030109261 /nfs/dbraw/zinc/10/92/61/1030109261.db2.gz AYEMUHMFZQKXRI-GOSISDBHSA-N 0 1 344.411 3.592 20 5 EHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ncccc1OC ZINC000453374797 1030193963 /nfs/dbraw/zinc/19/39/63/1030193963.db2.gz SXSVOFAPCKINSB-ZDUSSCGKSA-N 0 1 347.440 3.659 20 5 EHBDMN Cc1c([C@H](C)NCc2ccc(OC(C)C)nc2)cccc1[N+](=O)[O-] ZINC000160071091 1030520736 /nfs/dbraw/zinc/52/07/36/1030520736.db2.gz LUIKONNCVSJLQJ-AWEZNQCLSA-N 0 1 329.400 3.936 20 5 EHBDMN CCCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000551113174 1031043023 /nfs/dbraw/zinc/04/30/23/1031043023.db2.gz WXCYMLIRMLRESH-HNNXBMFYSA-N 0 1 341.411 3.834 20 5 EHBDMN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(C)(C)C)C1 ZINC000483254982 1031067715 /nfs/dbraw/zinc/06/77/15/1031067715.db2.gz IWTQSZFLWAFKHE-UONOGXRCSA-N 0 1 333.432 3.680 20 5 EHBDMN CCSc1cc(CN[C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)ccn1 ZINC000903153902 1031252743 /nfs/dbraw/zinc/25/27/43/1031252743.db2.gz PNFOCHOVGQTBRD-LBPRGKRZSA-N 0 1 347.440 3.961 20 5 EHBDMN CCN(CCc1cccs1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343559061 1031397305 /nfs/dbraw/zinc/39/73/05/1031397305.db2.gz BMAWNEFCSFKXJG-CYBMUJFWSA-N 0 1 347.440 3.548 20 5 EHBDMN CC(C)CCN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)C1CC1 ZINC000448655999 1031397590 /nfs/dbraw/zinc/39/75/90/1031397590.db2.gz LZYNDGDCJBSXDO-UHFFFAOYSA-N 0 1 342.399 3.636 20 5 EHBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[nH]n1 ZINC000161237211 1031414977 /nfs/dbraw/zinc/41/49/77/1031414977.db2.gz YGLYLPYYFPDLSY-QMMMGPOBSA-N 0 1 328.294 3.688 20 5 EHBDMN CC(C)(C)c1ccc(NC(=O)c2ccc3cncn3c2)cc1[N+](=O)[O-] ZINC000551689495 1031559250 /nfs/dbraw/zinc/55/92/50/1031559250.db2.gz NAWDHTHNUHJHGH-UHFFFAOYSA-N 0 1 338.367 3.792 20 5 EHBDMN CC(C)c1nc([C@@H](C)N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n[nH]1 ZINC000278597185 1031582798 /nfs/dbraw/zinc/58/27/98/1031582798.db2.gz AJDYBHQUBMWJLP-ABAIWWIYSA-N 0 1 343.431 3.910 20 5 EHBDMN CC(C)(C)[C@@H]1CCCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000448911302 1031915371 /nfs/dbraw/zinc/91/53/71/1031915371.db2.gz PTRFDTKHXZMDIP-INIZCTEOSA-N 0 1 342.399 3.636 20 5 EHBDMN Cc1nn(CN(C)CCc2ccc(F)cc2)c2cc([N+](=O)[O-])ccc12 ZINC000761288583 1033483304 /nfs/dbraw/zinc/48/33/04/1033483304.db2.gz SWZKNIBNSCMMTQ-UHFFFAOYSA-N 0 1 342.374 3.524 20 5 EHBDMN CN(CCC(=O)Nc1ccccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000026349244 1033536394 /nfs/dbraw/zinc/53/63/94/1033536394.db2.gz KBIBTIQEZYNZDD-UHFFFAOYSA-N 0 1 347.802 3.709 20 5 EHBDMN C[C@@H](COc1c(F)cccc1F)NCc1ccc([N+](=O)[O-])cc1F ZINC000594972959 1033578417 /nfs/dbraw/zinc/57/84/17/1033578417.db2.gz GEQVBUJANOMSAZ-JTQLQIEISA-N 0 1 340.301 3.569 20 5 EHBDMN CC(C)C(CN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000557393532 1033596526 /nfs/dbraw/zinc/59/65/26/1033596526.db2.gz TVCMMQFLLXUGMP-GOSISDBHSA-N 0 1 344.459 3.936 20 5 EHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](OC)c1ccccc1 ZINC000595019473 1033612822 /nfs/dbraw/zinc/61/28/22/1033612822.db2.gz WKHINPOVEZNQTB-ACJLOTCBSA-N 0 1 330.384 3.642 20 5 EHBDMN CCc1cnccc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595029586 1033650480 /nfs/dbraw/zinc/65/04/80/1033650480.db2.gz ZREGFAXQTFPQSW-QWHCGFSZSA-N 0 1 329.400 3.973 20 5 EHBDMN Cn1ncc(C2CCC2)c1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000595101604 1033688126 /nfs/dbraw/zinc/68/81/26/1033688126.db2.gz XIYYKHZGUQYEAU-SFHVURJKSA-N 0 1 340.427 3.763 20 5 EHBDMN CCOc1ccc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595102449 1033691292 /nfs/dbraw/zinc/69/12/92/1033691292.db2.gz IAGDEMLFJQFDGW-NJSLBKSFSA-N 0 1 344.411 3.766 20 5 EHBDMN Cc1c([C@H](C)NCc2c(C(F)(F)F)cnn2C)cccc1[N+](=O)[O-] ZINC000599059996 1033699274 /nfs/dbraw/zinc/69/92/74/1033699274.db2.gz KYJLMYWNRIDHLW-JTQLQIEISA-N 0 1 342.321 3.506 20 5 EHBDMN Cc1c(C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000595279910 1033727157 /nfs/dbraw/zinc/72/71/57/1033727157.db2.gz FGXGCSFDDSHVML-SJLPKXTDSA-N 0 1 346.427 3.759 20 5 EHBDMN Cc1noc(CN(C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)c1[N+](=O)[O-] ZINC000595327722 1033728721 /nfs/dbraw/zinc/72/87/21/1033728721.db2.gz RHQZDZMLUCNZRI-CVEARBPZSA-N 0 1 329.400 3.968 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN(CCCO)[C@H]1CCc2ccccc21 ZINC000595343396 1033734464 /nfs/dbraw/zinc/73/44/64/1033734464.db2.gz QBZXIUHVAYEXIB-SFHVURJKSA-N 0 1 344.386 3.606 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000595418029 1033792311 /nfs/dbraw/zinc/79/23/11/1033792311.db2.gz NHOLPJJANCZFDK-CRAIPNDOSA-N 0 1 330.359 3.601 20 5 EHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000595419292 1033793081 /nfs/dbraw/zinc/79/30/81/1033793081.db2.gz KDVWPSDHBQVCGR-KBXCAEBGSA-N 0 1 344.386 3.991 20 5 EHBDMN CCOc1ccc2c(c1)[C@H](NCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000089513464 1033871918 /nfs/dbraw/zinc/87/19/18/1033871918.db2.gz FELXEBJYBQEBHP-QGZVFWFLSA-N 0 1 328.368 3.607 20 5 EHBDMN CC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000608778114 1033885611 /nfs/dbraw/zinc/88/56/11/1033885611.db2.gz YPJNXQPBQOUCPF-CQSZACIVSA-N 0 1 330.388 3.560 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000593747739 1033916269 /nfs/dbraw/zinc/91/62/69/1033916269.db2.gz BAYQTHCWZHWKJL-KGLIPLIRSA-N 0 1 334.416 3.787 20 5 EHBDMN CCCN(Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000550730489 1033956874 /nfs/dbraw/zinc/95/68/74/1033956874.db2.gz SZNIRWXUIWDTDV-HNNXBMFYSA-N 0 1 341.411 3.834 20 5 EHBDMN Cc1cc(NC2CCN([C@@H](C)c3ccncc3)CC2)c([N+](=O)[O-])s1 ZINC000596171015 1034118409 /nfs/dbraw/zinc/11/84/09/1034118409.db2.gz CNNKDQPBLRSCQO-ZDUSSCGKSA-N 0 1 346.456 3.997 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nc(CSc3nc(C4CC4)n[nH]3)co2)cc1 ZINC000089634906 1034511396 /nfs/dbraw/zinc/51/13/96/1034511396.db2.gz MNBJIMNNRNJRDK-UHFFFAOYSA-N 0 1 343.368 3.538 20 5 EHBDMN O=[N+]([O-])c1ccc(-c2nc(CSc3n[nH]c(C4CC4)n3)co2)cc1 ZINC000089634906 1034511410 /nfs/dbraw/zinc/51/14/10/1034511410.db2.gz MNBJIMNNRNJRDK-UHFFFAOYSA-N 0 1 343.368 3.538 20 5 EHBDMN Cc1c(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cccc1[N+](=O)[O-] ZINC000179845085 1034769968 /nfs/dbraw/zinc/76/99/68/1034769968.db2.gz UAWBDTZLGBCSSF-UHFFFAOYSA-N 0 1 346.293 3.969 20 5 EHBDMN CCc1ccc([C@@H](NCC[C@H](C)OC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612408350 1034890335 /nfs/dbraw/zinc/89/03/35/1034890335.db2.gz WXOBGLJJXKKGCJ-UGSOOPFHSA-N 0 1 332.400 3.854 20 5 EHBDMN CCc1ccc([C@H](NCCN2CCCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612406304 1034898336 /nfs/dbraw/zinc/89/83/36/1034898336.db2.gz DDYNGXDCJXXKMX-LJQANCHMSA-N 0 1 343.427 3.525 20 5 EHBDMN CC(C)[C@H]1N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC12CCCC2 ZINC000457174658 1035819368 /nfs/dbraw/zinc/81/93/68/1035819368.db2.gz SAJDQTDWNJLKHM-MRXNPFEDSA-N 0 1 342.399 3.512 20 5 EHBDMN Cc1c(NC(=O)CCN(C)Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000026224721 1036394059 /nfs/dbraw/zinc/39/40/59/1036394059.db2.gz VLEDPBRVADMARN-UHFFFAOYSA-N 0 1 345.374 3.503 20 5 EHBDMN CCc1ccc([C@@H](NC[C@@H](C)COC)c2ccc([N+](=O)[O-])cc2)o1 ZINC000541547135 1036426015 /nfs/dbraw/zinc/42/60/15/1036426015.db2.gz AKOHSWOOTBSXPU-ACJLOTCBSA-N 0 1 332.400 3.712 20 5 EHBDMN CCC[C@H]1[C@H](C)CCCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000464736837 1036695265 /nfs/dbraw/zinc/69/52/65/1036695265.db2.gz LTXPSCIYHXSGDB-HIFRSBDPSA-N 0 1 333.432 3.742 20 5 EHBDMN CO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000590173536 1036800991 /nfs/dbraw/zinc/80/09/91/1036800991.db2.gz ZRGHVRUSLXARKY-ZDUSSCGKSA-N 0 1 332.322 3.615 20 5 EHBDMN CCN(C)c1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000191290320 1036886402 /nfs/dbraw/zinc/88/64/02/1036886402.db2.gz DCNYJYNRJANPEO-CQSZACIVSA-N 0 1 328.416 3.605 20 5 EHBDMN CC(C)c1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1[N+](=O)[O-] ZINC000263532741 1037060005 /nfs/dbraw/zinc/06/00/05/1037060005.db2.gz XNKZNFRQJSFJKK-KYJSFNMBSA-N 0 1 346.427 3.936 20 5 EHBDMN CCOc1cc(CN[C@@H](c2cccnc2)C2CC2)ccc1[N+](=O)[O-] ZINC000491596730 1037576807 /nfs/dbraw/zinc/57/68/07/1037576807.db2.gz NJJRJIGRNBMUHV-GOSISDBHSA-N 0 1 327.384 3.629 20 5 EHBDMN COc1cccc(N(CC(C)C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000475884183 1037852395 /nfs/dbraw/zinc/85/23/95/1037852395.db2.gz VMGLGYBHZSDHHJ-UHFFFAOYSA-N 0 1 344.367 3.612 20 5 EHBDMN COc1ccc(CN[C@H](CC(C)C)c2ccncc2)cc1[N+](=O)[O-] ZINC000592387238 1037953284 /nfs/dbraw/zinc/95/32/84/1037953284.db2.gz AGNFMYDOBDCGOK-MRXNPFEDSA-N 0 1 329.400 3.875 20 5 EHBDMN Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000540479037 1037991269 /nfs/dbraw/zinc/99/12/69/1037991269.db2.gz TUJAUNIQCZFNLK-ZDUSSCGKSA-N 0 1 345.374 3.640 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000549996924 1038005607 /nfs/dbraw/zinc/00/56/07/1038005607.db2.gz OCFIRVVQDGWFNX-CQSZACIVSA-N 0 1 344.264 3.833 20 5 EHBDMN COc1ccccc1C[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000058525408 1038046233 /nfs/dbraw/zinc/04/62/33/1038046233.db2.gz PMDAPTNIVKIBRE-HNNXBMFYSA-N 0 1 332.425 3.872 20 5 EHBDMN C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000181580670 1038097466 /nfs/dbraw/zinc/09/74/66/1038097466.db2.gz YOAXSNJHSBTGFS-NSHDSACASA-N 0 1 349.337 3.552 20 5 EHBDMN CC[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000539049349 1038653876 /nfs/dbraw/zinc/65/38/76/1038653876.db2.gz OXFMZCLTSOHXGH-RBUKOAKNSA-N 0 1 325.412 3.822 20 5 EHBDMN CCC(=O)c1ccc(NC[C@@H](c2cccs2)N(C)C)c([N+](=O)[O-])c1 ZINC000479853034 1038785869 /nfs/dbraw/zinc/78/58/69/1038785869.db2.gz RJBNTIOXUUCDCT-HNNXBMFYSA-N 0 1 347.440 3.964 20 5 EHBDMN Cn1ccnc1[C@@H](NCC1(C)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000552275246 1039147293 /nfs/dbraw/zinc/14/72/93/1039147293.db2.gz OXTRUDFLCFJMGN-KRWDZBQOSA-N 0 1 342.443 3.978 20 5 EHBDMN COc1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1O ZINC000417334911 1039692150 /nfs/dbraw/zinc/69/21/50/1039692150.db2.gz FZDSLGSVPMNWKZ-KRWDZBQOSA-N 0 1 342.395 3.866 20 5 EHBDMN CCc1ccc([C@@H](NCCC(C)(C)O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000480722846 1039929683 /nfs/dbraw/zinc/92/96/83/1039929683.db2.gz QJVFVCHFSYWYHF-KRWDZBQOSA-N 0 1 332.400 3.590 20 5 EHBDMN CCOc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000573624408 1040177913 /nfs/dbraw/zinc/17/79/13/1040177913.db2.gz LUKVFDPJIXGHGB-MRXNPFEDSA-N 0 1 330.359 3.910 20 5 EHBDMN COc1cc(CN2CCSC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000490061764 1040331939 /nfs/dbraw/zinc/33/19/39/1040331939.db2.gz TYMHUZJDNNTHLP-UHFFFAOYSA-N 0 1 336.457 3.855 20 5 EHBDMN COc1cc(CN(C)CC(C)(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491110188 1040904740 /nfs/dbraw/zinc/90/47/40/1040904740.db2.gz BXRITLPNFPEYSO-UHFFFAOYSA-N 0 1 346.374 3.725 20 5 EHBDMN CC1(C2CC2)CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000571211411 1041253373 /nfs/dbraw/zinc/25/33/73/1041253373.db2.gz GUXJMKVJFMDSBK-UHFFFAOYSA-N 0 1 342.399 3.657 20 5 EHBDMN COc1cc(CN2CCCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000053778412 1041841317 /nfs/dbraw/zinc/84/13/17/1041841317.db2.gz VLEASBCCASGJFW-UHFFFAOYSA-N 0 1 330.331 3.581 20 5 EHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CC1CCCC1)c1ccccc1 ZINC000342229803 1042841204 /nfs/dbraw/zinc/84/12/04/1042841204.db2.gz VMMPQRFMQXYVJB-INIZCTEOSA-N 0 1 328.416 3.740 20 5 EHBDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000344213846 1043440880 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EHBDMN O=C(Nc1ccc(Cl)cc1O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000153666339 1121566913 /nfs/dbraw/zinc/56/69/13/1121566913.db2.gz JLCQLIMXSXBTGO-UHFFFAOYSA-N 0 1 327.123 3.860 20 5 EHBDMN CN(C)Cc1cc(CNc2c(F)cc([N+](=O)[O-])cc2F)ccc1F ZINC000301758648 1129036505 /nfs/dbraw/zinc/03/65/05/1129036505.db2.gz AOXCEMGNBLGBBK-UHFFFAOYSA-N 0 1 339.317 3.686 20 5 EHBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000557022407 1123268590 /nfs/dbraw/zinc/26/85/90/1123268590.db2.gz LDFOWTBAUHFVEU-CQSZACIVSA-N 0 1 330.359 3.732 20 5 EHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](Nc1cnn(-c3ccncc3)c1)CCC2 ZINC000618574522 1125121818 /nfs/dbraw/zinc/12/18/18/1125121818.db2.gz AREWSXJIDARTBG-GOSISDBHSA-N 0 1 335.367 3.665 20 5 EHBDMN CCC[C@H](NCc1cccc(N(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000090850697 1125169642 /nfs/dbraw/zinc/16/96/42/1125169642.db2.gz RGLYEQXPKDWCRG-KRWDZBQOSA-N 0 1 328.416 3.687 20 5 EHBDMN Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccsc2)cccc1[N+](=O)[O-] ZINC000619746454 1125399627 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EHBDMN COc1cccc([C@@H](CNc2sccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000302010476 1129763371 /nfs/dbraw/zinc/76/33/71/1129763371.db2.gz YGDODTQJMJYACK-MRXNPFEDSA-N 0 1 347.440 3.914 20 5 EHBDMN Cc1cc(N[C@@H](C)C[C@@H](O)c2ccco2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302088406 1129767084 /nfs/dbraw/zinc/76/70/84/1129767084.db2.gz OJOHFICLBUSSNZ-YVEFUNNKSA-N 0 1 341.367 3.969 20 5 EHBDMN Cc1cc2[nH]ncc2cc1Nc1ncc([N+](=O)[O-])cc1Br ZINC000302735735 1129788531 /nfs/dbraw/zinc/78/85/31/1129788531.db2.gz WOBFDXJKNWSQQC-UHFFFAOYSA-N 0 1 348.160 3.681 20 5 EHBDMN COc1ccc(CNCc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] ZINC000494027410 1129905440 /nfs/dbraw/zinc/90/54/40/1129905440.db2.gz MLXPXMLHWLEYEA-UHFFFAOYSA-N 0 1 343.408 3.811 20 5 EHBDMN CC[C@@H](N[C@@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766044569 1129920701 /nfs/dbraw/zinc/92/07/01/1129920701.db2.gz MVFJHYLBIVSPEC-SJLPKXTDSA-N 0 1 326.400 3.812 20 5 EHBDMN CC[C@@H](N[C@H]1CCCc2nc(C)ncc21)c1cccc([N+](=O)[O-])c1 ZINC000766044567 1129920721 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C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-n2cccn2)c(F)c1 ZINC000339425786 1014403850 /nfs/dbraw/zinc/40/38/50/1014403850.db2.gz OEAHUFHEMNHDNU-CYBMUJFWSA-N 0 1 340.358 3.770 20 5 EHBDMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001591600340 992829919 /nfs/dbraw/zinc/82/99/19/992829919.db2.gz LGPAMZLZZHSFIO-UHFFFAOYSA-N 0 1 334.397 3.765 20 5 EHBDMN Cc1ccc(C)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000016564836 1015932695 /nfs/dbraw/zinc/93/26/95/1015932695.db2.gz CLCFRWIHECSFMZ-UHFFFAOYSA-N 0 1 325.412 3.534 20 5 EHBDMN Cc1ccc([C@H](C)N[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000247115737 1016533292 /nfs/dbraw/zinc/53/32/92/1016533292.db2.gz RLQIJHSZSDBTOM-YHUYYLMFSA-N 0 1 347.459 3.732 20 5 EHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(Oc2ccccn2)CC1 ZINC000348513264 1016618719 /nfs/dbraw/zinc/61/87/19/1016618719.db2.gz WLIKJDDUDMKRIV-AWEZNQCLSA-N 0 1 327.384 3.594 20 5 EHBDMN Cc1cc(NC2CCN(Cc3ccc(F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000074741875 1032212848 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EHBDMN O=[N+]([O-])c1ccc(N2CCCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000813312797 1136317606 /nfs/dbraw/zinc/31/76/06/1136317606.db2.gz JTSLZCCZVBCNOW-UHFFFAOYSA-N 0 1 345.830 3.961 20 5 EHBDMN COc1c(C)cc(CN(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1C ZINC000338954643 1136511384 /nfs/dbraw/zinc/51/13/84/1136511384.db2.gz QAZQIUHQVYQPET-UHFFFAOYSA-N 0 1 330.384 3.558 20 5 EHBDMN C[C@@H](OC(=O)[C@H]1CCCCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000815448826 1136596920 /nfs/dbraw/zinc/59/69/20/1136596920.db2.gz VGJNTCBBHHMVRF-RDTXWAMCSA-N 0 1 346.427 3.996 20 5 EHBDMN C[C@H](NCc1ccnc(N2CCCCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173329462 1136765600 /nfs/dbraw/zinc/76/56/00/1136765600.db2.gz SOGIRAZPOVOVRY-HNNXBMFYSA-N 0 1 340.427 3.831 20 5 EHBDMN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(C)cc2[nH]1 ZINC000817017577 1136770602 /nfs/dbraw/zinc/77/06/02/1136770602.db2.gz SWYFZTPQWQURPV-ZRDIBKRKSA-N 0 1 336.351 3.822 20 5 EHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000820597094 1136999490 /nfs/dbraw/zinc/99/94/90/1136999490.db2.gz RNHKEWSMXNUMST-UHFFFAOYSA-N 0 1 345.374 3.665 20 5 EHBDMN C[C@@H](CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000860093525 1137043911 /nfs/dbraw/zinc/04/39/11/1137043911.db2.gz CSSSCTKJTPVJBS-STQMWFEESA-N 0 1 337.420 3.501 20 5 EHBDMN O=[N+]([O-])c1ccc([C@H](O)CNC2(c3c(F)cccc3F)CCC2)cc1 ZINC000860203962 1137049393 /nfs/dbraw/zinc/04/93/93/1137049393.db2.gz VEWXKZHXOVMCHK-MRXNPFEDSA-N 0 1 348.349 3.575 20 5 EHBDMN COC[C@@H](N[C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C)o1 ZINC000866278181 1137342151 /nfs/dbraw/zinc/34/21/51/1137342151.db2.gz WHSNQPQCIHHSCV-XHDPSFHLSA-N 0 1 336.363 3.544 20 5 EHBDMN COCCc1nc(C)c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000866539816 1137363085 /nfs/dbraw/zinc/36/30/85/1137363085.db2.gz HNFHHZUVJBGYNQ-LBPRGKRZSA-N 0 1 349.456 3.708 20 5 EHBDMN Cn1cc([C@H]2CN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000846932793 1137376128 /nfs/dbraw/zinc/37/61/28/1137376128.db2.gz UJDXWKRGWBLTDS-OAHLLOKOSA-N 0 1 348.834 3.607 20 5 EHBDMN C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC001171436729 1137483245 /nfs/dbraw/zinc/48/32/45/1137483245.db2.gz XJCLRUNKBJJLEO-GOSISDBHSA-N 0 1 346.814 3.514 20 5 EHBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC001171436729 1137483247 /nfs/dbraw/zinc/48/32/47/1137483247.db2.gz XJCLRUNKBJJLEO-GOSISDBHSA-N 0 1 346.814 3.514 20 5 EHBDMN Cc1nc2ccccc2n1CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018915 1137564861 /nfs/dbraw/zinc/56/48/61/1137564861.db2.gz QZQORWBWZQEGAL-LBPRGKRZSA-N 0 1 342.374 3.743 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cn(C)nc1C ZINC000872030721 1137566340 /nfs/dbraw/zinc/56/63/40/1137566340.db2.gz BBSPXCQHEHIJOQ-QWRGUYRKSA-N 0 1 334.445 3.770 20 5 EHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCCn2nccc21 ZINC000872095224 1137571012 /nfs/dbraw/zinc/57/10/12/1137571012.db2.gz RTMHTBLUAJQTRQ-RISCZKNCSA-N 0 1 332.429 3.699 20 5 EHBDMN CC(C)c1cc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)[nH]n1 ZINC000872646995 1137582304 /nfs/dbraw/zinc/58/23/04/1137582304.db2.gz BIUVZEWQDCQXPP-NSHDSACASA-N 0 1 349.822 3.874 20 5 EHBDMN C/C=C/C[C@H]1CCCN(Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000879066648 1137736878 /nfs/dbraw/zinc/73/68/78/1137736878.db2.gz QMBGXUOBVWUHQV-HSWBROFVSA-N 0 1 342.399 3.823 20 5 EHBDMN O=[N+]([O-])c1ccc(N2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)nc1 ZINC000882830608 1137835440 /nfs/dbraw/zinc/83/54/40/1137835440.db2.gz OMQIVJDDVNOUFK-OAHLLOKOSA-N 0 1 349.394 3.764 20 5 EHBDMN CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2c2cccc(F)c2)c1[N+](=O)[O-] ZINC000331644703 1137915810 /nfs/dbraw/zinc/91/58/10/1137915810.db2.gz RBANCMSMVJSIPO-CYBMUJFWSA-N 0 1 346.362 3.558 20 5 EHBDMN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(OC)c1 ZINC000118959643 1137936738 /nfs/dbraw/zinc/93/67/38/1137936738.db2.gz XCDFUQPWPNFXSI-CYBMUJFWSA-N 0 1 330.384 3.771 20 5 EHBDMN COc1ccc([C@H](CCO)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000120324495 1137948604 /nfs/dbraw/zinc/94/86/04/1137948604.db2.gz FDNGOAAVGDLNBH-KSSFIOAISA-N 0 1 344.411 3.686 20 5 EHBDMN C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000120958231 1137953954 /nfs/dbraw/zinc/95/39/54/1137953954.db2.gz CQKHGNGACFPSAH-ZDUSSCGKSA-N 0 1 331.391 3.646 20 5 EHBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000886048967 1138035076 /nfs/dbraw/zinc/03/50/76/1138035076.db2.gz BZUWHZFLPAMGBJ-CQSZACIVSA-N 0 1 338.367 3.511 20 5 EHBDMN CCOc1cc(CN[C@H]2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000886923063 1138172741 /nfs/dbraw/zinc/17/27/41/1138172741.db2.gz KKYYHNVDMHYLTG-INIZCTEOSA-N 0 1 330.359 3.910 20 5 EHBDMN CCN(CC)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000126874286 1138340823 /nfs/dbraw/zinc/34/08/23/1138340823.db2.gz OQOYRVIULZPIRN-AWEZNQCLSA-N 0 1 328.416 3.687 20 5 EHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc([C@H]2CCCO2)s1 ZINC000283026490 1138879751 /nfs/dbraw/zinc/87/97/51/1138879751.db2.gz MPWDMRZLMLBJGG-MRXNPFEDSA-N 0 1 347.440 3.577 20 5 EHBDMN CC[C@H](NCC(=O)N[C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000181551192 1139914622 /nfs/dbraw/zinc/91/46/22/1139914622.db2.gz NHDBNDFEALAWAJ-KDOFPFPSSA-N 0 1 341.411 3.513 20 5 EHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(c2nccs2)CC1 ZINC000182693056 1139986856 /nfs/dbraw/zinc/98/68/56/1139986856.db2.gz DLINWJOSWTVKKN-CQSZACIVSA-N 0 1 346.456 3.633 20 5 EHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H](C)c1nccs1 ZINC000184004013 1140073400 /nfs/dbraw/zinc/07/34/00/1140073400.db2.gz DHEDWPUIICLGAF-GFCCVEGCSA-N 0 1 335.429 3.686 20 5 EHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(O)(c2ccccc2)CC1 ZINC000185640113 1140159866 /nfs/dbraw/zinc/15/98/66/1140159866.db2.gz AGOYOLKEXBUURD-SOFGYWHQSA-N 0 1 338.407 3.592 20 5 EHBDMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2N(C)C)cc1[N+](=O)[O-] ZINC000268827337 1141001569 /nfs/dbraw/zinc/00/15/69/1141001569.db2.gz NPCDBAMWLAIHFO-LBPRGKRZSA-N 0 1 347.390 3.659 20 5 EHBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nnc(C(C)(C)C)s1 ZINC000271430664 1141364920 /nfs/dbraw/zinc/36/49/20/1141364920.db2.gz BWZNGUUDZPRMJF-GFCCVEGCSA-N 0 1 348.472 3.855 20 5 EHBDMN COc1cccc([C@@H]2CCCN2Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000051180361 214081520 /nfs/dbraw/zinc/08/15/20/214081520.db2.gz MLBKTIFDQIYMPD-KRWDZBQOSA-N 0 1 342.395 3.949 20 5 EHBDMN O=C([O-])C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000840995689 955585043 /nfs/dbraw/zinc/58/50/43/955585043.db2.gz KFZAVPNQVCTUAV-VIFPVBQESA-N 0 1 347.198 3.588 20 5 EHBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000840995689 955585050 /nfs/dbraw/zinc/58/50/50/955585050.db2.gz KFZAVPNQVCTUAV-VIFPVBQESA-N 0 1 347.198 3.588 20 5 EHBDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593738811 974985726 /nfs/dbraw/zinc/98/57/26/974985726.db2.gz ZHRQKTAXFAVXIS-DYVFJYSZSA-N 0 1 340.379 3.671 20 5 EHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000339715016 1015589543 /nfs/dbraw/zinc/58/95/43/1015589543.db2.gz ICPOAHFXYNLXTH-KRWDZBQOSA-N 0 1 348.786 3.527 20 5 EHBDMN COc1c(O)ccc(CN[C@H]2CCc3c2cccc3Cl)c1[N+](=O)[O-] ZINC000892679956 1016571895 /nfs/dbraw/zinc/57/18/95/1016571895.db2.gz KJZMXMMZEGVENQ-AWEZNQCLSA-N 0 1 348.786 3.740 20 5 EHBDMN CC(C)c1ccc(CN2CCC(c3ccncn3)CC2)cc1[N+](=O)[O-] ZINC000414473783 1016767909 /nfs/dbraw/zinc/76/79/09/1016767909.db2.gz WHRKECJWNKNMIU-UHFFFAOYSA-N 0 1 340.427 3.888 20 5 EHBDMN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000568727770 1032203099 /nfs/dbraw/zinc/20/30/99/1032203099.db2.gz ONFPATXUKMRHNL-ZDUSSCGKSA-N 0 1 344.367 3.542 20 5 EHBDMN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000414626514 1017077741 /nfs/dbraw/zinc/07/77/41/1017077741.db2.gz YDWDRRHQFYDRDI-DZGCQCFKSA-N 0 1 332.404 3.760 20 5 EHBDMN CC(C)[C@@H](N[C@H](C)Cc1ccccc1[N+](=O)[O-])c1nc(C2CC2)no1 ZINC000449223160 1032339339 /nfs/dbraw/zinc/33/93/39/1032339339.db2.gz JJFCNZVLJXUWHV-MLGOLLRUSA-N 0 1 344.415 3.773 20 5 EHBDMN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] ZINC000537173940 1032547984 /nfs/dbraw/zinc/54/79/84/1032547984.db2.gz POFZTQJOPBDIPY-CABCVRRESA-N 0 1 347.459 3.639 20 5 EHBDMN Cc1ccc([C@H](C)NCC(=O)N(CC(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000537175595 1032548751 /nfs/dbraw/zinc/54/87/51/1032548751.db2.gz RKNUOAYACXKCLH-INIZCTEOSA-N 0 1 349.475 3.694 20 5 EHBDMN O=[N+]([O-])c1cccc(-c2noc(CN3C4CCCC3CCC4)n2)c1 ZINC000610370031 1018543667 /nfs/dbraw/zinc/54/36/67/1018543667.db2.gz QIIRVXOEDHSTST-UHFFFAOYSA-N 0 1 328.372 3.552 20 5 EHBDMN Cc1cc(N[C@H]2CCO[C@H](C(C)(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000541191201 1018635448 /nfs/dbraw/zinc/63/54/48/1018635448.db2.gz SGXFLCQYBDUSOX-UGSOOPFHSA-N 0 1 343.427 3.879 20 5 EHBDMN O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000580474971 1019442647 /nfs/dbraw/zinc/44/26/47/1019442647.db2.gz WAJHQQIOKHRKLY-UMSPYCQHSA-N 0 1 346.770 3.630 20 5 EHBDMN Cc1ccccc1CN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC1 ZINC000433669073 1019498853 /nfs/dbraw/zinc/49/88/53/1019498853.db2.gz GQYPPTJTRDXZFT-UHFFFAOYSA-N 0 1 342.399 3.555 20 5 EHBDMN CC[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000182585015 1019712995 /nfs/dbraw/zinc/71/29/95/1019712995.db2.gz OWXKCQDNMMPWJA-OAHLLOKOSA-N 0 1 347.802 3.588 20 5 EHBDMN Cc1nn(C)cc1[C@@H](C)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000279622705 1020783188 /nfs/dbraw/zinc/78/31/88/1020783188.db2.gz YIWKJCZSVSOENQ-SECBINFHSA-N 0 1 342.321 3.506 20 5 EHBDMN O=C(CCN(Cc1ccccc1[N+](=O)[O-])C1CC1)Nc1ccccc1 ZINC000135226289 1020919265 /nfs/dbraw/zinc/91/92/65/1020919265.db2.gz HYJZXUOCVSRGLG-UHFFFAOYSA-N 0 1 339.395 3.588 20 5 EHBDMN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000276328784 1021042541 /nfs/dbraw/zinc/04/25/41/1021042541.db2.gz QPYFGOPTQCDYTN-LLVKDONJSA-N 0 1 333.319 3.801 20 5 EHBDMN Cc1cc(NC[C@H]2CCCC[N@@H+]2CC(C)C)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000518985067 1021743109 /nfs/dbraw/zinc/74/31/09/1021743109.db2.gz MSVDPFYOVMAGTH-CQSZACIVSA-N 0 1 349.431 3.524 20 5 EHBDMN CCC1(C)CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000507197370 1023175643 /nfs/dbraw/zinc/17/56/43/1023175643.db2.gz PXBIHRMQGGRVDL-CQSZACIVSA-N 0 1 333.432 3.742 20 5 EHBDMN Cc1cccc(Nc2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C)c1 ZINC000925106197 1024104233 /nfs/dbraw/zinc/10/42/33/1024104233.db2.gz GKAXQWOECXODBJ-RHSMWYFYSA-N 0 1 325.368 3.651 20 5 EHBDMN Cn1cnc([N+](=O)[O-])c1CNC1(c2cccc(Cl)c2)CCCC1 ZINC000342265735 1024625454 /nfs/dbraw/zinc/62/54/54/1024625454.db2.gz OGSCRWADCIXAFC-UHFFFAOYSA-N 0 1 334.807 3.541 20 5 EHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000053232645 1025193046 /nfs/dbraw/zinc/19/30/46/1025193046.db2.gz KYNJOTKUFOIWAG-IBGZPJMESA-N 0 1 326.396 3.776 20 5 EHBDMN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)c1 ZINC000451098105 1025558261 /nfs/dbraw/zinc/55/82/61/1025558261.db2.gz VHMVSTNDZUOVLI-UHFFFAOYSA-N 0 1 349.412 3.524 20 5 EHBDMN 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