smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC001458129012 937451840 /nfs/dbraw/zinc/45/18/40/937451840.db2.gz VBBBHCWXIFNTQS-WDEREUQCSA-N 0 1 283.397 3.189 20 5 CGBDMN Cc1cn[nH]c1CSc1ccc([N+](=O)[O-])cc1F ZINC001459035209 937478669 /nfs/dbraw/zinc/47/86/69/937478669.db2.gz WKLGBGFXZXXXBJ-UHFFFAOYSA-N 0 1 267.285 3.058 20 5 CGBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1OC1CCCCC1 ZINC001230596858 932597365 /nfs/dbraw/zinc/59/73/65/932597365.db2.gz VPFOYUFEDMVUNB-UHFFFAOYSA-N 0 1 261.281 3.183 20 5 CGBDMN CC(C)c1ncc(CNc2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC001307219889 932930406 /nfs/dbraw/zinc/93/04/06/932930406.db2.gz YGMQYKQQJVDFOJ-UHFFFAOYSA-N 0 1 278.287 3.193 20 5 CGBDMN C[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307440910 932953495 /nfs/dbraw/zinc/95/34/95/932953495.db2.gz VOTVFKQBQNIABW-LLVKDONJSA-N 0 1 266.316 3.356 20 5 CGBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001559711827 938233260 /nfs/dbraw/zinc/23/32/60/938233260.db2.gz UOYYKHKMOCMQDP-CYBMUJFWSA-N 0 1 286.331 3.406 20 5 CGBDMN CCc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427921328 529600286 /nfs/dbraw/zinc/60/02/86/529600286.db2.gz HECDACKPARQPNJ-UHFFFAOYSA-N 0 1 286.287 3.115 20 5 CGBDMN CC(C)c1ccc(CN(C)Cc2cnc[nH]2)cc1[N+](=O)[O-] ZINC000597171150 347543566 /nfs/dbraw/zinc/54/35/66/347543566.db2.gz CLVOXHSJLMSUMG-UHFFFAOYSA-N 0 1 288.351 3.073 20 5 CGBDMN C[C@H]1CC(F)(F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000599624202 347759114 /nfs/dbraw/zinc/75/91/14/347759114.db2.gz UADIMCQBKDMIDP-JTQLQIEISA-N 0 1 270.279 3.214 20 5 CGBDMN Cc1c(CN[C@H]2CCCc3ncccc32)cccc1[N+](=O)[O-] ZINC000601277407 347888119 /nfs/dbraw/zinc/88/81/19/347888119.db2.gz DGQHOESFQHRLQX-INIZCTEOSA-N 0 1 297.358 3.465 20 5 CGBDMN O=C1[C@@H]2CCCCCCC2=NN1c1ccc([N+](=O)[O-])cc1 ZINC000601935191 347925569 /nfs/dbraw/zinc/92/55/69/347925569.db2.gz QRKWVNPYYFKDBX-CYBMUJFWSA-N 0 1 287.319 3.268 20 5 CGBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCCCCC2 ZINC000601935191 347925572 /nfs/dbraw/zinc/92/55/72/347925572.db2.gz QRKWVNPYYFKDBX-CYBMUJFWSA-N 0 1 287.319 3.268 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccco3)C2)cs1 ZINC000609539825 348346497 /nfs/dbraw/zinc/34/64/97/348346497.db2.gz DVLORMWBGBMDPS-NSHDSACASA-N 0 1 278.333 3.239 20 5 CGBDMN CC(C)(CC(F)(F)F)NCc1csc([N+](=O)[O-])c1 ZINC000614822454 348695521 /nfs/dbraw/zinc/69/55/21/348695521.db2.gz NKPWVXOMTSAXFS-UHFFFAOYSA-N 0 1 282.287 3.477 20 5 CGBDMN O=[N+]([O-])c1ccsc1NC[C@H]1CCCCN1C1CC1 ZINC000617976692 349032065 /nfs/dbraw/zinc/03/20/65/349032065.db2.gz ZUWYOYJWICILJR-LLVKDONJSA-N 0 1 281.381 3.085 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCCCF)CC2 ZINC000341895764 216141229 /nfs/dbraw/zinc/14/12/29/216141229.db2.gz WUHMILSNXBIPIQ-UHFFFAOYSA-N 0 1 266.316 3.093 20 5 CGBDMN COc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087230 368799414 /nfs/dbraw/zinc/79/94/14/368799414.db2.gz FBDDJSCKEFGVNL-GFCCVEGCSA-N 0 1 286.331 3.454 20 5 CGBDMN C[C@H](C1CC1)N(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174635 369497459 /nfs/dbraw/zinc/49/74/59/369497459.db2.gz LYXJRIHBFYOABH-SECBINFHSA-N 0 1 266.366 3.419 20 5 CGBDMN O=[N+]([O-])c1ccc(CCN2Cc3ccccc3C2)cc1 ZINC000114562985 370506128 /nfs/dbraw/zinc/50/61/28/370506128.db2.gz NIXQWYLPUWJICQ-UHFFFAOYSA-N 0 1 268.316 3.153 20 5 CGBDMN CSC[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000135476334 371430913 /nfs/dbraw/zinc/43/09/13/371430913.db2.gz RDRNUWCSFYLIJR-JTQLQIEISA-N 0 1 284.356 3.061 20 5 CGBDMN Cc1ccc(CN2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294149709 372594507 /nfs/dbraw/zinc/59/45/07/372594507.db2.gz VGZDEIQEMLGJEY-INIZCTEOSA-N 0 1 292.379 3.150 20 5 CGBDMN CC1(C)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434664587 372698545 /nfs/dbraw/zinc/69/85/45/372698545.db2.gz VOBSCOVFTPQUOW-UHFFFAOYSA-N 0 1 280.393 3.312 20 5 CGBDMN CCN(CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444682952 373234547 /nfs/dbraw/zinc/23/45/47/373234547.db2.gz CEWDKVSINVVQBG-UHFFFAOYSA-N 0 1 288.351 3.093 20 5 CGBDMN Cc1cnc(Nc2cc3cn[nH]c3cc2C)c([N+](=O)[O-])c1 ZINC000302645151 373912879 /nfs/dbraw/zinc/91/28/79/373912879.db2.gz AIGBPIHCDMHXNN-UHFFFAOYSA-N 0 1 283.291 3.227 20 5 CGBDMN C[C@@H]1CC[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229334 374562860 /nfs/dbraw/zinc/56/28/60/374562860.db2.gz LNFJQISQWIWFEP-MNOVXSKESA-N 0 1 288.351 3.092 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000335196535 375219133 /nfs/dbraw/zinc/21/91/33/375219133.db2.gz SBWVZNMEMUURPQ-QWRGUYRKSA-N 0 1 252.339 3.031 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000507098873 375673242 /nfs/dbraw/zinc/67/32/42/375673242.db2.gz VSZVRFWGXPHQAA-AWEZNQCLSA-N 0 1 298.342 3.290 20 5 CGBDMN Cc1nccc(NCc2cccc([N+](=O)[O-])c2C)c1Cl ZINC000336841276 376002821 /nfs/dbraw/zinc/00/28/21/376002821.db2.gz RGCAUMPNONBKGD-UHFFFAOYSA-N 0 1 291.738 3.294 20 5 CGBDMN O=[N+]([O-])c1cccc(CCN=c2[nH]c3ccccc3s2)c1 ZINC000535354936 376034264 /nfs/dbraw/zinc/03/42/64/376034264.db2.gz QLHGDJYMVMNHLP-UHFFFAOYSA-N 0 1 299.355 3.281 20 5 CGBDMN C[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000339051069 376647318 /nfs/dbraw/zinc/64/73/18/376647318.db2.gz SVBQCWPWWKWKMU-RYUDHWBXSA-N 0 1 278.352 3.168 20 5 CGBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC000339175310 376727227 /nfs/dbraw/zinc/72/72/27/376727227.db2.gz WREDHYFDWRJWRL-UHFFFAOYSA-N 0 1 264.325 3.065 20 5 CGBDMN O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339674025 376802089 /nfs/dbraw/zinc/80/20/89/376802089.db2.gz JKYZUCPUDQVLMZ-AWEZNQCLSA-N 0 1 260.337 3.217 20 5 CGBDMN Cc1c(CN2CCS[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246382777 377019639 /nfs/dbraw/zinc/01/96/39/377019639.db2.gz NGYMPTFGGIGQHA-NEPJUHHUSA-N 0 1 280.393 3.229 20 5 CGBDMN Cc1c([C@@H](C)N[C@H]2CCC[C@H]2F)cccc1[N+](=O)[O-] ZINC000559913198 377108754 /nfs/dbraw/zinc/10/87/54/377108754.db2.gz GSSQEZBOKRUNSI-RTXFEEFZSA-N 0 1 266.316 3.444 20 5 CGBDMN CN(CC[C@H]1CCCO1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342603068 377684627 /nfs/dbraw/zinc/68/46/27/377684627.db2.gz XINSFFVUSBDYAP-CYBMUJFWSA-N 0 1 298.770 3.249 20 5 CGBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269291425 378204119 /nfs/dbraw/zinc/20/41/19/378204119.db2.gz PWCDUWDRZKPXON-UHFFFAOYSA-N 0 1 292.335 3.095 20 5 CGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccccn1 ZINC000348291881 378889662 /nfs/dbraw/zinc/88/96/62/378889662.db2.gz JXUUMSIHSBXGLE-ZDUSSCGKSA-N 0 1 285.347 3.225 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000408072029 379991484 /nfs/dbraw/zinc/99/14/84/379991484.db2.gz QHAOBGYNYOFAKL-BXUZGUMPSA-N 0 1 276.336 3.065 20 5 CGBDMN CC(C)c1ccc(C[N@@H+](C)CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000414640122 380350665 /nfs/dbraw/zinc/35/06/65/380350665.db2.gz RGIWDYPMVHOQOC-UHFFFAOYSA-N 0 1 294.351 3.015 20 5 CGBDMN Cc1cccc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353744459 220297432 /nfs/dbraw/zinc/29/74/32/220297432.db2.gz FPSLJHVPXYQYTN-RMKNXTFCSA-N 0 1 297.358 3.443 20 5 CGBDMN CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281304296 195189535 /nfs/dbraw/zinc/18/95/35/195189535.db2.gz PXOLJRBSFGTZJY-PXTSUWAFSA-N 0 1 290.363 3.109 20 5 CGBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCOCC1 ZINC000107064469 392315092 /nfs/dbraw/zinc/31/50/92/392315092.db2.gz LYLWSFGSSAYHTF-UHFFFAOYSA-N 0 1 298.770 3.107 20 5 CGBDMN C[C@@H](c1cccc(O)c1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000109783349 392374977 /nfs/dbraw/zinc/37/49/77/392374977.db2.gz LPVPGDHUXJVXCF-LBPRGKRZSA-N 0 1 286.331 3.493 20 5 CGBDMN CCCC[C@@H](CCC)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506699560 392732032 /nfs/dbraw/zinc/73/20/32/392732032.db2.gz TYNRDTQOAYEUIM-GFCCVEGCSA-N 0 1 294.351 3.389 20 5 CGBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1F ZINC000356520761 393471709 /nfs/dbraw/zinc/47/17/09/393471709.db2.gz YPFODENCWOLQDH-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN CCc1cnccc1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000361132200 393680126 /nfs/dbraw/zinc/68/01/26/393680126.db2.gz OFAFGGTVVNCPOE-GFCCVEGCSA-N 0 1 285.347 3.403 20 5 CGBDMN Cc1ccoc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000491512046 393694110 /nfs/dbraw/zinc/69/41/10/393694110.db2.gz LIYBERQXMQOLBN-GQCTYLIASA-N 0 1 272.304 3.299 20 5 CGBDMN C[C@H]1CN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493211114 393769397 /nfs/dbraw/zinc/76/93/97/393769397.db2.gz NZGOTOPGMYMSEV-UWVGGRQHSA-N 0 1 268.744 3.336 20 5 CGBDMN Cc1c(CNCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000035648854 172325462 /nfs/dbraw/zinc/32/54/62/172325462.db2.gz CBWLOAMSOAOLBC-UHFFFAOYSA-N 0 1 274.295 3.332 20 5 CGBDMN CCSCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130589231 287358608 /nfs/dbraw/zinc/35/86/08/287358608.db2.gz NUZHQHLNNVZTHO-UHFFFAOYSA-N 0 1 280.393 3.312 20 5 CGBDMN Cc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000391223626 262392356 /nfs/dbraw/zinc/39/23/56/262392356.db2.gz XUTFVOXLZLNHHH-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000103471257 270045878 /nfs/dbraw/zinc/04/58/78/270045878.db2.gz ICFYPVSTXXMCOF-UHFFFAOYSA-N 0 1 266.316 3.356 20 5 CGBDMN O=[N+]([O-])c1cc(CNCC2(F)CC2)cc(C(F)(F)F)c1 ZINC000525995681 270121950 /nfs/dbraw/zinc/12/19/50/270121950.db2.gz JIDUTAUBRULMEU-UHFFFAOYSA-N 0 1 292.232 3.205 20 5 CGBDMN Cc1ccc(CN[C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418100366 534082661 /nfs/dbraw/zinc/08/26/61/534082661.db2.gz PJEMDUIYXHERLR-MRXNPFEDSA-N 0 1 298.342 3.264 20 5 CGBDMN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087409009 527697132 /nfs/dbraw/zinc/69/71/32/527697132.db2.gz PWYRFMGVBATKNZ-WDEREUQCSA-N 0 1 288.351 3.049 20 5 CGBDMN CC[C@H]1CCC[C@@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000734722629 572677654 /nfs/dbraw/zinc/67/76/54/572677654.db2.gz MQWPDRWPUUZAPW-VHSXEESVSA-N 0 1 266.297 3.049 20 5 CGBDMN CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCOC1 ZINC000735492293 572726112 /nfs/dbraw/zinc/72/61/12/572726112.db2.gz HOSFGWGKZGPCEQ-NSHDSACASA-N 0 1 298.770 3.107 20 5 CGBDMN C[C@H]1c2ccccc2CN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072665 573078849 /nfs/dbraw/zinc/07/88/49/573078849.db2.gz PWBAGJLSGFHAFB-SJCJKPOMSA-N 0 1 298.342 3.205 20 5 CGBDMN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H]2c2ccccc2)c1 ZINC000750074373 573079210 /nfs/dbraw/zinc/07/92/10/573079210.db2.gz XKUYCUWSOZMDFX-IRXDYDNUSA-N 0 1 298.342 3.075 20 5 CGBDMN CC(C)(C)OCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000308509525 618242214 /nfs/dbraw/zinc/24/22/14/618242214.db2.gz ALEMPVZWKDUJGQ-UHFFFAOYSA-N 0 1 286.759 3.153 20 5 CGBDMN CC(C)(C)OCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308516342 618242456 /nfs/dbraw/zinc/24/24/56/618242456.db2.gz ZNTGFWGVXLEHKT-UHFFFAOYSA-N 0 1 286.759 3.153 20 5 CGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNC/C=C\Cl ZINC000898428814 620585124 /nfs/dbraw/zinc/58/51/24/620585124.db2.gz PRUXYSKFWKWMJN-UTCJRWHESA-N 0 1 254.717 3.054 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CSCc1[nH]ncc1C ZINC000902437388 621319077 /nfs/dbraw/zinc/31/90/77/621319077.db2.gz FFMPAWRCWFOZDG-UHFFFAOYSA-N 0 1 293.348 3.068 20 5 CGBDMN COc1ccc(CNCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000776252509 628184789 /nfs/dbraw/zinc/18/47/89/628184789.db2.gz CHATWQMJJIFCQR-UHFFFAOYSA-N 0 1 286.331 3.202 20 5 CGBDMN C[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000792867207 629389016 /nfs/dbraw/zinc/38/90/16/629389016.db2.gz MKVLDXRHAHRRPW-QWRGUYRKSA-N 0 1 293.323 3.123 20 5 CGBDMN O=[N+]([O-])c1cc(CNC2([C@H]3CCCCO3)CCC2)cs1 ZINC000865857200 632922413 /nfs/dbraw/zinc/92/24/13/632922413.db2.gz NYHPAKSOCDNZRR-GFCCVEGCSA-N 0 1 296.392 3.238 20 5 CGBDMN C[C@@H](NC[C@@H]1CCC=CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064110 633985941 /nfs/dbraw/zinc/98/59/41/633985941.db2.gz CAXCJIPFIMXCST-MNOVXSKESA-N 0 1 280.299 3.077 20 5 CGBDMN CC[C@H](C)C[C@@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080641 634004257 /nfs/dbraw/zinc/00/42/57/634004257.db2.gz BFPQUTKVHUEIFE-SRVKXCTJSA-N 0 1 298.358 3.182 20 5 CGBDMN CC(C)CC[C@H](CO)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088572 634014364 /nfs/dbraw/zinc/01/43/64/634014364.db2.gz SHBNXJULBPZNPS-NWDGAFQWSA-N 0 1 298.358 3.182 20 5 CGBDMN C[C@H]1CCC(C)(C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832565269 634073148 /nfs/dbraw/zinc/07/31/48/634073148.db2.gz QRJNKSMBQQMVAF-JTQLQIEISA-N 0 1 293.323 3.266 20 5 CGBDMN Cc1ncc([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)s1 ZINC000879252233 635736832 /nfs/dbraw/zinc/73/68/32/635736832.db2.gz JMTBUWIEPFACEA-QMMMGPOBSA-N 0 1 295.339 3.350 20 5 CGBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000114504650 641000228 /nfs/dbraw/zinc/00/02/28/641000228.db2.gz SOFAFKSHZIVUST-UHFFFAOYSA-N 0 1 260.293 3.094 20 5 CGBDMN Cc1ccc2nc(Cc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250594797 805714171 /nfs/dbraw/zinc/71/41/71/805714171.db2.gz VJKPNGZXMHFJLO-UHFFFAOYSA-N 0 1 267.288 3.370 20 5 CGBDMN CC(=O)Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC001250661513 805750943 /nfs/dbraw/zinc/75/09/43/805750943.db2.gz BHYBXVHHAXSBDK-UHFFFAOYSA-N 0 1 296.286 3.097 20 5 CGBDMN Cc1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1C ZINC001250669176 805752350 /nfs/dbraw/zinc/75/23/50/805752350.db2.gz IHRBTHPDQWBCJJ-UHFFFAOYSA-N 0 1 257.249 3.348 20 5 CGBDMN COc1cc2[nH]c(-c3ccccc3[N+](=O)[O-])nc2cc1C ZINC001250745531 805770553 /nfs/dbraw/zinc/77/05/53/805770553.db2.gz QPRHRQCSCLEXES-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN COc1ccc2nc(-c3cccc([N+](=O)[O-])c3F)[nH]c2c1 ZINC001250854420 805788261 /nfs/dbraw/zinc/78/82/61/805788261.db2.gz UHFXYBZKHNSGCQ-UHFFFAOYSA-N 0 1 287.250 3.286 20 5 CGBDMN Cc1cc2nc(-c3ccc([N+](=O)[O-])cn3)[nH]c2c(C)c1 ZINC001251127611 805851135 /nfs/dbraw/zinc/85/11/35/805851135.db2.gz UKGWFYOLSQJGDV-UHFFFAOYSA-N 0 1 268.276 3.150 20 5 CGBDMN Cc1cccc2nc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]c21 ZINC001251272006 805874750 /nfs/dbraw/zinc/87/47/50/805874750.db2.gz PZXKSNWLUDBOOU-UHFFFAOYSA-N 0 1 298.258 3.355 20 5 CGBDMN CCc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n[nH]1 ZINC000765993993 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C[C@@H]1CCCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230596984 932596963 /nfs/dbraw/zinc/59/69/63/932596963.db2.gz ZDBPZDVOFZUWIB-RNCFNFMXSA-N 0 1 275.308 3.429 20 5 CGBDMN C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1ccccn1 ZINC001230602005 932597319 /nfs/dbraw/zinc/59/73/19/932597319.db2.gz TVDNBGBSIYPAEA-SECBINFHSA-N 0 1 284.275 3.006 20 5 CGBDMN CC[C@@H](C)[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600198 957847337 /nfs/dbraw/zinc/84/73/37/957847337.db2.gz CZGHKPHSWHFGCK-RKDXNWHRSA-N 0 1 263.297 3.285 20 5 CGBDMN CC[C@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594961128 982713845 /nfs/dbraw/zinc/71/38/45/982713845.db2.gz VOAGDJPQMXTLRI-NSHDSACASA-N 0 1 294.351 3.161 20 5 CGBDMN CC[C@@H](F)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440604492 529553796 /nfs/dbraw/zinc/55/37/96/529553796.db2.gz SXRNZUJUPOJJJD-CMPLNLGQSA-N 0 1 254.305 3.302 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)CCSC ZINC000126452044 187241235 /nfs/dbraw/zinc/24/12/35/187241235.db2.gz ZXOGJYBQLIXDRT-LLVKDONJSA-N 0 1 298.408 3.177 20 5 CGBDMN COc1ccc(CN(C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000051383023 345088987 /nfs/dbraw/zinc/08/89/87/345088987.db2.gz STUNIBHESWTXQA-UHFFFAOYSA-N 0 1 292.360 3.297 20 5 CGBDMN O=[N+]([O-])c1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000077378624 345570784 /nfs/dbraw/zinc/57/07/84/345570784.db2.gz YFWYYJCFHXAPGH-UHFFFAOYSA-N 0 1 268.316 3.374 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1CN(CC1CC1)CC1CC1 ZINC000115563951 345972206 /nfs/dbraw/zinc/97/22/06/345972206.db2.gz MLVVZUJOLZKCCO-UHFFFAOYSA-N 0 1 278.327 3.356 20 5 CGBDMN Cc1nc2c(n1Cc1cccc([N+](=O)[O-])c1C)CCCC2 ZINC000130549298 346058385 /nfs/dbraw/zinc/05/83/85/346058385.db2.gz PGNVQPDJSWFLHQ-UHFFFAOYSA-N 0 1 285.347 3.335 20 5 CGBDMN Cc1cc(OCCOc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000128177082 346038242 /nfs/dbraw/zinc/03/82/42/346038242.db2.gz LCIJPLQEHNRIRR-UHFFFAOYSA-N 0 1 288.303 3.064 20 5 CGBDMN CC[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593733196 347109379 /nfs/dbraw/zinc/10/93/79/347109379.db2.gz WPRLSRZYQFESPU-ZDUSSCGKSA-N 0 1 292.335 3.058 20 5 CGBDMN CCc1nc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000594896529 347223861 /nfs/dbraw/zinc/22/38/61/347223861.db2.gz YZOZFZAOUMWBNY-SSDOTTSWSA-N 0 1 296.327 3.268 20 5 CGBDMN CC(C)CCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293249 347287537 /nfs/dbraw/zinc/28/75/37/347287537.db2.gz ILTWEOVLLFXDQX-UHFFFAOYSA-N 0 1 254.305 3.212 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CC1=CCSC1 ZINC000597243866 347562275 /nfs/dbraw/zinc/56/22/75/347562275.db2.gz IJQMAIKTLWIARO-UHFFFAOYSA-N 0 1 278.377 3.008 20 5 CGBDMN Cc1ccc(CN(C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597243198 347562556 /nfs/dbraw/zinc/56/25/56/347562556.db2.gz HGHVWCOXKILSMU-UHFFFAOYSA-N 0 1 278.377 3.008 20 5 CGBDMN O=C1[C@H]2CCCCC2=NN1c1ccc([N+](=O)[O-])cc1Cl ZINC000601940167 347927231 /nfs/dbraw/zinc/92/72/31/347927231.db2.gz PIJXSINUGPFOOL-VIFPVBQESA-N 0 1 293.710 3.141 20 5 CGBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000601940167 347927233 /nfs/dbraw/zinc/92/72/33/347927233.db2.gz PIJXSINUGPFOOL-VIFPVBQESA-N 0 1 293.710 3.141 20 5 CGBDMN CCc1c(=O)n(-c2ccc([N+](=O)[O-])cc2C)[nH]c1C(C)C ZINC000601944679 347927674 /nfs/dbraw/zinc/92/76/74/347927674.db2.gz YNXULQBHBDHYEU-GFCCVEGCSA-N 0 1 289.335 3.288 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CC(c2ccccc2)C1 ZINC000602727556 348019129 /nfs/dbraw/zinc/01/91/29/348019129.db2.gz CTPOKBJBXDULLB-UHFFFAOYSA-N 0 1 268.316 3.194 20 5 CGBDMN Cc1cccc2nc(CNc3ccsc3[N+](=O)[O-])[nH]c21 ZINC000611221764 348428404 /nfs/dbraw/zinc/42/84/04/348428404.db2.gz SGNKONUYCUPOLZ-UHFFFAOYSA-N 0 1 288.332 3.453 20 5 CGBDMN Cc1occc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000612579553 348529508 /nfs/dbraw/zinc/52/95/08/348529508.db2.gz LFAJWWRXPVXSJL-UHFFFAOYSA-N 0 1 260.293 3.094 20 5 CGBDMN Cc1ccncc1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000271413344 191124600 /nfs/dbraw/zinc/12/46/00/191124600.db2.gz AKIHAMXJDJFEEK-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1cc(N[C@H](C)c2n[nH]c(C(C)C)n2)ccc1[N+](=O)[O-] ZINC000271430879 191133082 /nfs/dbraw/zinc/13/30/82/191133082.db2.gz WIQWQYULEIUSKL-SNVBAGLBSA-N 0 1 289.339 3.318 20 5 CGBDMN Cc1ccc(F)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000129034915 138395655 /nfs/dbraw/zinc/39/56/55/138395655.db2.gz XHPORWSZSFEVLF-UHFFFAOYSA-N 0 1 274.295 3.332 20 5 CGBDMN Cc1cccc2nc(CNc3ccccc3[N+](=O)[O-])[nH]c21 ZINC000301860412 201235554 /nfs/dbraw/zinc/23/55/54/201235554.db2.gz DMZRTGUKHNRDQP-UHFFFAOYSA-N 0 1 282.303 3.392 20 5 CGBDMN Cc1c(CN2CCSC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451643814 240340379 /nfs/dbraw/zinc/34/03/79/240340379.db2.gz AAGRUJQZRPNBMG-HNNXBMFYSA-N 0 1 292.404 3.231 20 5 CGBDMN Cn1cccc1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000015030074 368689279 /nfs/dbraw/zinc/68/92/79/368689279.db2.gz YTQPRVYHQILJJO-MRXNPFEDSA-N 0 1 285.347 3.270 20 5 CGBDMN COc1ccc(C)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000037500179 369085987 /nfs/dbraw/zinc/08/59/87/369085987.db2.gz BHNFZZZMQWLSLT-UHFFFAOYSA-N 0 1 286.331 3.202 20 5 CGBDMN CC(C)C(=O)CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289741812 371806916 /nfs/dbraw/zinc/80/69/16/371806916.db2.gz HBSJFZIJWIHGDV-UHFFFAOYSA-N 0 1 290.363 3.174 20 5 CGBDMN CC(C)C1(NCc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000292958960 372261426 /nfs/dbraw/zinc/26/14/26/372261426.db2.gz JJGSTSRCTKHBBD-UHFFFAOYSA-N 0 1 270.279 3.151 20 5 CGBDMN C[C@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171921434 372853845 /nfs/dbraw/zinc/85/38/45/372853845.db2.gz QUGKFFGSYAPGMI-GFCCVEGCSA-N 0 1 271.320 3.183 20 5 CGBDMN O=[N+]([O-])c1ccc(OC2CCN(C/C=C/Cl)CC2)cc1 ZINC000174245409 373273978 /nfs/dbraw/zinc/27/39/78/373273978.db2.gz RAIOEULPRZOLPX-UNXLUWIOSA-N 0 1 296.754 3.191 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CCC(C(F)F)CC1 ZINC000353673073 220243107 /nfs/dbraw/zinc/24/31/07/220243107.db2.gz OSCVUPURNPZHAX-UHFFFAOYSA-N 0 1 270.279 3.072 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCCCCC2)c(F)c1 ZINC000310969637 374229235 /nfs/dbraw/zinc/22/92/35/374229235.db2.gz RBKBREWINKESFB-UHFFFAOYSA-N 0 1 252.289 3.110 20 5 CGBDMN CC1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311424889 374240673 /nfs/dbraw/zinc/24/06/73/374240673.db2.gz LNKKSRVLKDYLTD-UHFFFAOYSA-N 0 1 266.316 3.356 20 5 CGBDMN Cc1ccncc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453337801 374429059 /nfs/dbraw/zinc/42/90/59/374429059.db2.gz ZYZQDHNGVVLFDJ-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CC[C@H](C)CN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184212904 374503572 /nfs/dbraw/zinc/50/35/72/374503572.db2.gz ZHGMSMZIZBYQLR-JTQLQIEISA-N 0 1 284.331 3.220 20 5 CGBDMN Cc1c(CN2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000464778023 374896869 /nfs/dbraw/zinc/89/68/69/374896869.db2.gz WSWAHAISBGXQOC-HNNXBMFYSA-N 0 1 294.420 3.477 20 5 CGBDMN Cc1ccc([C@H](C)N[C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000193014324 375815575 /nfs/dbraw/zinc/81/55/75/375815575.db2.gz XEJZGPCJJRLMGN-NWDGAFQWSA-N 0 1 288.351 3.049 20 5 CGBDMN CC(C)OC[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000337278628 376187429 /nfs/dbraw/zinc/18/74/29/376187429.db2.gz GEUDDHZXVIKPAF-JTQLQIEISA-N 0 1 286.759 3.151 20 5 CGBDMN Cc1ccc([C@H](C)N[C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000222461032 376235974 /nfs/dbraw/zinc/23/59/74/376235974.db2.gz LUXZWDHIBZREEN-WDEREUQCSA-N 0 1 274.324 3.038 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000541073101 376419238 /nfs/dbraw/zinc/41/92/38/376419238.db2.gz YQNIYONJFSPZQJ-ZJUUUORDSA-N 0 1 268.744 3.479 20 5 CGBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000226652698 376368322 /nfs/dbraw/zinc/36/83/22/376368322.db2.gz GZPPYJIVLRABIL-INIZCTEOSA-N 0 1 286.331 3.072 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542318547 376532998 /nfs/dbraw/zinc/53/29/98/376532998.db2.gz UQHNGMYAJRIEPS-CYBMUJFWSA-N 0 1 292.379 3.471 20 5 CGBDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000542317970 376534106 /nfs/dbraw/zinc/53/41/06/376534106.db2.gz KHQFKUGDSFRNKM-CYBMUJFWSA-N 0 1 262.353 3.463 20 5 CGBDMN CC(C)(C)[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339083298 376666406 /nfs/dbraw/zinc/66/64/06/376666406.db2.gz MIRWUVQENXJZJE-LBPRGKRZSA-N 0 1 278.352 3.168 20 5 CGBDMN CC1(C)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000341164643 377427075 /nfs/dbraw/zinc/42/70/75/377427075.db2.gz ACRQEVPBWWCNFC-UHFFFAOYSA-N 0 1 289.335 3.358 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCS[C@H](C)C1 ZINC000266541336 190265143 /nfs/dbraw/zinc/26/51/43/190265143.db2.gz QADJXCKFQGZGQP-GHMZBOCLSA-N 0 1 266.366 3.093 20 5 CGBDMN CCCC1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362152891 381889206 /nfs/dbraw/zinc/88/92/06/381889206.db2.gz DDJSRRMOSMOYGN-UHFFFAOYSA-N 0 1 294.399 3.119 20 5 CGBDMN CCCC1CCC(N(C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362152891 381889209 /nfs/dbraw/zinc/88/92/09/381889209.db2.gz DDJSRRMOSMOYGN-UHFFFAOYSA-N 0 1 294.399 3.119 20 5 CGBDMN COc1cc(CN2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000362326773 381943268 /nfs/dbraw/zinc/94/32/68/381943268.db2.gz VZKHZLSJPYKRPY-JTQLQIEISA-N 0 1 296.342 3.363 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(O)c1)CCC2 ZINC000192799790 285143994 /nfs/dbraw/zinc/14/39/94/285143994.db2.gz FOGBESQZBOSAFL-KRWDZBQOSA-N 0 1 298.342 3.468 20 5 CGBDMN CN(C)c1cccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000072582849 392209543 /nfs/dbraw/zinc/20/95/43/392209543.db2.gz NYJQXMFJNXYIBZ-UHFFFAOYSA-N 0 1 299.374 3.293 20 5 CGBDMN CCC[C@H](C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505790298 392697365 /nfs/dbraw/zinc/69/73/65/392697365.db2.gz MJZXAMQRHSKYDG-JTQLQIEISA-N 0 1 254.305 3.354 20 5 CGBDMN C[C@@H]1CC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026362 392818800 /nfs/dbraw/zinc/81/88/00/392818800.db2.gz CDHQHVUYGATGJT-MLGOLLRUSA-N 0 1 290.363 3.127 20 5 CGBDMN Cc1ccc2c(c1)CCN(Cc1cc(O)ccc1[N+](=O)[O-])C2 ZINC000339123581 392949728 /nfs/dbraw/zinc/94/97/28/392949728.db2.gz POERPQZVTIRATD-UHFFFAOYSA-N 0 1 298.342 3.167 20 5 CGBDMN C[C@H]1CC(C)(C)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000412043974 392995493 /nfs/dbraw/zinc/99/54/93/392995493.db2.gz OJEMFWWBXPSRML-JTQLQIEISA-N 0 1 266.316 3.354 20 5 CGBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020128032 171014468 /nfs/dbraw/zinc/01/44/68/171014468.db2.gz CPNSEGPCFNMGQA-RYUDHWBXSA-N 0 1 271.320 3.402 20 5 CGBDMN Cc1c(CNCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000035648742 172325594 /nfs/dbraw/zinc/32/55/94/172325594.db2.gz BLLQWDXEGYLZHY-UHFFFAOYSA-N 0 1 274.295 3.332 20 5 CGBDMN CCn1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499306 175184841 /nfs/dbraw/zinc/18/48/41/175184841.db2.gz WMFMNBACPWFIQW-NWDGAFQWSA-N 0 1 288.351 3.223 20 5 CGBDMN Cc1c(CN2CCC(OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000530686807 270202281 /nfs/dbraw/zinc/20/22/81/270202281.db2.gz ABEQHTPUBVQNFJ-UHFFFAOYSA-N 0 1 292.379 3.293 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccoc1)CCC2 ZINC000192717542 275038448 /nfs/dbraw/zinc/03/84/48/275038448.db2.gz JAZLSQBYSOCLBS-OAHLLOKOSA-N 0 1 272.304 3.355 20 5 CGBDMN CC(C)c1ccc(CN2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421379273 278036738 /nfs/dbraw/zinc/03/67/38/278036738.db2.gz UGKTYNQKZQBMDM-JSGCOSHPSA-N 0 1 292.379 3.063 20 5 CGBDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456522 281116529 /nfs/dbraw/zinc/11/65/29/281116529.db2.gz PNDLXFJCFGISTR-JQWIXIFHSA-N 0 1 264.325 3.063 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(O)cccc1F ZINC000163571462 534342428 /nfs/dbraw/zinc/34/24/28/534342428.db2.gz UZBQOWVTTVRNHM-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN O=[N+]([O-])c1cc(CNCc2cccc3cccnc32)cs1 ZINC000111158771 527330837 /nfs/dbraw/zinc/33/08/37/527330837.db2.gz MUXAIKLCBOXVFL-UHFFFAOYSA-N 0 1 299.355 3.494 20 5 CGBDMN CCC(C)(C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000358453792 528537196 /nfs/dbraw/zinc/53/71/96/528537196.db2.gz WNRXQHVLOWKRCU-UHFFFAOYSA-N 0 1 254.305 3.354 20 5 CGBDMN C[C@@H](COc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000728783015 571821195 /nfs/dbraw/zinc/82/11/95/571821195.db2.gz XDKRUUMEYPFLFC-NSHDSACASA-N 0 1 292.360 3.213 20 5 CGBDMN Cc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000729480036 571921169 /nfs/dbraw/zinc/92/11/69/571921169.db2.gz USHIHYXGIBOKBN-UHFFFAOYSA-N 0 1 282.343 3.462 20 5 CGBDMN CC[C@@H](C)[C@@H]1CCCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055007 572364107 /nfs/dbraw/zinc/36/41/07/572364107.db2.gz LUFVIRUHRHEIQD-RISCZKNCSA-N 0 1 294.399 3.266 20 5 CGBDMN C[C@H]1CCC[C@H](C)N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731213142 572403227 /nfs/dbraw/zinc/40/32/27/572403227.db2.gz KDOFQVAPYNPSOW-QWRGUYRKSA-N 0 1 266.316 3.497 20 5 CGBDMN C[C@@H]1[C@@H](C)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741790952 572529256 /nfs/dbraw/zinc/52/92/56/572529256.db2.gz OIQQTFZKGKIBTJ-WDEREUQCSA-N 0 1 266.316 3.354 20 5 CGBDMN CC[C@@H](C)C[N@@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179546996 618795157 /nfs/dbraw/zinc/79/51/57/618795157.db2.gz JJOYGEIVRTYUSS-LLVKDONJSA-N 0 1 290.367 3.188 20 5 CGBDMN C[C@@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286982 621669504 /nfs/dbraw/zinc/66/95/04/621669504.db2.gz LJSQZTPEHHOFOP-QMTHXVAHSA-N 0 1 286.335 3.046 20 5 CGBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839184145 626326924 /nfs/dbraw/zinc/32/69/24/626326924.db2.gz FKPUKVXVUVKCIF-UHFFFAOYSA-N 0 1 293.323 3.123 20 5 CGBDMN CC(C)(C)CN(Cn1nccc1[N+](=O)[O-])CC(C)(C)C ZINC000774639488 628011332 /nfs/dbraw/zinc/01/13/32/628011332.db2.gz KGORVPDNUZMFGZ-UHFFFAOYSA-N 0 1 282.388 3.143 20 5 CGBDMN Cc1nn(CN2CCC[C@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779865365 628438808 /nfs/dbraw/zinc/43/88/08/628438808.db2.gz LNJNZUJIILAJBI-ZDUSSCGKSA-N 0 1 294.399 3.205 20 5 CGBDMN Cc1c(F)nccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000862340412 629346177 /nfs/dbraw/zinc/34/61/77/629346177.db2.gz BDFHKTHOGCFAEU-UHFFFAOYSA-N 0 1 289.310 3.036 20 5 CGBDMN CCSCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000840205180 630910980 /nfs/dbraw/zinc/91/09/80/630910980.db2.gz ZJNRTEXVTAIWQL-UHFFFAOYSA-N 0 1 273.379 3.287 20 5 CGBDMN Cc1c([C@H](C)N[C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000866613106 633213740 /nfs/dbraw/zinc/21/37/40/633213740.db2.gz QJQJOLJVCTYSFE-NWDGAFQWSA-N 0 1 288.351 3.049 20 5 CGBDMN CC1(C)CC[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)N=C2C1 ZINC000871940971 633921873 /nfs/dbraw/zinc/92/18/73/633921873.db2.gz SNDKZSGLEWJZPL-GFCCVEGCSA-N 0 1 287.319 3.124 20 5 CGBDMN CC1(C)CCc2c([nH]n(-c3cccc([N+](=O)[O-])c3)c2=O)C1 ZINC000871940971 633921875 /nfs/dbraw/zinc/92/18/75/633921875.db2.gz SNDKZSGLEWJZPL-GFCCVEGCSA-N 0 1 287.319 3.124 20 5 CGBDMN C[C@H](NCC1(O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031327 633950721 /nfs/dbraw/zinc/95/07/21/633950721.db2.gz OKGMPSAYMOSBID-NSHDSACASA-N 0 1 296.342 3.080 20 5 CGBDMN CSC[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037311 633956847 /nfs/dbraw/zinc/95/68/47/633956847.db2.gz DIGXOZYXSULEKL-IUCAKERBSA-N 0 1 272.345 3.136 20 5 CGBDMN CO[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872038928 633959354 /nfs/dbraw/zinc/95/93/54/633959354.db2.gz BMSSVLBSBGXTCC-GWCFXTLKSA-N 0 1 284.331 3.056 20 5 CGBDMN CCC[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872075170 633998346 /nfs/dbraw/zinc/99/83/46/633998346.db2.gz PFQYJCNEDSPIHE-QWRGUYRKSA-N 0 1 284.331 3.200 20 5 CGBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000885954351 637328792 /nfs/dbraw/zinc/32/87/92/637328792.db2.gz VPEKVDFIMUJJFT-BPLDGKMQSA-N 0 1 289.379 3.390 20 5 CGBDMN CC(C)(NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885984009 637343047 /nfs/dbraw/zinc/34/30/47/637343047.db2.gz VMGOUNNWXNJMFR-UHFFFAOYSA-N 0 1 271.320 3.015 20 5 CGBDMN CCS[C@H]1CC[C@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027291 637373352 /nfs/dbraw/zinc/37/33/52/637373352.db2.gz CZNARKREJSMENJ-STQMWFEESA-N 0 1 295.408 3.096 20 5 CGBDMN Cc1ccc([C@@H](C)N[C@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000925491463 638510480 /nfs/dbraw/zinc/51/04/80/638510480.db2.gz FGXGYWXSJDVIFG-VXGBXAGGSA-N 0 1 286.335 3.105 20 5 CGBDMN COC/C(C)=C/CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140469 638977635 /nfs/dbraw/zinc/97/76/35/638977635.db2.gz ADWIBZNDSKHSBI-UKTHLTGXSA-N 0 1 290.363 3.152 20 5 CGBDMN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccns1 ZINC000858577208 638996664 /nfs/dbraw/zinc/99/66/64/638996664.db2.gz QKPMTNLMUVDENT-SKDRFNHKSA-N 0 1 289.360 3.389 20 5 CGBDMN CC1(C)CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774871 640802672 /nfs/dbraw/zinc/80/26/72/640802672.db2.gz MHIISBMGDCZRNG-UHFFFAOYSA-N 0 1 266.316 3.356 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1-c1nc2ccc(F)cc2[nH]1 ZINC001250912392 805797063 /nfs/dbraw/zinc/79/70/63/805797063.db2.gz DYMNWHYMAPAYFA-UHFFFAOYSA-N 0 1 275.214 3.416 20 5 CGBDMN Cc1cc2nc(-c3cc([N+](=O)[O-])ccn3)[nH]c2c(C)c1 ZINC001251714403 805923604 /nfs/dbraw/zinc/92/36/04/805923604.db2.gz ZJCQXWDVUIKRJI-UHFFFAOYSA-N 0 1 268.276 3.150 20 5 CGBDMN Cc1[nH]c(-c2nc3ccc(N(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802348 805937995 /nfs/dbraw/zinc/93/79/95/805937995.db2.gz KFWPIIVFRZJJTH-UHFFFAOYSA-N 0 1 299.334 3.149 20 5 CGBDMN O=[N+]([O-])c1cc(F)cc(Nc2ccc3c[nH]nc3c2)c1 ZINC001159662970 806144326 /nfs/dbraw/zinc/14/43/26/806144326.db2.gz OEOBZZGJWZXJDT-UHFFFAOYSA-N 0 1 272.239 3.354 20 5 CGBDMN Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000400901599 799551663 /nfs/dbraw/zinc/55/16/63/799551663.db2.gz NGNGYEHAAZIRBY-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222332 799635423 /nfs/dbraw/zinc/63/54/23/799635423.db2.gz LJSQZTPEHHOFOP-HZMBPMFUSA-N 0 1 286.335 3.046 20 5 CGBDMN CC(C)c1nc(CN(C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001169040232 807556774 /nfs/dbraw/zinc/55/67/74/807556774.db2.gz YYYJRKDTPIPSOC-AAEUAGOBSA-N 0 1 297.424 3.144 20 5 CGBDMN CC(C)c1ccc(-c2noc(-c3[nH]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893096 815178719 /nfs/dbraw/zinc/17/87/19/815178719.db2.gz MCUOYWWIWVYZSI-UHFFFAOYSA-N 0 1 299.290 3.158 20 5 CGBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1cscn1 ZINC001173213821 808539144 /nfs/dbraw/zinc/53/91/44/808539144.db2.gz KZQGENSSTGEDAE-GHMZBOCLSA-N 0 1 291.376 3.333 20 5 CGBDMN CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001174623339 809107679 /nfs/dbraw/zinc/10/76/79/809107679.db2.gz PVAJJLDHKFUKQZ-VXGBXAGGSA-N 0 1 278.352 3.311 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2ccc3c(c2)COC3)ccc1O ZINC001210394819 814442678 /nfs/dbraw/zinc/44/26/78/814442678.db2.gz IOWQJLLOMDLERK-UHFFFAOYSA-N 0 1 272.260 3.074 20 5 CGBDMN COc1c(F)cc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC001210397731 814443717 /nfs/dbraw/zinc/44/37/17/814443717.db2.gz FZLFDEUZILLGDC-UHFFFAOYSA-N 0 1 296.229 3.331 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1Nc1ccc(F)c(F)c1O ZINC001210448117 814460894 /nfs/dbraw/zinc/46/08/94/814460894.db2.gz SKKRPFVUHBNJNX-UHFFFAOYSA-N 0 1 296.229 3.331 20 5 CGBDMN Cc1cccc(-c2noc(-c3ccc(O)cc3[N+](=O)[O-])n2)c1 ZINC001216891125 815900190 /nfs/dbraw/zinc/90/01/90/815900190.db2.gz OWVQTHVDVAVQLI-UHFFFAOYSA-N 0 1 297.270 3.326 20 5 CGBDMN Cc1ccccc1-c1noc(-c2ccc(O)cc2[N+](=O)[O-])n1 ZINC001216891120 815900656 /nfs/dbraw/zinc/90/06/56/815900656.db2.gz OMSRIQYYPCMYJR-UHFFFAOYSA-N 0 1 297.270 3.326 20 5 CGBDMN CN1CC[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385677 817341302 /nfs/dbraw/zinc/34/13/02/817341302.db2.gz IVOGPDCMOCIUNY-OAHLLOKOSA-N 0 1 298.342 3.345 20 5 CGBDMN CCCC[C@@](C)(F)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC001327177267 935041794 /nfs/dbraw/zinc/04/17/94/935041794.db2.gz MHRQFYIICKCOIT-CQSZACIVSA-N 0 1 299.298 3.262 20 5 CGBDMN CCOc1ccc([N+](=O)[O-])cc1CNC/C=C\C1CC1 ZINC001324272125 934479925 /nfs/dbraw/zinc/47/99/25/934479925.db2.gz IIPNNYBQHFMABA-ARJAWSKDSA-N 0 1 276.336 3.049 20 5 CGBDMN CCc1cc(CNc2ccnc3c2cccc3[N+](=O)[O-])n[nH]1 ZINC001327784939 935083980 /nfs/dbraw/zinc/08/39/80/935083980.db2.gz HTTXRCSELRTUMQ-UHFFFAOYSA-N 0 1 297.318 3.041 20 5 CGBDMN CC(C)(C)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001473897973 937828530 /nfs/dbraw/zinc/82/85/30/937828530.db2.gz UHGRTJARWCACEN-OAHLLOKOSA-N 0 1 292.379 3.232 20 5 CGBDMN CCCN1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001559049990 938219478 /nfs/dbraw/zinc/21/94/78/938219478.db2.gz GKYCRVXRBWFWST-UHFFFAOYSA-N 0 1 299.321 3.064 20 5 CGBDMN CC(C)c1ncc(CNc2ccc([N+](=O)[O-])cc2F)[nH]1 ZINC001559288452 938224619 /nfs/dbraw/zinc/22/46/19/938224619.db2.gz DAZUYMBMIWNZJT-UHFFFAOYSA-N 0 1 278.287 3.193 20 5 CGBDMN CN(CCC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000592145516 346966740 /nfs/dbraw/zinc/96/67/40/346966740.db2.gz WTSCPTIVTOLQBH-UHFFFAOYSA-N 0 1 290.367 3.339 20 5 CGBDMN C[C@H]1CC2(CN1Cc1csc([N+](=O)[O-])c1)CCOCC2 ZINC000592181478 346969408 /nfs/dbraw/zinc/96/94/08/346969408.db2.gz FEZYLZBGCNQPHU-NSHDSACASA-N 0 1 296.392 3.047 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)N(C)C ZINC000080532783 345678243 /nfs/dbraw/zinc/67/82/43/345678243.db2.gz UXFPTZWYXYMQHO-CQSZACIVSA-N 0 1 289.335 3.211 20 5 CGBDMN Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000128158061 346038333 /nfs/dbraw/zinc/03/83/33/346038333.db2.gz VCBZDSZGXMFGIB-UHFFFAOYSA-N 0 1 258.277 3.186 20 5 CGBDMN CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593743238 347110316 /nfs/dbraw/zinc/11/03/16/347110316.db2.gz DPTLRPAWKJGEKZ-GWCFXTLKSA-N 0 1 292.335 3.056 20 5 CGBDMN Cc1ccc(CN[C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594978469 347247259 /nfs/dbraw/zinc/24/72/59/347247259.db2.gz BXGZOKOXEUOKEH-MRXNPFEDSA-N 0 1 298.342 3.386 20 5 CGBDMN COc1ccc2c(c1)CC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000601266715 347886560 /nfs/dbraw/zinc/88/65/60/347886560.db2.gz FCIIHSJLWKSTIX-INIZCTEOSA-N 0 1 298.342 3.381 20 5 CGBDMN Cc1c([N+](=O)[O-])cccc1N1N=C2CCCCC[C@@H]2C1=O ZINC000601938013 347926398 /nfs/dbraw/zinc/92/63/98/347926398.db2.gz FESXDPFQRVCWGD-NSHDSACASA-N 0 1 287.319 3.186 20 5 CGBDMN Cc1c([N+](=O)[O-])cccc1-n1[nH]c2c(c1=O)CCCCC2 ZINC000601938013 347926401 /nfs/dbraw/zinc/92/64/01/347926401.db2.gz FESXDPFQRVCWGD-NSHDSACASA-N 0 1 287.319 3.186 20 5 CGBDMN CC1(c2cc(=O)n(-c3ccc([N+](=O)[O-])cc3Cl)[nH]2)CC1 ZINC000601940215 347927175 /nfs/dbraw/zinc/92/71/75/347927175.db2.gz QALBYYNEGQPCQA-UHFFFAOYSA-N 0 1 293.710 3.141 20 5 CGBDMN C/C=C/CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602724890 348017860 /nfs/dbraw/zinc/01/78/60/348017860.db2.gz MZODCZIKTGDNKB-NSCUHMNNSA-N 0 1 291.170 3.085 20 5 CGBDMN CC(C)N(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158741801 188391944 /nfs/dbraw/zinc/39/19/44/188391944.db2.gz CCMMJGQSVCXQFB-UHFFFAOYSA-N 0 1 274.267 3.036 20 5 CGBDMN CSCC[C@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000126575624 138385942 /nfs/dbraw/zinc/38/59/42/138385942.db2.gz FBJJFIAYKPKAQW-VIFPVBQESA-N 0 1 274.411 3.230 20 5 CGBDMN Cc1c([C@H](C)NCc2ccoc2)cccc1[N+](=O)[O-] ZINC000178475572 189119360 /nfs/dbraw/zinc/11/93/60/189119360.db2.gz ZIYQPWOBQNXZLF-NSHDSACASA-N 0 1 260.293 3.347 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@H](C)CCC[C@@H]1C ZINC000342296014 216297898 /nfs/dbraw/zinc/29/78/98/216297898.db2.gz GQNGABDJIIWYLY-TXEJJXNPSA-N 0 1 278.352 3.366 20 5 CGBDMN CC[C@@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181500485 189298507 /nfs/dbraw/zinc/29/85/07/189298507.db2.gz XLQRXRNXVMPAKD-OAHLLOKOSA-N 0 1 289.335 3.024 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccncc1 ZINC000183705221 189366002 /nfs/dbraw/zinc/36/60/02/189366002.db2.gz HZOYOAROZOZKHO-ZDUSSCGKSA-N 0 1 285.347 3.491 20 5 CGBDMN CO[C@]1(C)C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451490881 240312477 /nfs/dbraw/zinc/31/24/77/240312477.db2.gz OXSDXXDXZKZTKA-UKRRQHHQSA-N 0 1 296.342 3.027 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CCC=CO2)c1 ZINC000275866198 193150369 /nfs/dbraw/zinc/15/03/69/193150369.db2.gz UTNSINJDROOVBD-LBPRGKRZSA-N 0 1 282.727 3.031 20 5 CGBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000121065990 370826707 /nfs/dbraw/zinc/82/67/07/370826707.db2.gz VQTPDBAITFEQJX-LLVKDONJSA-N 0 1 286.784 3.186 20 5 CGBDMN COc1ccccc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995474 368987930 /nfs/dbraw/zinc/98/79/30/368987930.db2.gz VQMGHHZSDGWSJM-UHFFFAOYSA-N 0 1 286.331 3.202 20 5 CGBDMN CC1CCN(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000040444309 369156231 /nfs/dbraw/zinc/15/62/31/369156231.db2.gz 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O=[N+]([O-])c1ccc(O)cc1CSCc1ccncc1 ZINC001166903984 807112433 /nfs/dbraw/zinc/11/24/33/807112433.db2.gz PYPMFKPHSNUGFX-UHFFFAOYSA-N 0 1 276.317 3.129 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(F)c1O ZINC001171632647 808110116 /nfs/dbraw/zinc/11/01/16/808110116.db2.gz JNCQVLRXIMTWMI-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN O=[N+]([O-])c1ccccc1Nc1snc2cccnc21 ZINC001206157995 813218860 /nfs/dbraw/zinc/21/88/60/813218860.db2.gz OESSIDCGSQXUKO-UHFFFAOYSA-N 0 1 272.289 3.343 20 5 CGBDMN Cc1c(C)c(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1O ZINC001210397919 814443656 /nfs/dbraw/zinc/44/36/56/814443656.db2.gz IJZDAGWLAFIREG-UHFFFAOYSA-N 0 1 274.276 3.366 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cc(O)cc(Cl)c2)ccc1O ZINC001210398376 814444797 /nfs/dbraw/zinc/44/47/97/814444797.db2.gz XEPSWZYAQMDTRA-UHFFFAOYSA-N 0 1 280.667 3.403 20 5 CGBDMN CN1CCc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC001210399237 814446206 /nfs/dbraw/zinc/44/62/06/814446206.db2.gz ODYKQIKBYBXUII-UHFFFAOYSA-N 0 1 285.303 3.036 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cc(O)c(F)cc2F)ccc1O ZINC001210401619 814447494 /nfs/dbraw/zinc/44/74/94/814447494.db2.gz VKKXZTCPCYXZSM-UHFFFAOYSA-N 0 1 282.202 3.028 20 5 CGBDMN CC[C@H](C)[C@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095514 817556946 /nfs/dbraw/zinc/55/69/46/817556946.db2.gz KCAFGELMQHZAKD-IUCAKERBSA-N 0 1 291.307 3.057 20 5 CGBDMN CCCC[C@H](CC)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001437851734 937299213 /nfs/dbraw/zinc/29/92/13/937299213.db2.gz BVHHCVXSBKQKGA-BFHYXJOUSA-N 0 1 284.400 3.107 20 5 CGBDMN CCCOc1ccccc1[C@H](CC(C)C)NCC[N+](=O)[O-] ZINC001459838464 937503176 /nfs/dbraw/zinc/50/31/76/937503176.db2.gz QVUQZGRXVMBHQT-HNNXBMFYSA-N 0 1 294.395 3.429 20 5 CGBDMN C[C@H]1CC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])CC1 ZINC001230601329 932596273 /nfs/dbraw/zinc/59/62/73/932596273.db2.gz MIENNQPHFWXXHJ-HOMQSWHASA-N 0 1 275.308 3.429 20 5 CGBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC001334683915 936108284 /nfs/dbraw/zinc/10/82/84/936108284.db2.gz FNYIEPWFQDPCLC-JTQLQIEISA-N 0 1 278.739 3.421 20 5 CGBDMN Cc1ccc(NC(=O)c2ccc(F)c(O)c2)cc1[N+](=O)[O-] ZINC001540601559 938132375 /nfs/dbraw/zinc/13/23/75/938132375.db2.gz DSEIEUDBRPDPAX-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN O=C(Oc1c(Cl)ccc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC001544493997 938145434 /nfs/dbraw/zinc/14/54/34/938145434.db2.gz HCKBFGVNTRDCPJ-ZYHUDNBSSA-N 0 1 291.690 3.064 20 5 CGBDMN C[C@@H](NCc1cccc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC001560274219 938250761 /nfs/dbraw/zinc/25/07/61/938250761.db2.gz HJIIEXPBJOTWPE-GFCCVEGCSA-N 0 1 296.330 3.093 20 5 CGBDMN Cc1cccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000338956776 214862877 /nfs/dbraw/zinc/86/28/77/214862877.db2.gz VSBRMMOHBNEIGJ-UHFFFAOYSA-N 0 1 272.304 3.245 20 5 CGBDMN CC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174809 345130526 /nfs/dbraw/zinc/13/05/26/345130526.db2.gz JFIZNUKPCJAVAB-SNVBAGLBSA-N 0 1 254.355 3.278 20 5 CGBDMN O=[N+]([O-])c1ccc(OCCN2CCc3ccccc3C2)cc1 ZINC000065208234 345269334 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ZINC000611293089 348435846 /nfs/dbraw/zinc/43/58/46/348435846.db2.gz DBPCGYMSGAYTBO-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335504 348438707 /nfs/dbraw/zinc/43/87/07/348438707.db2.gz REUAQKUQWMTUPK-LBPRGKRZSA-N 0 1 285.347 3.457 20 5 CGBDMN C[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501825 348457004 /nfs/dbraw/zinc/45/70/04/348457004.db2.gz ISNLZLBFDPWXEN-DOMZBBRYSA-N 0 1 296.342 3.044 20 5 CGBDMN CCN(CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352112883 219324072 /nfs/dbraw/zinc/32/40/72/219324072.db2.gz DNVKGPMIRAFENB-JTQLQIEISA-N 0 1 290.323 3.048 20 5 CGBDMN CCc1nc(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000180022267 189232540 /nfs/dbraw/zinc/23/25/40/189232540.db2.gz QUCQRQKXDKBLSB-SECBINFHSA-N 0 1 292.364 3.437 20 5 CGBDMN CCc1n[nH]c(S[C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000180022267 189232541 /nfs/dbraw/zinc/23/25/41/189232541.db2.gz QUCQRQKXDKBLSB-SECBINFHSA-N 0 1 292.364 3.437 20 5 CGBDMN CCO[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451523489 240317121 /nfs/dbraw/zinc/31/71/21/240317121.db2.gz JOEIFRJZTQVRLJ-MLGOLLRUSA-N 0 1 292.379 3.150 20 5 CGBDMN CC(C)(C)c1n[nH]c(SCc2ccccc2[N+](=O)[O-])n1 ZINC000028789290 368889028 /nfs/dbraw/zinc/88/90/28/368889028.db2.gz VUDHHGINCHHKQZ-UHFFFAOYSA-N 0 1 292.364 3.303 20 5 CGBDMN CC(C)(C)c1nc(SCc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000028789290 368889031 /nfs/dbraw/zinc/88/90/31/368889031.db2.gz VUDHHGINCHHKQZ-UHFFFAOYSA-N 0 1 292.364 3.303 20 5 CGBDMN C[C@@H](NCc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000154442806 371846550 /nfs/dbraw/zinc/84/65/50/371846550.db2.gz GEQAAGOCPWOOCR-LLVKDONJSA-N 0 1 272.304 3.151 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]2CCC[C@H]21 ZINC000441441624 373012978 /nfs/dbraw/zinc/01/29/78/373012978.db2.gz RWNIBKYCXQPRLK-SWLSCSKDSA-N 0 1 290.363 3.368 20 5 CGBDMN CN(CCN(C)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000353621797 220199345 /nfs/dbraw/zinc/19/93/45/220199345.db2.gz MXQGXUUCWHKVIK-UHFFFAOYSA-N 0 1 299.374 3.163 20 5 CGBDMN C[C@@H]1C[C@@H](C)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311706017 374252936 /nfs/dbraw/zinc/25/29/36/374252936.db2.gz MVJNOEFLHNXFPU-GHMZBOCLSA-N 0 1 266.316 3.212 20 5 CGBDMN COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000183281171 374395198 /nfs/dbraw/zinc/39/51/98/374395198.db2.gz STVKBXIEYHXGFP-UHFFFAOYSA-N 0 1 280.368 3.008 20 5 CGBDMN Cc1ccc(CN2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000186614813 374887895 /nfs/dbraw/zinc/88/78/95/374887895.db2.gz VIHROJHSPKIOAA-UHFFFAOYSA-N 0 1 260.337 3.279 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCCC23CCC3)cs1 ZINC000335717682 375373046 /nfs/dbraw/zinc/37/30/46/375373046.db2.gz SQUUKRPHFWBOQF-UHFFFAOYSA-N 0 1 252.339 3.175 20 5 CGBDMN CC(C)n1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000226241496 376345036 /nfs/dbraw/zinc/34/50/36/376345036.db2.gz XJVHBKXJHKBXQO-GFCCVEGCSA-N 0 1 288.351 3.223 20 5 CGBDMN CCCn1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000227284220 376386333 /nfs/dbraw/zinc/38/63/33/376386333.db2.gz WRSCYTFIYGBNKG-GFCCVEGCSA-N 0 1 288.351 3.052 20 5 CGBDMN CO[C@@H](CC(C)C)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561235140 377214856 /nfs/dbraw/zinc/21/48/56/377214856.db2.gz ZGXVSAFNLINSFT-AWEZNQCLSA-N 0 1 292.379 3.014 20 5 CGBDMN C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169574 249006266 /nfs/dbraw/zinc/00/62/66/249006266.db2.gz XNYDFMLODAKDJU-LLVKDONJSA-N 0 1 289.335 3.358 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3cccnc3)C2)cs1 ZINC000517560681 249267539 /nfs/dbraw/zinc/26/75/39/249267539.db2.gz SSOIDFVNPAPWDZ-ZDUSSCGKSA-N 0 1 289.360 3.041 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1[C@@H](C)CCC[C@@H]1C ZINC000342296012 377638896 /nfs/dbraw/zinc/63/88/96/377638896.db2.gz GQNGABDJIIWYLY-RYUDHWBXSA-N 0 1 278.352 3.366 20 5 CGBDMN Cc1cc(N2CCC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000578586167 378083537 /nfs/dbraw/zinc/08/35/37/378083537.db2.gz NNZZDCSVFUSJJD-NSHDSACASA-N 0 1 289.310 3.390 20 5 CGBDMN CC(C)CO[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350111 378054373 /nfs/dbraw/zinc/05/43/73/378054373.db2.gz DFIYIWQGUKPOTK-ZIAGYGMSSA-N 0 1 292.379 3.403 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](C)C1 ZINC000347585384 218281542 /nfs/dbraw/zinc/28/15/42/218281542.db2.gz UEWKONNRLGMQGT-VXGBXAGGSA-N 0 1 278.352 3.081 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCCO1 ZINC000266680349 190274475 /nfs/dbraw/zinc/27/44/75/190274475.db2.gz AFTUPMIWWCEGOM-OLZOCXBDSA-N 0 1 278.352 3.157 20 5 CGBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000377244914 379651467 /nfs/dbraw/zinc/65/14/67/379651467.db2.gz MUODNBQGMBXJSL-OAHLLOKOSA-N 0 1 297.358 3.054 20 5 CGBDMN COc1cc(CN2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352424851 379809989 /nfs/dbraw/zinc/80/99/89/379809989.db2.gz IOMQZYYWGQOYBW-UHFFFAOYSA-N 0 1 278.352 3.225 20 5 CGBDMN C[C@H]1CSC[C@@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000352803673 379970271 /nfs/dbraw/zinc/97/02/71/379970271.db2.gz ZAMUTXZHLQILRQ-KWQFWETISA-N 0 1 286.784 3.089 20 5 CGBDMN Cc1nccc(NCCc2ccccc2[N+](=O)[O-])c1Cl ZINC000353163550 380147942 /nfs/dbraw/zinc/14/79/42/380147942.db2.gz NHLXYJICLABAAO-UHFFFAOYSA-N 0 1 291.738 3.028 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCC[C@@H]1F)CCC2 ZINC000340523020 285145720 /nfs/dbraw/zinc/14/57/20/285145720.db2.gz MARVAWODRBQGTO-ZNMIVQPWSA-N 0 1 278.327 3.452 20 5 CGBDMN CCCC[C@@H](CC)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000475389540 393398330 /nfs/dbraw/zinc/39/83/30/393398330.db2.gz OFRBVRRJHROVQC-LLVKDONJSA-N 0 1 294.351 3.247 20 5 CGBDMN Nc1cccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000420357500 393472803 /nfs/dbraw/zinc/47/28/03/393472803.db2.gz HYVFMUIHORAALK-UHFFFAOYSA-N 0 1 297.358 3.342 20 5 CGBDMN CCc1cnccc1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000361132201 393679654 /nfs/dbraw/zinc/67/96/54/393679654.db2.gz OFAFGGTVVNCPOE-LBPRGKRZSA-N 0 1 285.347 3.403 20 5 CGBDMN Cc1c(CN2CCSC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451643817 394047144 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ZINC000037500131 173237950 /nfs/dbraw/zinc/23/79/50/173237950.db2.gz PRMOOTWGOPPUFX-UHFFFAOYSA-N 0 1 286.331 3.031 20 5 CGBDMN C[C@@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650991 274284874 /nfs/dbraw/zinc/28/48/74/274284874.db2.gz FFCMCUORZYGLGG-LLVKDONJSA-N 0 1 288.351 3.236 20 5 CGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000453245236 278364908 /nfs/dbraw/zinc/36/49/08/278364908.db2.gz HHMNAWYBSDLKLX-VHSXEESVSA-N 0 1 277.349 3.463 20 5 CGBDMN C[C@@H]1[C@@H](C)CCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493312798 279079844 /nfs/dbraw/zinc/07/98/44/279079844.db2.gz ZVTVZAGSCOHCFQ-VHSXEESVSA-N 0 1 268.744 3.479 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCC[C@H]1F ZINC000550927476 289090899 /nfs/dbraw/zinc/09/08/99/289090899.db2.gz BSUVEKPZZIFHTI-HONMWMINSA-N 0 1 266.316 3.444 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CCN(CCCCCF)C2 ZINC000556499218 289394892 /nfs/dbraw/zinc/39/48/92/289394892.db2.gz CDEVZAPUEVUAQV-UHFFFAOYSA-N 0 1 266.316 3.093 20 5 CGBDMN 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VVHKFMMOJHITME-LLVKDONJSA-N 0 1 288.351 3.040 20 5 CGBDMN CCc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000765995403 800383752 /nfs/dbraw/zinc/38/37/52/800383752.db2.gz VVHKFMMOJHITME-LLVKDONJSA-N 0 1 288.351 3.040 20 5 CGBDMN CCCCCc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1 ZINC001256144625 806833078 /nfs/dbraw/zinc/83/30/78/806833078.db2.gz KUPLFKDBZWMICK-UHFFFAOYSA-N 0 1 277.280 3.083 20 5 CGBDMN CC[C@H](Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC001227095426 817556236 /nfs/dbraw/zinc/55/62/36/817556236.db2.gz JFGVWRMLIKZZEY-LBPRGKRZSA-N 0 1 291.307 3.057 20 5 CGBDMN CC(C)[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860306 818026264 /nfs/dbraw/zinc/02/62/64/818026264.db2.gz STTSQOIWOCODAW-LURJTMIESA-N 0 1 294.229 3.138 20 5 CGBDMN C[C@H]1CCCC[C@@H]1Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230596986 932596258 /nfs/dbraw/zinc/59/62/58/932596258.db2.gz ZDBPZDVOFZUWIB-ZANVPECISA-N 0 1 275.308 3.429 20 5 CGBDMN C[C@@H](Oc1cc2[nH]ncc2cc1[N+](=O)[O-])c1nccs1 ZINC001230601308 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C=C/C=C/CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473217736 937798278 /nfs/dbraw/zinc/79/82/78/937798278.db2.gz KEPMNPDVCLSJOW-ONEGZZNKSA-N 0 1 258.321 3.085 20 5 CGBDMN CCC[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001473859279 937825167 /nfs/dbraw/zinc/82/51/67/937825167.db2.gz FXLYASQTHZAJHU-LLVKDONJSA-N 0 1 288.351 3.236 20 5 CGBDMN CC(C)(NCc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000590053320 346824310 /nfs/dbraw/zinc/82/43/10/346824310.db2.gz HZYIUWKGDBUZRB-UHFFFAOYSA-N 0 1 286.331 3.325 20 5 CGBDMN CCCn1nccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160097806 346170217 /nfs/dbraw/zinc/17/02/17/346170217.db2.gz KUKIRFDQTICYCH-LBPRGKRZSA-N 0 1 288.351 3.052 20 5 CGBDMN CCCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593735327 347109024 /nfs/dbraw/zinc/10/90/24/347109024.db2.gz VCLUWWWPYHDKDC-UHFFFAOYSA-N 0 1 292.335 3.058 20 5 CGBDMN COc1ccc2c(c1)CN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000594029083 347140362 /nfs/dbraw/zinc/14/03/62/347140362.db2.gz PBPDUVMSVLTJIC-UHFFFAOYSA-N 0 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C[C@H](NCc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647461 619371651 /nfs/dbraw/zinc/37/16/51/619371651.db2.gz KUHKJEVRRRFXDY-JTQLQIEISA-N 0 1 291.738 3.494 20 5 CGBDMN COC(C)(C)[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331825 621706085 /nfs/dbraw/zinc/70/60/85/621706085.db2.gz NZNINONSWCKYFI-ZJUUUORDSA-N 0 1 284.331 3.198 20 5 CGBDMN Cc1cc(C)c(C)c(OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000916857954 624218815 /nfs/dbraw/zinc/21/88/15/624218815.db2.gz XGHZCSJPWOBTCM-UHFFFAOYSA-N 0 1 274.276 3.067 20 5 CGBDMN CCCCN(C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774633916 628010460 /nfs/dbraw/zinc/01/04/60/628010460.db2.gz GNVWMCHICRCNFG-UHFFFAOYSA-N 0 1 296.758 3.287 20 5 CGBDMN Cc1nn(CN2CCC[C@@H](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000779865363 628438905 /nfs/dbraw/zinc/43/89/05/628438905.db2.gz LNJNZUJIILAJBI-CYBMUJFWSA-N 0 1 294.399 3.205 20 5 CGBDMN CC[C@@H]1CC[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875049 629389789 /nfs/dbraw/zinc/38/97/89/629389789.db2.gz XNAXJVDLGOXDKS-ZYHUDNBSSA-N 0 1 293.323 3.266 20 5 CGBDMN O=[N+]([O-])c1cccc(-c2cnn(CN(C3CC3)C3CC3)c2)c1 ZINC000863302657 629527976 /nfs/dbraw/zinc/52/79/76/629527976.db2.gz HXMHCENTFCYDSK-UHFFFAOYSA-N 0 1 298.346 3.043 20 5 CGBDMN CC1=C[C@H](C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555209 630343034 /nfs/dbraw/zinc/34/30/34/630343034.db2.gz HPUOMSCZXLLLGP-JTQLQIEISA-N 0 1 264.300 3.132 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000827507247 633495658 /nfs/dbraw/zinc/49/56/58/633495658.db2.gz VOYUJYUBDDKQNC-QWRGUYRKSA-N 0 1 266.728 3.090 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c(C2CCCC2)cc1=O ZINC000871949902 633923740 /nfs/dbraw/zinc/92/37/40/633923740.db2.gz PWGMUVADBIOUCF-UHFFFAOYSA-N 0 1 287.319 3.186 20 5 CGBDMN CC[C@H](C)[C@@](C)(O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033687 633953159 /nfs/dbraw/zinc/95/31/59/633953159.db2.gz DNYPDXGPFUBABR-PGUXBMHVSA-N 0 1 298.358 3.182 20 5 CGBDMN CO[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872038931 633959275 /nfs/dbraw/zinc/95/92/75/633959275.db2.gz BMSSVLBSBGXTCC-ZWNOBZJWSA-N 0 1 284.331 3.056 20 5 CGBDMN CCC1(N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872075105 633998062 /nfs/dbraw/zinc/99/80/62/633998062.db2.gz ODUOBWDPBZBRPK-SECBINFHSA-N 0 1 252.289 3.327 20 5 CGBDMN C[C@@H](NC[C@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086787 634013099 /nfs/dbraw/zinc/01/30/99/634013099.db2.gz ZJUFYWGXZVJEOH-IJLUTSLNSA-N 0 1 296.342 3.342 20 5 CGBDMN C[C@@H](NC[C@@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086788 634013365 /nfs/dbraw/zinc/01/33/65/634013365.db2.gz ZJUFYWGXZVJEOH-UTUOFQBUSA-N 0 1 296.342 3.342 20 5 CGBDMN C[C@@H]1CCC(C)(C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832565270 634073081 /nfs/dbraw/zinc/07/30/81/634073081.db2.gz QRJNKSMBQQMVAF-SNVBAGLBSA-N 0 1 293.323 3.266 20 5 CGBDMN CC[C@@H](C)[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837623349 634952629 /nfs/dbraw/zinc/95/26/29/634952629.db2.gz XLOJZMLQGDTAKB-ZJUUUORDSA-N 0 1 281.308 3.026 20 5 CGBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC1(F)F ZINC000840968122 635096446 /nfs/dbraw/zinc/09/64/46/635096446.db2.gz NSRSLXUJNOVZRX-OIBJUYFYSA-N 0 1 290.697 3.382 20 5 CGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CF)C1 ZINC000880293242 635966453 /nfs/dbraw/zinc/96/64/53/635966453.db2.gz GESSQPBZQIMLAW-GFCCVEGCSA-N 0 1 296.342 3.173 20 5 CGBDMN Cc1cc(N2CCC(F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000882806056 636427136 /nfs/dbraw/zinc/42/71/36/636427136.db2.gz INTBGFWZVYBFJB-UHFFFAOYSA-N 0 1 289.310 3.390 20 5 CGBDMN Cc1cc(N[C@@H]2CCN(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853232126 637788970 /nfs/dbraw/zinc/78/89/70/637788970.db2.gz SIYQOGSGPDPQBB-SNVBAGLBSA-N 0 1 295.770 3.205 20 5 CGBDMN CC(C)[C@@H](NCC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000930233841 638985029 /nfs/dbraw/zinc/98/50/29/638985029.db2.gz VKMIGHFIEIYJLY-GFCCVEGCSA-N 0 1 290.285 3.269 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250656657 805751140 /nfs/dbraw/zinc/75/11/40/805751140.db2.gz AQJIXJBJOSDGOT-UHFFFAOYSA-N 0 1 299.261 3.212 20 5 CGBDMN COc1ccc2nc(-c3c(C)cccc3[N+](=O)[O-])[nH]c2c1 ZINC001251616304 805913054 /nfs/dbraw/zinc/91/30/54/805913054.db2.gz LLPLADJUVFBCMW-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN O=[N+]([O-])c1ccnc(-c2nc3cc(F)cc(Cl)c3[nH]2)c1 ZINC001251714137 805923615 /nfs/dbraw/zinc/92/36/15/805923615.db2.gz JTNVIDMTIGRPCL-UHFFFAOYSA-N 0 1 292.657 3.326 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1Nc1ccc2c[nH]nc2c1 ZINC001159663150 806144167 /nfs/dbraw/zinc/14/41/67/806144167.db2.gz RGNJYSICYQDGOH-UHFFFAOYSA-N 0 1 284.275 3.223 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1Cc3cccc(F)c3C1)C2 ZINC001254604811 806460310 /nfs/dbraw/zinc/46/03/10/806460310.db2.gz XROPNPAPEFSFFN-HNNXBMFYSA-N 0 1 298.317 3.217 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1Cc3cccc(F)c3C1)C2 ZINC001254604816 806460606 /nfs/dbraw/zinc/46/06/06/806460606.db2.gz XROPNPAPEFSFFN-OAHLLOKOSA-N 0 1 298.317 3.217 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000706756204 799965252 /nfs/dbraw/zinc/96/52/52/799965252.db2.gz AXINOQSIRHIASW-AAEUAGOBSA-N 0 1 264.300 3.108 20 5 CGBDMN Cc1cc(CNc2ccc([N+](=O)[O-])cc2C(F)F)n[nH]1 ZINC000716513165 800173822 /nfs/dbraw/zinc/17/38/22/800173822.db2.gz WGYHRSHSVCJPNI-UHFFFAOYSA-N 0 1 282.250 3.176 20 5 CGBDMN Nc1ccc2cc3ccc(Nc4cn[nH]c4)cc3nc2c1 ZINC001174296263 808938533 /nfs/dbraw/zinc/93/85/33/808938533.db2.gz BPXVKVBLZAFIMB-UHFFFAOYSA-N 0 1 275.315 3.437 20 5 CGBDMN Cc1cccc2ncc(Nc3ccc([N+](=O)[O-])cc3)n21 ZINC001174477873 809033017 /nfs/dbraw/zinc/03/30/17/809033017.db2.gz ZXKCTJAISRSCKM-UHFFFAOYSA-N 0 1 268.276 3.295 20 5 CGBDMN Cc1cc(C)[nH+]c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174502469 809052805 /nfs/dbraw/zinc/05/28/05/809052805.db2.gz PORVLUNUNJRUDO-UHFFFAOYSA-N 0 1 287.275 3.048 20 5 CGBDMN Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c(F)c1 ZINC001210394807 814442317 /nfs/dbraw/zinc/44/23/17/814442317.db2.gz IHGBTNXCWSAIHR-UHFFFAOYSA-N 0 1 262.240 3.492 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cccc(-n3ccnc3)c2)ccc1O ZINC001210395038 814442547 /nfs/dbraw/zinc/44/25/47/814442547.db2.gz OHEFHJUWYWGGEK-UHFFFAOYSA-N 0 1 296.286 3.230 20 5 CGBDMN COc1ccccc1[C@H](C)Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225488712 817071751 /nfs/dbraw/zinc/07/17/51/817071751.db2.gz JISQRXQGBZVRJE-JTQLQIEISA-N 0 1 289.287 3.449 20 5 CGBDMN COc1cccc([C@@H](C)Oc2cc(O)ccc2[N+](=O)[O-])c1 ZINC001225491217 817073244 /nfs/dbraw/zinc/07/32/44/817073244.db2.gz NMUVUTTXYZNLHF-SNVBAGLBSA-N 0 1 289.287 3.449 20 5 CGBDMN CCN1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809655 817472362 /nfs/dbraw/zinc/47/23/62/817472362.db2.gz GAZJCDSYQWLHCU-NSHDSACASA-N 0 1 284.743 3.111 20 5 CGBDMN CCC[C@@H](CC)Oc1cc(O)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001228811347 818012846 /nfs/dbraw/zinc/01/28/46/818012846.db2.gz PEZAFXYTCBTTIM-SECBINFHSA-N 0 1 297.307 3.045 20 5 CGBDMN O=C(Nc1cccc(C2CCCCC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001438063497 937301589 /nfs/dbraw/zinc/30/15/89/937301589.db2.gz RVMXSYACISMSNM-HUUCEWRRSA-N 0 1 288.347 3.338 20 5 CGBDMN Cc1cccnc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001460940408 937554966 /nfs/dbraw/zinc/55/49/66/937554966.db2.gz VQCCHOPJPUSKCQ-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CCC[C@H]1CCCC[C@H]1Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229382329 932141998 /nfs/dbraw/zinc/14/19/98/932141998.db2.gz RULLYCSSEDCPTC-WDEREUQCSA-N 0 1 295.339 3.137 20 5 CGBDMN COC(C)(C)C[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601875 932597100 /nfs/dbraw/zinc/59/71/00/932597100.db2.gz SAOLPCSSZDZVID-SECBINFHSA-N 0 1 293.323 3.054 20 5 CGBDMN CCC[C@@H](CC)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230595885 932597118 /nfs/dbraw/zinc/59/71/18/932597118.db2.gz NSZZKICVJAXFGW-SNVBAGLBSA-N 0 1 263.297 3.429 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H](C2CCC2)CC1 ZINC001473743397 937820590 /nfs/dbraw/zinc/82/05/90/937820590.db2.gz SBWBHHJIEMEJIM-CQSZACIVSA-N 0 1 289.379 3.392 20 5 CGBDMN Cc1ccc(CNCc2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC001560563013 938263121 /nfs/dbraw/zinc/26/31/21/938263121.db2.gz QAUBLMNSBVVAPE-UHFFFAOYSA-N 0 1 297.314 3.334 20 5 CGBDMN CCCCCC[C@H](CC)CN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001586972624 963158320 /nfs/dbraw/zinc/15/83/20/963158320.db2.gz KJCKWPAOLAVTFA-BFHYXJOUSA-N 0 1 284.400 3.107 20 5 CGBDMN CC[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000350740991 219056580 /nfs/dbraw/zinc/05/65/80/219056580.db2.gz BTMDNYWEFABAFC-SNVBAGLBSA-N 0 1 252.289 3.108 20 5 CGBDMN CCN(CCSC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592199667 346971389 /nfs/dbraw/zinc/97/13/89/346971389.db2.gz IGYGTDFDJRLSCQ-UHFFFAOYSA-N 0 1 288.800 3.433 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSCCCCF ZINC000593196848 347051061 /nfs/dbraw/zinc/05/10/61/347051061.db2.gz OBLBINHRMAGDIF-UHFFFAOYSA-N 0 1 259.302 3.283 20 5 CGBDMN Cc1c(CN2C[C@@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000075894700 345526721 /nfs/dbraw/zinc/52/67/21/345526721.db2.gz HERJBYGLFVMYQK-PHIMTYICSA-N 0 1 280.393 3.229 20 5 CGBDMN Cc1occc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505656 347181488 /nfs/dbraw/zinc/18/14/88/347181488.db2.gz YOSNRRRWYFGVBZ-AWEZNQCLSA-N 0 1 272.304 3.273 20 5 CGBDMN COCCN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595295604 347288324 /nfs/dbraw/zinc/28/83/24/347288324.db2.gz MOFYECMASVJQJU-UHFFFAOYSA-N 0 1 296.342 3.125 20 5 CGBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)C ZINC000595309506 347290159 /nfs/dbraw/zinc/29/01/59/347290159.db2.gz VRGJQDQKKIFHEV-UHFFFAOYSA-N 0 1 254.305 3.212 20 5 CGBDMN Cc1noc(CN2CC[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595742244 347348741 /nfs/dbraw/zinc/34/87/41/347348741.db2.gz YANULDNBGOAIHH-CYBMUJFWSA-N 0 1 293.367 3.293 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CCF)C2)c(F)c1 ZINC000595755566 347351900 /nfs/dbraw/zinc/35/19/00/347351900.db2.gz OCTXKHQSTMKQTG-LLVKDONJSA-N 0 1 284.306 3.306 20 5 CGBDMN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000599513280 347749436 /nfs/dbraw/zinc/74/94/36/347749436.db2.gz RRHYSSBNBCWRAK-PHIMTYICSA-N 0 1 284.306 3.318 20 5 CGBDMN Cc1c([C@@H](C)NCC(C)(C)F)cccc1[N+](=O)[O-] ZINC000601287801 347888904 /nfs/dbraw/zinc/88/89/04/347888904.db2.gz MGQUAZVHASDUAQ-SNVBAGLBSA-N 0 1 254.305 3.302 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)F ZINC000601287323 347888954 /nfs/dbraw/zinc/88/89/54/347888954.db2.gz HGNSUGDHUZOQBI-SNVBAGLBSA-N 0 1 254.305 3.302 20 5 CGBDMN CCOC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604273870 348112755 /nfs/dbraw/zinc/11/27/55/348112755.db2.gz TZCAYOXGVYIYGU-GFCCVEGCSA-N 0 1 278.352 3.157 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CC(Cc3ccccc3)C2)c1 ZINC000611177994 348426403 /nfs/dbraw/zinc/42/64/03/348426403.db2.gz LCEVHVSPODJZOV-UHFFFAOYSA-N 0 1 282.343 3.269 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CC(Cc2ccccc2)C1 ZINC000611177933 348426414 /nfs/dbraw/zinc/42/64/14/348426414.db2.gz BJXWLWWBSPSKMW-UHFFFAOYSA-N 0 1 282.343 3.269 20 5 CGBDMN O=[N+]([O-])c1ccsc1NC[C@@H]1CCCCN1C1CC1 ZINC000617976693 349031963 /nfs/dbraw/zinc/03/19/63/349031963.db2.gz ZUWYOYJWICILJR-NSHDSACASA-N 0 1 281.381 3.085 20 5 CGBDMN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000123060401 187068469 /nfs/dbraw/zinc/06/84/69/187068469.db2.gz QERBFVXASQJVRU-MNOVXSKESA-N 0 1 289.335 3.214 20 5 CGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC1CC1 ZINC000104675199 138350456 /nfs/dbraw/zinc/35/04/56/138350456.db2.gz DXMJKUCRGDLRAP-UHFFFAOYSA-N 0 1 278.352 3.224 20 5 CGBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNCCF)s1 ZINC000437234628 237264609 /nfs/dbraw/zinc/26/46/09/237264609.db2.gz IVSQGWADDCQBMJ-UHFFFAOYSA-N 0 1 280.324 3.382 20 5 CGBDMN Cc1ccc([C@H](C)NC/C=C/Cl)cc1[N+](=O)[O-] ZINC000181840151 189308140 /nfs/dbraw/zinc/30/81/40/189308140.db2.gz CBOPYYHBWZVSGQ-YVGDHZEHSA-N 0 1 254.717 3.306 20 5 CGBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c2cccc3O)cc1 ZINC000037668385 369098878 /nfs/dbraw/zinc/09/88/78/369098878.db2.gz CZRLQHVUZAXEJN-OAHLLOKOSA-N 0 1 284.315 3.078 20 5 CGBDMN C[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037910711 369125240 /nfs/dbraw/zinc/12/52/40/369125240.db2.gz ZSTHNZLECZYMAT-SECBINFHSA-N 0 1 254.717 3.233 20 5 CGBDMN O=[N+]([O-])c1ccccc1CNc1ccc2c(n1)CCC2 ZINC000134293675 371321139 /nfs/dbraw/zinc/32/11/39/371321139.db2.gz LDSAZWAIQDHISN-UHFFFAOYSA-N 0 1 269.304 3.091 20 5 CGBDMN CC(C)(NCc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000136298452 371473540 /nfs/dbraw/zinc/47/35/40/371473540.db2.gz CUDBFFOSPXEZCZ-UHFFFAOYSA-N 0 1 277.349 3.076 20 5 CGBDMN CC(C)(C)OCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153294561 371761734 /nfs/dbraw/zinc/76/17/34/371761734.db2.gz UBTXMKJNNJPSRN-UHFFFAOYSA-N 0 1 292.379 3.374 20 5 CGBDMN C[C@H]1CCCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000353494328 220116267 /nfs/dbraw/zinc/11/62/67/220116267.db2.gz ZPPSWAQLQICTIH-JTQLQIEISA-N 0 1 254.355 3.421 20 5 CGBDMN COC[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174860878 373372453 /nfs/dbraw/zinc/37/24/53/373372453.db2.gz WSJJLKOZUBGCMF-LLVKDONJSA-N 0 1 298.770 3.107 20 5 CGBDMN Cc1ncccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175985063 373546223 /nfs/dbraw/zinc/54/62/23/373546223.db2.gz ATAIBXUVSCRIAJ-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN CC[C@@H]1[C@@H](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000185602173 374695869 /nfs/dbraw/zinc/69/58/69/374695869.db2.gz ZEKQYTWZHUEFLO-GXSJLCMTSA-N 0 1 254.355 3.277 20 5 CGBDMN CCc1nc(S[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000198748823 376122274 /nfs/dbraw/zinc/12/22/74/376122274.db2.gz AOZGOGPSMCGZLA-MRVPVSSYSA-N 0 1 278.337 3.129 20 5 CGBDMN CCc1n[nH]c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000198748823 376122280 /nfs/dbraw/zinc/12/22/80/376122280.db2.gz AOZGOGPSMCGZLA-MRVPVSSYSA-N 0 1 278.337 3.129 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ccc(F)cc21 ZINC000339029746 376636467 /nfs/dbraw/zinc/63/64/67/376636467.db2.gz PRKBYSTVVBSIAP-UHFFFAOYSA-N 0 1 288.278 3.002 20 5 CGBDMN CC[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255061850 377728846 /nfs/dbraw/zinc/72/88/46/377728846.db2.gz HNNTWYCVSLFPLH-BRLPQQTGSA-N 0 1 292.404 3.435 20 5 CGBDMN CC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255061850 377728853 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292.335 3.001 20 5 CGBDMN CCN(CCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000355048489 528425614 /nfs/dbraw/zinc/42/56/14/528425614.db2.gz YMKVQKKIZGVOTF-UHFFFAOYSA-N 0 1 266.316 3.356 20 5 CGBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1CC1CCCCC1 ZINC000747076665 572907875 /nfs/dbraw/zinc/90/78/75/572907875.db2.gz QLPWMVJAYYBGCW-CQSZACIVSA-N 0 1 292.383 3.184 20 5 CGBDMN Cc1cc(C)nc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000930594579 619027477 /nfs/dbraw/zinc/02/74/77/619027477.db2.gz MFMRRNLJJLGHTP-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CNc1ccccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000902525169 621362212 /nfs/dbraw/zinc/36/22/12/621362212.db2.gz WRMLGCLKJMOJRX-UHFFFAOYSA-N 0 1 285.347 3.235 20 5 CGBDMN C[C@@H](CN[C@@H](C)c1ncco1)c1ccccc1[N+](=O)[O-] ZINC000903245865 621638079 /nfs/dbraw/zinc/63/80/79/621638079.db2.gz PJKBVLSIGJJPPH-QWRGUYRKSA-N 0 1 275.308 3.037 20 5 CGBDMN Cc1c([C@@H](C)NC/C=C/Cl)cccc1[N+](=O)[O-] ZINC000903443216 621754401 /nfs/dbraw/zinc/75/44/01/621754401.db2.gz 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BPEMLWWACGLQGI-UHFFFAOYSA-N 0 1 294.311 3.022 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](C)C1 ZINC000347585378 218280955 /nfs/dbraw/zinc/28/09/55/218280955.db2.gz UEWKONNRLGMQGT-NEPJUHHUSA-N 0 1 278.352 3.081 20 5 CGBDMN CCN(Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000355612088 380728488 /nfs/dbraw/zinc/72/84/88/380728488.db2.gz WUPXITWKWUJXBW-UHFFFAOYSA-N 0 1 254.355 3.278 20 5 CGBDMN CO[C@@H](CC(C)C)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419245418 380788466 /nfs/dbraw/zinc/78/84/66/380788466.db2.gz VSBSMMXXSDDCFW-INIZCTEOSA-N 0 1 292.379 3.014 20 5 CGBDMN Cc1ccccc1CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356837375 380893535 /nfs/dbraw/zinc/89/35/35/380893535.db2.gz DJUILVUAVPCTRJ-UHFFFAOYSA-N 0 1 296.330 3.069 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)CC[C@H]1C ZINC000362435581 381991244 /nfs/dbraw/zinc/99/12/44/381991244.db2.gz DLYQAAQXYAQMFO-NWDGAFQWSA-N 0 1 278.352 3.224 20 5 CGBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000350350855 219009911 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CCOc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N+](=O)[O-] ZINC000492632972 393764665 /nfs/dbraw/zinc/76/46/65/393764665.db2.gz UIKIOGHNEXNHEK-BETUJISGSA-N 0 1 290.363 3.081 20 5 CGBDMN Cc1ccc(CN2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000534343105 288413491 /nfs/dbraw/zinc/41/34/91/288413491.db2.gz WXEWSVFLCWMXPG-UHFFFAOYSA-N 0 1 292.379 3.293 20 5 CGBDMN CCCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092350 165051128 /nfs/dbraw/zinc/05/11/28/165051128.db2.gz NBQIYGLPIPGCFE-SNVBAGLBSA-N 0 1 290.323 3.048 20 5 CGBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000391190461 262386924 /nfs/dbraw/zinc/38/69/24/262386924.db2.gz VMGROEIPBWONGJ-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000532192728 288354141 /nfs/dbraw/zinc/35/41/41/288354141.db2.gz GPLGFVUYPIVQAV-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1cc(N[C@H]2CCC[C@H]2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000555274693 289337516 /nfs/dbraw/zinc/33/75/16/289337516.db2.gz 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621671354 /nfs/dbraw/zinc/67/13/54/621671354.db2.gz VRNKINCGCJHMNV-ZYHUDNBSSA-N 0 1 286.335 3.105 20 5 CGBDMN O=[N+]([O-])c1ccnn1CN1CCC[C@@H]1CCC1CCCC1 ZINC000767755716 627434452 /nfs/dbraw/zinc/43/44/52/627434452.db2.gz VCNLEKGABSNFNG-CQSZACIVSA-N 0 1 292.383 3.184 20 5 CGBDMN CCCCCC[C@H](C)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769474649 627557788 /nfs/dbraw/zinc/55/77/88/627557788.db2.gz MOKYKPCKASWERO-NSHDSACASA-N 0 1 294.351 3.389 20 5 CGBDMN CCN(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774636845 628010985 /nfs/dbraw/zinc/01/09/85/628010985.db2.gz ZJNPUSQYXJXYCE-UHFFFAOYSA-N 0 1 294.742 3.040 20 5 CGBDMN O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000776592522 628222395 /nfs/dbraw/zinc/22/23/95/628222395.db2.gz PDFVFLDWWUFJBL-IRXDYDNUSA-N 0 1 298.342 3.075 20 5 CGBDMN CCc1ncc(CNCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000865788018 632891148 /nfs/dbraw/zinc/89/11/48/632891148.db2.gz WSOHHAUYSLXEOA-UHFFFAOYSA-N 0 1 291.376 3.212 20 5 CGBDMN CO[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000872041492 633963326 /nfs/dbraw/zinc/96/33/26/633963326.db2.gz TUYNIDVEIGDYTN-ZWNOBZJWSA-N 0 1 298.358 3.446 20 5 CGBDMN CCOC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872066082 633988504 /nfs/dbraw/zinc/98/85/04/633988504.db2.gz JVTIODRXTLTJGV-AAEUAGOBSA-N 0 1 298.358 3.446 20 5 CGBDMN CCC[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872075171 633997843 /nfs/dbraw/zinc/99/78/43/633997843.db2.gz PFQYJCNEDSPIHE-WDEREUQCSA-N 0 1 284.331 3.200 20 5 CGBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000840672156 635035402 /nfs/dbraw/zinc/03/54/02/635035402.db2.gz FHLWNSDKKCQBIV-COLVAYQJSA-N 0 1 285.299 3.109 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844433900 635899016 /nfs/dbraw/zinc/89/90/16/635899016.db2.gz ICVSXVRLEPGSNG-CYBMUJFWSA-N 0 1 282.290 3.216 20 5 CGBDMN CCOc1cc(CN2CCC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880236847 635946945 /nfs/dbraw/zinc/94/69/45/635946945.db2.gz KLGUPFJMLNROBC-CYBMUJFWSA-N 0 1 296.342 3.175 20 5 CGBDMN CC(C)[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885942257 637324298 /nfs/dbraw/zinc/32/42/98/637324298.db2.gz MTGUFGCAFICTKC-OAHLLOKOSA-N 0 1 285.347 3.477 20 5 CGBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000885954352 637329025 /nfs/dbraw/zinc/32/90/25/637329025.db2.gz VPEKVDFIMUJJFT-SNPRPXQTSA-N 0 1 289.379 3.390 20 5 CGBDMN CCC1(C)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885979790 637341903 /nfs/dbraw/zinc/34/19/03/637341903.db2.gz MPVBWQCLKOCJOJ-UHFFFAOYSA-N 0 1 263.341 3.002 20 5 CGBDMN Cc1ccccc1C[C@@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886174509 637449244 /nfs/dbraw/zinc/44/92/44/637449244.db2.gz BYNLLTLEZSSYMX-CQSZACIVSA-N 0 1 299.374 3.361 20 5 CGBDMN Cc1nn(CN2CCCC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000853607496 637872705 /nfs/dbraw/zinc/87/27/05/637872705.db2.gz OIJQIGLDOCQTAD-AWEZNQCLSA-N 0 1 292.383 3.102 20 5 CGBDMN CC(C)(CCc1nc2cc(Cl)c(F)cc2[nH]1)[N+](=O)[O-] ZINC001250593945 805713575 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COc1cc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc([N+](=O)[O-])c1 ZINC000903128951 800594080 /nfs/dbraw/zinc/59/40/80/800594080.db2.gz CFQFYBSXKZQKDZ-GHMZBOCLSA-N 0 1 289.335 3.343 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC001193210170 810864611 /nfs/dbraw/zinc/86/46/11/810864611.db2.gz KQUNTPDYSVWLCC-LBPRGKRZSA-N 0 1 292.379 3.471 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C)C(C)(C)C1 ZINC001193210170 810864616 /nfs/dbraw/zinc/86/46/16/810864616.db2.gz KQUNTPDYSVWLCC-LBPRGKRZSA-N 0 1 292.379 3.471 20 5 CGBDMN O=[N+]([O-])c1ccc(Nc2cc(O)c(Cl)cc2F)cn1 ZINC001203575061 812398015 /nfs/dbraw/zinc/39/80/15/812398015.db2.gz VNRBBCJRCRRVQY-UHFFFAOYSA-N 0 1 283.646 3.232 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)c(Nc2cnns2)c1Cl ZINC001215582014 815542370 /nfs/dbraw/zinc/54/23/70/815542370.db2.gz OOUVKDIWTFORCR-UHFFFAOYSA-N 0 1 291.119 3.497 20 5 CGBDMN Cc1cc(Nc2ccccc2[N+](=O)[O-])n(-c2ccncc2)n1 ZINC001206157846 813218715 /nfs/dbraw/zinc/21/87/15/813218715.db2.gz GDMIMEIWBQDPKX-UHFFFAOYSA-N 0 1 295.302 3.228 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2ccc(Cl)c(CO)c2)ccc1O ZINC001210398042 814444574 /nfs/dbraw/zinc/44/45/74/814444574.db2.gz NYUOWYJKTKEHQL-UHFFFAOYSA-N 0 1 294.694 3.190 20 5 CGBDMN Cc1cc(F)cc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210400100 814445643 /nfs/dbraw/zinc/44/56/43/814445643.db2.gz AIMHSOGYFGDUGK-UHFFFAOYSA-N 0 1 262.240 3.492 20 5 CGBDMN COc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)ccc1C ZINC001210400180 814446235 /nfs/dbraw/zinc/44/62/35/814446235.db2.gz DVIOBIOHVMLTHV-UHFFFAOYSA-N 0 1 274.276 3.361 20 5 CGBDMN CC(=O)Nc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210400155 814446416 /nfs/dbraw/zinc/44/64/16/814446416.db2.gz CRTCEIMWCRQWRP-UHFFFAOYSA-N 0 1 287.275 3.002 20 5 CGBDMN O=c1[nH]ccc2c(Nc3ccc(O)c([N+](=O)[O-])c3)cccc12 ZINC001210401624 814447306 /nfs/dbraw/zinc/44/73/06/814447306.db2.gz VQGBOEPPINCKQO-UHFFFAOYSA-N 0 1 297.270 3.298 20 5 CGBDMN CCCCC[C@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228603927 817951941 /nfs/dbraw/zinc/95/19/41/817951941.db2.gz NMEIJLAVQOZSOU-VIFPVBQESA-N 0 1 295.339 3.315 20 5 CGBDMN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1-c1ccccc1 ZINC001435802815 937268378 /nfs/dbraw/zinc/26/83/78/937268378.db2.gz CLPGHNLUSROASY-HZPDHXFCSA-N 0 1 296.326 3.266 20 5 CGBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001461235028 937571472 /nfs/dbraw/zinc/57/14/72/937571472.db2.gz PJNIBQJTEBFCQQ-HNNXBMFYSA-N 0 1 271.320 3.231 20 5 CGBDMN C[C@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC001308136377 933055079 /nfs/dbraw/zinc/05/50/79/933055079.db2.gz LUGWKZFITBGNJU-QMMMGPOBSA-N 0 1 270.279 3.151 20 5 CGBDMN Cc1c(CN2CCCC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC001308167929 933062868 /nfs/dbraw/zinc/06/28/68/933062868.db2.gz YUCNQYZNKDRYKQ-MRXNPFEDSA-N 0 1 290.363 3.048 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC(c3ccc(F)cc3)C2)cc1 ZINC001325013495 934881359 /nfs/dbraw/zinc/88/13/59/934881359.db2.gz PQTLGGKCFIGIGV-UHFFFAOYSA-N 0 1 286.306 3.333 20 5 CGBDMN Cc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000156170180 346157656 /nfs/dbraw/zinc/15/76/56/346157656.db2.gz VDVGDJDWYMDHHE-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN C[C@H]([N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000593734785 347109039 /nfs/dbraw/zinc/10/90/39/347109039.db2.gz NQHYMZCPWZSNBF-JTQLQIEISA-N 0 1 294.351 3.159 20 5 CGBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC1=CCCC1 ZINC000594990573 347250423 /nfs/dbraw/zinc/25/04/23/347250423.db2.gz SWQULFMYSPJUDF-UHFFFAOYSA-N 0 1 276.336 3.193 20 5 CGBDMN CCc1nc([C@H](C)Sc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000594899765 347224557 /nfs/dbraw/zinc/22/45/57/347224557.db2.gz UAMYZDALAPAOFO-QMMMGPOBSA-N 0 1 278.337 3.129 20 5 CGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCCCCC1 ZINC000595286459 347286583 /nfs/dbraw/zinc/28/65/83/347286583.db2.gz IHJQKHPWJGOTRL-UHFFFAOYSA-N 0 1 252.289 3.110 20 5 CGBDMN COCCC1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597183065 347545934 /nfs/dbraw/zinc/54/59/34/347545934.db2.gz IYQPTAHNCNSHJL-UHFFFAOYSA-N 0 1 292.379 3.187 20 5 CGBDMN C/C=C/C[C@H]1CCCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000599689269 347765884 /nfs/dbraw/zinc/76/58/84/347765884.db2.gz IKUHWKHVKYJUHP-PCAWENJQSA-N 0 1 279.340 3.069 20 5 CGBDMN O=C1[C@H]2CCCCCCC2=NN1c1ccc([N+](=O)[O-])cc1 ZINC000601935193 347925984 /nfs/dbraw/zinc/92/59/84/347925984.db2.gz QRKWVNPYYFKDBX-ZDUSSCGKSA-N 0 1 287.319 3.268 20 5 CGBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)CCCCCC2 ZINC000601935193 347925986 /nfs/dbraw/zinc/92/59/86/347925986.db2.gz QRKWVNPYYFKDBX-ZDUSSCGKSA-N 0 1 287.319 3.268 20 5 CGBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])[C@@H](C)C(F)(F)F ZINC000602989483 348051970 /nfs/dbraw/zinc/05/19/70/348051970.db2.gz QJPDZOQAFDLARG-QMMMGPOBSA-N 0 1 292.257 3.073 20 5 CGBDMN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CN1C1CC1 ZINC000122263076 187023321 /nfs/dbraw/zinc/02/33/21/187023321.db2.gz IYFAUUMZQMYZDX-UWVGGRQHSA-N 0 1 295.770 3.285 20 5 CGBDMN C[C@@H]1CC[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123069350 187069460 /nfs/dbraw/zinc/06/94/60/187069460.db2.gz SARCWKWWEDTSOZ-AOOOYVTPSA-N 0 1 252.289 3.107 20 5 CGBDMN Cc1cnc(CCN(C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000157710407 188334146 /nfs/dbraw/zinc/33/41/46/188334146.db2.gz JPNKEBJITHCBDV-UHFFFAOYSA-N 0 1 291.376 3.034 20 5 CGBDMN Cc1ccc(CN2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292704543 198383144 /nfs/dbraw/zinc/38/31/44/198383144.db2.gz CSQLTZYKZCGCRG-UONOGXRCSA-N 0 1 296.317 3.380 20 5 CGBDMN COc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000037680317 369099030 /nfs/dbraw/zinc/09/90/30/369099030.db2.gz JGKANYAUUPEYTD-GFCCVEGCSA-N 0 1 286.331 3.454 20 5 CGBDMN Cc1occc1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000055055244 369509330 /nfs/dbraw/zinc/50/93/30/369509330.db2.gz VKQKVKMCIQOEAG-UHFFFAOYSA-N 0 1 290.319 3.007 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCSC(C)(C)C1 ZINC000434908380 372718496 /nfs/dbraw/zinc/71/84/96/372718496.db2.gz ADKLCLATERLTQX-LLVKDONJSA-N 0 1 280.393 3.483 20 5 CGBDMN C[C@@H](NCc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353593333 220178882 /nfs/dbraw/zinc/17/88/82/220178882.db2.gz CZDLHLUERSHRRU-LLVKDONJSA-N 0 1 296.330 3.322 20 5 CGBDMN CC(C)N(Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000180448515 374008860 /nfs/dbraw/zinc/00/88/60/374008860.db2.gz NNRUJADHIWDDQJ-UHFFFAOYSA-N 0 1 254.305 3.353 20 5 CGBDMN Cc1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)on1 ZINC000181474996 374128047 /nfs/dbraw/zinc/12/80/47/374128047.db2.gz HVWNYANEXRUBIV-UHFFFAOYSA-N 0 1 298.302 3.360 20 5 CGBDMN CC[C@@H](C)CN(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184212890 374504704 /nfs/dbraw/zinc/50/47/04/374504704.db2.gz ZHGMSMZIZBYQLR-SNVBAGLBSA-N 0 1 284.331 3.220 20 5 CGBDMN CC[C@@H]1CC[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467500 374535422 /nfs/dbraw/zinc/53/54/22/374535422.db2.gz KBKILMDFQBTVHA-WDEREUQCSA-N 0 1 288.351 3.234 20 5 CGBDMN COCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487976525 375290379 /nfs/dbraw/zinc/29/03/79/375290379.db2.gz ULRNGSUXNUEIGS-WCQYABFASA-N 0 1 298.408 3.293 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190849185 375543495 /nfs/dbraw/zinc/54/34/95/375543495.db2.gz KBWRRWIKTAWYGD-NSHDSACASA-N 0 1 280.393 3.088 20 5 CGBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC=C(C)C ZINC000191632364 375645937 /nfs/dbraw/zinc/64/59/37/375645937.db2.gz QQTHDPIAICYMDZ-UHFFFAOYSA-N 0 1 264.325 3.049 20 5 CGBDMN CC[C@H](N[C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000192934009 375805465 /nfs/dbraw/zinc/80/54/65/375805465.db2.gz HEQZMCMCYAAORO-RISCZKNCSA-N 0 1 288.351 3.130 20 5 CGBDMN CC(C)n1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000226241488 376343924 /nfs/dbraw/zinc/34/39/24/376343924.db2.gz XJVHBKXJHKBXQO-LBPRGKRZSA-N 0 1 288.351 3.223 20 5 CGBDMN CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339083297 376667464 /nfs/dbraw/zinc/66/74/64/376667464.db2.gz MIRWUVQENXJZJE-GFCCVEGCSA-N 0 1 278.352 3.168 20 5 CGBDMN Cc1cc([C@@H](C)NCc2cc(O)ccc2[N+](=O)[O-])c(C)o1 ZINC000339085286 376670191 /nfs/dbraw/zinc/67/01/91/376670191.db2.gz YESLXDDXMBMECE-SNVBAGLBSA-N 0 1 290.319 3.361 20 5 CGBDMN C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1(C)C ZINC000339088104 376671429 /nfs/dbraw/zinc/67/14/29/376671429.db2.gz NMIGTBSUKDKATD-LLVKDONJSA-N 0 1 278.352 3.168 20 5 CGBDMN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000579655800 378179749 /nfs/dbraw/zinc/17/97/49/378179749.db2.gz IFNWRFJUYTYBNW-AWEZNQCLSA-N 0 1 260.337 3.215 20 5 CGBDMN COc1ccc(CNc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000600858342 378405109 /nfs/dbraw/zinc/40/51/09/378405109.db2.gz ORHYINMPKZUFGJ-UHFFFAOYSA-N 0 1 298.302 3.092 20 5 CGBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000352650377 379893037 /nfs/dbraw/zinc/89/30/37/379893037.db2.gz WGZWUPCIZYHFNC-GQCTYLIASA-N 0 1 272.304 3.333 20 5 CGBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359994208 381402039 /nfs/dbraw/zinc/40/20/39/381402039.db2.gz URTBEMHJZAASBZ-SNVBAGLBSA-N 0 1 268.744 3.480 20 5 CGBDMN COc1ccc(CN2CC[C@@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000546123930 393034332 /nfs/dbraw/zinc/03/43/32/393034332.db2.gz DXUUEQOEPNYFCZ-GFCCVEGCSA-N 0 1 292.379 3.471 20 5 CGBDMN Cc1cc(N[C@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000271286867 393248120 /nfs/dbraw/zinc/24/81/20/393248120.db2.gz DKZKDRANTNQJQH-LBPRGKRZSA-N 0 1 272.308 3.116 20 5 CGBDMN CC[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420948818 393553849 /nfs/dbraw/zinc/55/38/49/393553849.db2.gz FAARRJVDLZBHJV-IYBDPMFKSA-N 0 1 292.379 3.027 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]2CCC[C@@H]21 ZINC000075768906 287028168 /nfs/dbraw/zinc/02/81/68/287028168.db2.gz DCGIKIVUBZWLFA-FZMZJTMJSA-N 0 1 278.327 3.498 20 5 CGBDMN Cc1ccc(CN2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000091964266 165278144 /nfs/dbraw/zinc/27/81/44/165278144.db2.gz AAAUDNKWKGTGAT-OAHLLOKOSA-N 0 1 292.379 3.150 20 5 CGBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000391186609 262387484 /nfs/dbraw/zinc/38/74/84/262387484.db2.gz SVHHSXRBRLFVLF-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000344484561 281160819 /nfs/dbraw/zinc/16/08/19/281160819.db2.gz NQAYOZZVZDAWHZ-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN C[C@H]1CCCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572466594 322339177 /nfs/dbraw/zinc/33/91/77/322339177.db2.gz BDSDVLWIRCGWKU-NSHDSACASA-N 0 1 288.351 3.093 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCC[C@H]1F ZINC000573741494 322404662 /nfs/dbraw/zinc/40/46/62/322404662.db2.gz JCKHJSZDGXWNOR-AGIUHOORSA-N 0 1 264.300 3.062 20 5 CGBDMN C[C@@H]1C[C@H](C)CN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675271 572890244 /nfs/dbraw/zinc/89/02/44/572890244.db2.gz RTKCLJLAWLMCKJ-VHSXEESVSA-N 0 1 268.744 3.479 20 5 CGBDMN C[C@H](N(C)Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000177248249 618810815 /nfs/dbraw/zinc/81/08/15/618810815.db2.gz RYBQHGIJPXTZTA-JTQLQIEISA-N 0 1 266.316 3.354 20 5 CGBDMN CC[C@H](N[C@@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000925231083 620252884 /nfs/dbraw/zinc/25/28/84/620252884.db2.gz RNRYSTTWMOADFE-NHYWBVRUSA-N 0 1 286.335 3.187 20 5 CGBDMN C[C@@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076891 620273090 /nfs/dbraw/zinc/27/30/90/620273090.db2.gz SUOMNUAENHKSAE-NXEZZACHSA-N 0 1 268.744 3.336 20 5 CGBDMN COC(C)(C)[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331822 621706200 /nfs/dbraw/zinc/70/62/00/621706200.db2.gz NZNINONSWCKYFI-NXEZZACHSA-N 0 1 284.331 3.198 20 5 CGBDMN CSCC[C@H](C)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172433380 623249520 /nfs/dbraw/zinc/24/95/20/623249520.db2.gz BEUYFPPARWUEID-JTQLQIEISA-N 0 1 286.372 3.307 20 5 CGBDMN O=[N+]([O-])c1cccc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922584504 626017181 /nfs/dbraw/zinc/01/71/81/626017181.db2.gz ARCJGTJFINOBBA-INIZCTEOSA-N 0 1 283.331 3.231 20 5 CGBDMN CCCN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC000839599259 626764140 /nfs/dbraw/zinc/76/41/40/626764140.db2.gz LOQDFKBRWJJYHZ-RBSFLKMASA-N 0 1 290.363 3.042 20 5 CGBDMN Cc1ccc(F)c([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000764710689 627219509 /nfs/dbraw/zinc/21/95/09/627219509.db2.gz OXCXPJRGPQJUEE-VIFPVBQESA-N 0 1 292.266 3.288 20 5 CGBDMN C[C@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000768195022 627467722 /nfs/dbraw/zinc/46/77/22/627467722.db2.gz IWHMMIZREQCOSQ-LBPRGKRZSA-N 0 1 298.342 3.420 20 5 CGBDMN C[C@H]1C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC000768195022 627467726 /nfs/dbraw/zinc/46/77/26/627467726.db2.gz IWHMMIZREQCOSQ-LBPRGKRZSA-N 0 1 298.342 3.420 20 5 CGBDMN O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000776592516 628222097 /nfs/dbraw/zinc/22/20/97/628222097.db2.gz PDFVFLDWWUFJBL-DLBZAZTESA-N 0 1 298.342 3.075 20 5 CGBDMN Cc1nn(CN2CCC[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120707194 630452731 /nfs/dbraw/zinc/45/27/31/630452731.db2.gz DFQBABYXXSCONI-AWEZNQCLSA-N 0 1 294.399 3.124 20 5 CGBDMN CO[C@H]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391716 632762847 /nfs/dbraw/zinc/76/28/47/632762847.db2.gz PQGVPODLXPSETE-YPMHNXCESA-N 0 1 298.770 3.248 20 5 CGBDMN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000824814441 633294942 /nfs/dbraw/zinc/29/49/42/633294942.db2.gz ADVUPALROZQULO-IINYFYTJSA-N 0 1 298.770 3.105 20 5 CGBDMN C[C@H](NCCc1cscn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043518 633967162 /nfs/dbraw/zinc/96/71/62/633967162.db2.gz IOSORPDQCINVSY-VIFPVBQESA-N 0 1 295.339 3.084 20 5 CGBDMN CC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000872079610 634003156 /nfs/dbraw/zinc/00/31/56/634003156.db2.gz JMAUKXOGDPCNRW-WBIUFABUSA-N 0 1 298.358 3.180 20 5 CGBDMN C[C@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc2ccccc21 ZINC000840672276 635035813 /nfs/dbraw/zinc/03/58/13/635035813.db2.gz HIUPABPEUKAYSA-COLVAYQJSA-N 0 1 285.299 3.109 20 5 CGBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC1(F)F ZINC000840968117 635096281 /nfs/dbraw/zinc/09/62/81/635096281.db2.gz NSRSLXUJNOVZRX-GMSGAONNSA-N 0 1 290.697 3.382 20 5 CGBDMN CCCN[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238483 635624485 /nfs/dbraw/zinc/62/44/85/635624485.db2.gz RVPJBTPXTUJMMJ-JTQLQIEISA-N 0 1 290.323 3.014 20 5 CGBDMN C[C@H](NCCc1ccns1)c1c(F)cccc1[N+](=O)[O-] ZINC000883246499 636615032 /nfs/dbraw/zinc/61/50/32/636615032.db2.gz KHTBNXCMNDPYOK-VIFPVBQESA-N 0 1 295.339 3.084 20 5 CGBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2C=CCC2)c1 ZINC000850358173 637026341 /nfs/dbraw/zinc/02/63/41/637026341.db2.gz JABZQRCMHLCZLR-SNVBAGLBSA-N 0 1 284.262 3.004 20 5 CGBDMN C[C@H](N[C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000886616081 637608432 /nfs/dbraw/zinc/60/84/32/637608432.db2.gz UVFQNKFJXZIYSC-XHDPSFHLSA-N 0 1 283.331 3.328 20 5 CGBDMN CC[C@@H](C)N(CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852291756 637628940 /nfs/dbraw/zinc/62/89/40/637628940.db2.gz YSDHUPLGTVWOBV-SNVBAGLBSA-N 0 1 281.312 3.123 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCO[C@H](C)CC1 ZINC000932346190 639317073 /nfs/dbraw/zinc/31/70/73/639317073.db2.gz HEWCUZGDGRVOKK-CHWSQXEVSA-N 0 1 278.352 3.075 20 5 CGBDMN 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283.331 3.328 20 5 CGBDMN O=[N+]([O-])c1cccc(-c2nc3cc4c(cc3[nH]2)OCC4)c1 ZINC001250951860 805807635 /nfs/dbraw/zinc/80/76/35/805807635.db2.gz ZJZGHUNBENLFRX-UHFFFAOYSA-N 0 1 281.271 3.073 20 5 CGBDMN Cc1ccc2nc(-c3cccc([N+](=O)[O-])c3N)[nH]c2c1 ZINC001250952952 805807802 /nfs/dbraw/zinc/80/78/02/805807802.db2.gz PDJXBDRDRHIANU-UHFFFAOYSA-N 0 1 268.276 3.029 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1-c1nc2ccc(F)cc2[nH]1 ZINC001251579665 805909188 /nfs/dbraw/zinc/90/91/88/805909188.db2.gz OWJSLQXGFRPIRN-UHFFFAOYSA-N 0 1 287.250 3.286 20 5 CGBDMN Cc1[nH]c(-c2nc3ccc(C)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802468 805937713 /nfs/dbraw/zinc/93/77/13/805937713.db2.gz MLXUCKVOKAYGJJ-UHFFFAOYSA-N 0 1 270.292 3.391 20 5 CGBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1nccs1 ZINC001254538097 806446222 /nfs/dbraw/zinc/44/62/22/806446222.db2.gz OSYGNXAVWRSQHO-GHMZBOCLSA-N 0 1 291.376 3.333 20 5 CGBDMN C[C@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000353629388 799330575 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PISZLPBBHKNNLD-CABZTGNLSA-N 0 1 287.319 3.042 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1-n1[nH]c2c(c1=O)C[C@@H](C)CC2 ZINC000601943156 347927326 /nfs/dbraw/zinc/92/73/26/347927326.db2.gz PISZLPBBHKNNLD-CABZTGNLSA-N 0 1 287.319 3.042 20 5 CGBDMN CC[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2F)N=C1C(C)C ZINC000601942960 347927360 /nfs/dbraw/zinc/92/73/60/347927360.db2.gz NUQYAJVNGFUGON-JTQLQIEISA-N 0 1 293.298 3.119 20 5 CGBDMN CCc1c(=O)n(-c2ccc([N+](=O)[O-])cc2F)[nH]c1C(C)C ZINC000601942960 347927362 /nfs/dbraw/zinc/92/73/62/347927362.db2.gz NUQYAJVNGFUGON-JTQLQIEISA-N 0 1 293.298 3.119 20 5 CGBDMN Cc1c(CN2CCC(C)(F)CC2)cccc1[N+](=O)[O-] ZINC000602742546 348022210 /nfs/dbraw/zinc/02/22/10/348022210.db2.gz QDOGMXIZYUQVJJ-UHFFFAOYSA-N 0 1 266.316 3.227 20 5 CGBDMN Cc1ccncc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000271339358 191082370 /nfs/dbraw/zinc/08/23/70/191082370.db2.gz GIYKJXVCWNKIIH-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN CSCC[C@@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000126575846 138386278 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369543845 /nfs/dbraw/zinc/54/38/45/369543845.db2.gz GQCPOUXXSHIJHG-INIZCTEOSA-N 0 1 285.347 3.270 20 5 CGBDMN C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000068828868 369748498 /nfs/dbraw/zinc/74/84/98/369748498.db2.gz DCEKBTYOKZOZII-SNVBAGLBSA-N 0 1 254.355 3.278 20 5 CGBDMN O=[N+]([O-])c1cccc(CN(CCOC2CCC2)C2CC2)c1 ZINC000287634453 371687420 /nfs/dbraw/zinc/68/74/20/371687420.db2.gz FWJIVQABUYLKMG-UHFFFAOYSA-N 0 1 290.363 3.128 20 5 CGBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421886028 371698003 /nfs/dbraw/zinc/69/80/03/371698003.db2.gz RTWZWRUTHIFDOJ-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CCCC1 ZINC000444829003 373280882 /nfs/dbraw/zinc/28/08/82/373280882.db2.gz PUOFMVUFIDOVTN-UHFFFAOYSA-N 0 1 283.759 3.064 20 5 CGBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000444826847 373280952 /nfs/dbraw/zinc/28/09/52/373280952.db2.gz IQHIYDZTNZRDMW-MNOVXSKESA-N 0 1 297.786 3.451 20 5 CGBDMN CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449505086 373805401 /nfs/dbraw/zinc/80/54/01/373805401.db2.gz QWFWNDYDAYGCQW-HZMBPMFUSA-N 0 1 298.770 3.105 20 5 CGBDMN Cc1cccc(NC[C@H](c2ccco2)N(C)C)c1[N+](=O)[O-] ZINC000302500482 373881167 /nfs/dbraw/zinc/88/11/67/373881167.db2.gz OJLFKOMKMOJRNT-CYBMUJFWSA-N 0 1 289.335 3.211 20 5 CGBDMN CC[C@H](CSC)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000180691159 374036766 /nfs/dbraw/zinc/03/67/66/374036766.db2.gz YPSNEFLRLSGEMX-GFCCVEGCSA-N 0 1 298.408 3.177 20 5 CGBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000310715415 374221964 /nfs/dbraw/zinc/22/19/64/374221964.db2.gz WFGZSIWWZUDCIB-UHFFFAOYSA-N 0 1 262.334 3.255 20 5 CGBDMN COc1cc(CN(CC(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184243130 374508250 /nfs/dbraw/zinc/50/82/50/374508250.db2.gz IJJOTCYQNZUZDI-UHFFFAOYSA-N 0 1 296.342 3.363 20 5 CGBDMN CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332218463 374560967 /nfs/dbraw/zinc/56/09/67/374560967.db2.gz IKPYWSRBPJTDBF-NSHDSACASA-N 0 1 288.351 3.093 20 5 CGBDMN C[C@@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000464832035 374907658 /nfs/dbraw/zinc/90/76/58/374907658.db2.gz LFZVTVLCBSONGS-NXEZZACHSA-N 0 1 268.744 3.336 20 5 CGBDMN CN(Cc1ccc2nc[nH]c2c1)Cc1ccccc1[N+](=O)[O-] ZINC000534337063 375978223 /nfs/dbraw/zinc/97/82/23/375978223.db2.gz RLOAYIGKHDQQBG-UHFFFAOYSA-N 0 1 296.330 3.103 20 5 CGBDMN Cc1ccc([C@H](C)NCc2ccncc2C)cc1[N+](=O)[O-] ZINC000229657583 376467313 /nfs/dbraw/zinc/46/73/13/376467313.db2.gz RJOSPKSPHFJVMF-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CC1(C)CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000231043204 376553582 /nfs/dbraw/zinc/55/35/82/376553582.db2.gz FXRMXZHIBPFJOX-UHFFFAOYSA-N 0 1 298.383 3.451 20 5 CGBDMN CO[C@@H]1C[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000234826224 376620332 /nfs/dbraw/zinc/62/03/32/376620332.db2.gz PARUQISTZPKCMO-QWHCGFSZSA-N 0 1 298.770 3.151 20 5 CGBDMN C[C@@H]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860168 376684714 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CCC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278214604 379319447 /nfs/dbraw/zinc/31/94/47/379319447.db2.gz KOBUDDYWZLMTAL-JTQLQIEISA-N 0 1 281.312 3.123 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](C)C1 ZINC000347585382 218281562 /nfs/dbraw/zinc/28/15/62/218281562.db2.gz UEWKONNRLGMQGT-RYUDHWBXSA-N 0 1 278.352 3.081 20 5 CGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@H]1CCCCO1 ZINC000266680354 190274787 /nfs/dbraw/zinc/27/47/87/190274787.db2.gz AFTUPMIWWCEGOM-STQMWFEESA-N 0 1 278.352 3.157 20 5 CGBDMN C[C@@H]1CCC(C)(C)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000452007485 296301886 /nfs/dbraw/zinc/30/18/86/296301886.db2.gz NIOKQDXQXYPYFH-SNVBAGLBSA-N 0 1 264.325 3.063 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CCC=C(c3ccco3)C2)c1 ZINC000352549629 379854167 /nfs/dbraw/zinc/85/41/67/379854167.db2.gz DXPKBVVBIZQDDT-UHFFFAOYSA-N 0 1 284.315 3.477 20 5 CGBDMN CCC(C)(C)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104619 380125933 /nfs/dbraw/zinc/12/59/33/380125933.db2.gz MSDDYCBJWRJUJU-UHFFFAOYSA-N 0 1 281.312 3.123 20 5 CGBDMN C[C@@H]1CCSCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286196989 380174362 /nfs/dbraw/zinc/17/43/62/380174362.db2.gz PVSTZJXSMRDIJE-SNVBAGLBSA-N 0 1 284.356 3.061 20 5 CGBDMN C[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000350285760 219004678 /nfs/dbraw/zinc/00/46/78/219004678.db2.gz JEGLUJMZCUMSQK-JTQLQIEISA-N 0 1 266.316 3.354 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450488630 285142176 /nfs/dbraw/zinc/14/21/76/285142176.db2.gz VSQQLHWDPFKTNQ-LLVKDONJSA-N 0 1 296.317 3.388 20 5 CGBDMN C[C@@H]1CC[C@@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442292 392415999 /nfs/dbraw/zinc/41/59/99/392415999.db2.gz WDCXUUOXTCEXAU-GHMZBOCLSA-N 0 1 266.316 3.354 20 5 CGBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccccc1F ZINC000511091493 392826998 /nfs/dbraw/zinc/82/69/98/392826998.db2.gz LVGFPUCZRJJWHZ-UHFFFAOYSA-N 0 1 288.322 3.408 20 5 CGBDMN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821014 393061171 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ZINC000037668384 173609786 /nfs/dbraw/zinc/60/97/86/173609786.db2.gz CZRLQHVUZAXEJN-HNNXBMFYSA-N 0 1 284.315 3.078 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040718142 174385047 /nfs/dbraw/zinc/38/50/47/174385047.db2.gz HECCVSBDPULBKR-SECBINFHSA-N 0 1 254.717 3.090 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CCC(OC2CCC2)CC1 ZINC000418099986 228048734 /nfs/dbraw/zinc/04/87/34/228048734.db2.gz QNXYJZDWMJQIRD-UHFFFAOYSA-N 0 1 290.363 3.128 20 5 CGBDMN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCc3cn[nH]c32)c1 ZINC000268825443 281015297 /nfs/dbraw/zinc/01/52/97/281015297.db2.gz LEIQYVJEHDRZKE-NSHDSACASA-N 0 1 272.308 3.116 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCS[C@H](C)C1 ZINC000182746353 281021467 /nfs/dbraw/zinc/02/14/67/281021467.db2.gz ZGOOQVKMTWNFRF-NEPJUHHUSA-N 0 1 280.393 3.402 20 5 CGBDMN C[C@@H]1CC[C@@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872752 572694600 /nfs/dbraw/zinc/69/46/00/572694600.db2.gz BTHPDWFDWBHLGL-GHMZBOCLSA-N 0 1 266.316 3.354 20 5 CGBDMN 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CC1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000789339839 629125555 /nfs/dbraw/zinc/12/55/55/629125555.db2.gz IJHSZCOEAREFKG-UHFFFAOYSA-N 0 1 298.383 3.451 20 5 CGBDMN CC(C)(C)c1ccc([C@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791052854 629252952 /nfs/dbraw/zinc/25/29/52/629252952.db2.gz GDGFJQBUHVTDIM-OAHLLOKOSA-N 0 1 276.380 3.398 20 5 CGBDMN C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000792867206 629389202 /nfs/dbraw/zinc/38/92/02/629389202.db2.gz MKVLDXRHAHRRPW-MNOVXSKESA-N 0 1 293.323 3.123 20 5 CGBDMN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000792872864 629390016 /nfs/dbraw/zinc/39/00/16/629390016.db2.gz QEEJNGQLEDGMSU-JTQLQIEISA-N 0 1 293.323 3.123 20 5 CGBDMN O=[N+]([O-])c1ccccc1-c1cnn(CN(C2CC2)C2CC2)c1 ZINC000863303679 629529049 /nfs/dbraw/zinc/52/90/49/629529049.db2.gz YHZNPBCIQGECMD-UHFFFAOYSA-N 0 1 298.346 3.043 20 5 CGBDMN C[C@H](NCCc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029519 633948111 /nfs/dbraw/zinc/94/81/11/633948111.db2.gz 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ZINC000886122465 637424725 /nfs/dbraw/zinc/42/47/25/637424725.db2.gz BJOJBKNJAMLORM-SWLSCSKDSA-N 0 1 275.352 3.002 20 5 CGBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1cc(C2CC2)no1 ZINC000886271978 637476246 /nfs/dbraw/zinc/47/62/46/637476246.db2.gz CECFFSOMIQXAHD-HWKANZROSA-N 0 1 299.330 3.263 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](C2CCC2)C1 ZINC000886285598 637484432 /nfs/dbraw/zinc/48/44/32/637484432.db2.gz NHHHGOMRCOKNEC-ZDUSSCGKSA-N 0 1 275.352 3.002 20 5 CGBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000852519325 637672789 /nfs/dbraw/zinc/67/27/89/637672789.db2.gz YSHJYOUUNGCUSN-UHFFFAOYSA-N 0 1 296.754 3.027 20 5 CGBDMN C[C@@H](NCC[N+](=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000931756203 639201240 /nfs/dbraw/zinc/20/12/40/639201240.db2.gz OTAFMEBKOFYYCJ-MRVPVSSYSA-N 0 1 294.298 3.226 20 5 CGBDMN CC(C)(CCc1nc2cc(F)cc(Cl)c2[nH]1)[N+](=O)[O-] ZINC001250593906 805714250 /nfs/dbraw/zinc/71/42/50/805714250.db2.gz NNVIGINHQYCFEL-UHFFFAOYSA-N 0 1 285.706 3.343 20 5 CGBDMN CSc1ccc2nc(-c3cc([N+](=O)[O-])ccn3)[nH]c2c1 ZINC001251714036 805923478 /nfs/dbraw/zinc/92/34/78/805923478.db2.gz DPNXVZWJYULGOP-UHFFFAOYSA-N 0 1 286.316 3.255 20 5 CGBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1cscn1 ZINC001254534718 806444311 /nfs/dbraw/zinc/44/43/11/806444311.db2.gz BXFBINFKGXFTQG-MNOVXSKESA-N 0 1 291.376 3.333 20 5 CGBDMN Cc1ncc([N+](=O)[O-])cc1Nc1ccc(F)c(F)c1O ZINC001249547012 805172780 /nfs/dbraw/zinc/17/27/80/805172780.db2.gz NWAYZCGSUDQHCP-UHFFFAOYSA-N 0 1 281.218 3.026 20 5 CGBDMN O=[N+]([O-])c1ccc(F)c(Nc2c(O)cc(F)cc2F)c1 ZINC001175736591 809523483 /nfs/dbraw/zinc/52/34/83/809523483.db2.gz BOTUYGJANWBWCT-UHFFFAOYSA-N 0 1 284.193 3.461 20 5 CGBDMN C[C@@H](OC1CCN(CCF)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223433295 816630226 /nfs/dbraw/zinc/63/02/26/816630226.db2.gz YRHMKPFOBMABRT-GFCCVEGCSA-N 0 1 296.342 3.106 20 5 CGBDMN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761753 817456936 /nfs/dbraw/zinc/45/69/36/817456936.db2.gz DYBVFDUSEQDRTM-LLVKDONJSA-N 0 1 284.743 3.111 20 5 CGBDMN CC(C)N1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810761 817472093 /nfs/dbraw/zinc/47/20/93/817472093.db2.gz SGBGOVVNEYBLJA-LLVKDONJSA-N 0 1 284.743 3.110 20 5 CGBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)c2ccccc2C)n1 ZINC001231258617 818065692 /nfs/dbraw/zinc/06/56/92/818065692.db2.gz BDMMFVNNPXDIGG-LLVKDONJSA-N 0 1 288.303 3.452 20 5 CGBDMN CCCCC[C@@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229383341 932142437 /nfs/dbraw/zinc/14/24/37/932142437.db2.gz ZSUPDMCSJXJYOM-SNVBAGLBSA-N 0 1 283.328 3.137 20 5 CGBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC001308775126 933173622 /nfs/dbraw/zinc/17/36/22/933173622.db2.gz MEJYNDSQQIVVDM-UHFFFAOYSA-N 0 1 291.738 3.241 20 5 CGBDMN C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001559929713 938239233 /nfs/dbraw/zinc/23/92/33/938239233.db2.gz QTLQZPYTRYSKBG-GHMZBOCLSA-N 0 1 266.316 3.354 20 5 CGBDMN CC1(CNCc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001560364377 938255486 /nfs/dbraw/zinc/25/54/86/938255486.db2.gz DOXXDLXKFSWAHU-UHFFFAOYSA-N 0 1 299.168 3.247 20 5 CGBDMN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000593331410 347063800 /nfs/dbraw/zinc/06/38/00/347063800.db2.gz JDPRSGGLHSVHLC-ZDUSSCGKSA-N 0 1 294.351 3.013 20 5 CGBDMN Cc1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000046055539 345033498 /nfs/dbraw/zinc/03/34/98/345033498.db2.gz SYNCZXSIFYAUSY-UHFFFAOYSA-N 0 1 290.319 3.007 20 5 CGBDMN CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000051471023 345090627 /nfs/dbraw/zinc/09/06/27/345090627.db2.gz BYEDGQKGGCUCNM-UHFFFAOYSA-N 0 1 292.360 3.167 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)N(C)C ZINC000080532777 345678149 /nfs/dbraw/zinc/67/81/49/345678149.db2.gz UXFPTZWYXYMQHO-AWEZNQCLSA-N 0 1 289.335 3.211 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000092709533 345854032 /nfs/dbraw/zinc/85/40/32/345854032.db2.gz UKLFZRLHVGBXCR-FZMZJTMJSA-N 0 1 276.336 3.065 20 5 CGBDMN CCC(CC)[N@@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339206591 215012578 /nfs/dbraw/zinc/01/25/78/215012578.db2.gz WPOVGBIURMPESL-UHFFFAOYSA-N 0 1 266.341 3.311 20 5 CGBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594025967 347139113 /nfs/dbraw/zinc/13/91/13/347139113.db2.gz CDBDGYHTWZQBSO-INIZCTEOSA-N 0 1 290.363 3.128 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594025967 347139119 /nfs/dbraw/zinc/13/91/19/347139119.db2.gz CDBDGYHTWZQBSO-INIZCTEOSA-N 0 1 290.363 3.128 20 5 CGBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594025968 347139391 /nfs/dbraw/zinc/13/93/91/347139391.db2.gz CDBDGYHTWZQBSO-MRXNPFEDSA-N 0 1 290.363 3.128 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594025968 347139396 /nfs/dbraw/zinc/13/93/96/347139396.db2.gz CDBDGYHTWZQBSO-MRXNPFEDSA-N 0 1 290.363 3.128 20 5 CGBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000594523921 347189809 /nfs/dbraw/zinc/18/98/09/347189809.db2.gz VNYCAIPTUXQGAP-LBPRGKRZSA-N 0 1 296.392 3.238 20 5 CGBDMN C[C@@H]1CCC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984478 347249399 /nfs/dbraw/zinc/24/93/99/347249399.db2.gz IPENWZROSUONTF-ZWNOBZJWSA-N 0 1 298.770 3.295 20 5 CGBDMN CCC1CCC(N(C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595342352 347294816 /nfs/dbraw/zinc/29/48/16/347294816.db2.gz BNRXPTINFUGBQE-UHFFFAOYSA-N 0 1 281.356 3.292 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595454948 347305798 /nfs/dbraw/zinc/30/57/98/347305798.db2.gz PBCPXAGYDLMHBM-SNVBAGLBSA-N 0 1 284.356 3.061 20 5 CGBDMN C[C@@H]1CC(C)(C)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595541757 347317239 /nfs/dbraw/zinc/31/72/39/347317239.db2.gz CITYMYXNSZUTKQ-SNVBAGLBSA-N 0 1 266.316 3.354 20 5 CGBDMN CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000595565176 347320318 /nfs/dbraw/zinc/32/03/18/347320318.db2.gz CEFFRBWPOQIRPH-WFASDCNBSA-N 0 1 290.363 3.368 20 5 CGBDMN Cc1cc(N2CC[C@H]3C[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596509243 347470768 /nfs/dbraw/zinc/47/07/68/347470768.db2.gz HOBYSMQUPYTPKV-RYUDHWBXSA-N 0 1 283.331 3.298 20 5 CGBDMN CC(C)[C@@H]1CCCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351845551 219224447 /nfs/dbraw/zinc/22/44/47/219224447.db2.gz TZKSFSSFRPVNFI-AWEZNQCLSA-N 0 1 284.306 3.493 20 5 CGBDMN CCCCc1[nH]n(-c2cccc([N+](=O)[O-])c2)c(=O)c1C ZINC000601931969 347925207 /nfs/dbraw/zinc/92/52/07/347925207.db2.gz JWJJVNIJGBXKDQ-SNVBAGLBSA-N 0 1 275.308 3.124 20 5 CGBDMN Cc1cnc(CNCCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602558469 347981544 /nfs/dbraw/zinc/98/15/44/347981544.db2.gz AVVBSTGEDHTMDE-UHFFFAOYSA-N 0 1 289.335 3.004 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCOC(C)(C)C ZINC000610859745 348406944 /nfs/dbraw/zinc/40/69/44/348406944.db2.gz KVGWYZRJFRZKMT-GFCCVEGCSA-N 0 1 280.368 3.403 20 5 CGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)F)C1 ZINC000611180547 348427018 /nfs/dbraw/zinc/42/70/18/348427018.db2.gz ZEQQMEYLPLZGFA-UWVGGRQHSA-N 0 1 270.279 3.243 20 5 CGBDMN C[C@H](NCc1[nH]nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000611377050 348442190 /nfs/dbraw/zinc/44/21/90/348442190.db2.gz FKYHEIWONLPHCL-NSHDSACASA-N 0 1 296.330 3.322 20 5 CGBDMN Cc1c([C@H](C)N[C@@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000358368969 233118485 /nfs/dbraw/zinc/11/84/85/233118485.db2.gz OGABJJPZCMQJPB-QWRGUYRKSA-N 0 1 274.324 3.038 20 5 CGBDMN CC(C)(NCc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000291701669 198063579 /nfs/dbraw/zinc/06/35/79/198063579.db2.gz KFKLLUMOQJXRGL-UHFFFAOYSA-N 0 1 271.320 3.015 20 5 CGBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000153057914 188062651 /nfs/dbraw/zinc/06/26/51/188062651.db2.gz IUCDHKJIPFTJDO-UHFFFAOYSA-N 0 1 287.319 3.092 20 5 CGBDMN C[C@@H]1CCC[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000342329268 216313425 /nfs/dbraw/zinc/31/34/25/216313425.db2.gz HTFCRTALXFPPFT-PHIMTYICSA-N 0 1 266.316 3.497 20 5 CGBDMN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1O ZINC000033816373 368968299 /nfs/dbraw/zinc/96/82/99/368968299.db2.gz HLZPLVNURAKIGI-UHFFFAOYSA-N 0 1 292.678 3.206 20 5 CGBDMN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCCc2cn[nH]c21 ZINC000276263073 193262802 /nfs/dbraw/zinc/26/28/02/193262802.db2.gz SVLHMXRAYZMUER-LLVKDONJSA-N 0 1 292.726 3.461 20 5 CGBDMN CC(C)(C)OC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118967594 370632699 /nfs/dbraw/zinc/63/26/99/370632699.db2.gz CVOVTWYMSMNDEX-UHFFFAOYSA-N 0 1 292.379 3.374 20 5 CGBDMN C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289790975 371822295 /nfs/dbraw/zinc/82/22/95/371822295.db2.gz MIMSOWJVTCGULO-JTQLQIEISA-N 0 1 270.279 3.072 20 5 CGBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289790975 371822300 /nfs/dbraw/zinc/82/23/00/371822300.db2.gz MIMSOWJVTCGULO-JTQLQIEISA-N 0 1 270.279 3.072 20 5 CGBDMN Cc1c([C@@H](C)N[C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000163887305 372498942 /nfs/dbraw/zinc/49/89/42/372498942.db2.gz SFQNKVNTRJPBHS-NWDGAFQWSA-N 0 1 288.351 3.049 20 5 CGBDMN C[C@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000432321983 372558460 /nfs/dbraw/zinc/55/84/60/372558460.db2.gz JQKIRIVSPAAMEI-UWVGGRQHSA-N 0 1 295.770 3.285 20 5 CGBDMN CC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000174364939 373301339 /nfs/dbraw/zinc/30/13/39/373301339.db2.gz QPPOPXVEDSFSQW-FZMZJTMJSA-N 0 1 280.393 3.483 20 5 CGBDMN C[C@@]12CCN(Cc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298417180 373321746 /nfs/dbraw/zinc/32/17/46/373321746.db2.gz XLIVDYQXMZOLRA-QWHCGFSZSA-N 0 1 282.290 3.072 20 5 CGBDMN Cc1cncc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539055077 288600736 /nfs/dbraw/zinc/60/07/36/288600736.db2.gz WAAOFDMSUXJZGY-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN CCOC[C@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176335666 373583057 /nfs/dbraw/zinc/58/30/57/373583057.db2.gz BNPQOZRSZSLGJM-NSHDSACASA-N 0 1 298.770 3.107 20 5 CGBDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000301168790 373681289 /nfs/dbraw/zinc/68/12/89/373681289.db2.gz CXSFQNGUABLFLB-NSHDSACASA-N 0 1 293.342 3.163 20 5 CGBDMN O=[N+]([O-])c1ccccc1/C=C\CNCc1cnc(C2CC2)o1 ZINC000449695030 373844410 /nfs/dbraw/zinc/84/44/10/373844410.db2.gz DHKICZQVVANJMN-HYXAFXHYSA-N 0 1 299.330 3.263 20 5 CGBDMN CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C(C1CC1)C1CC1 ZINC000509260264 375777959 /nfs/dbraw/zinc/77/79/59/375777959.db2.gz NCYJOPOHRMSFIO-UHFFFAOYSA-N 0 1 296.317 3.493 20 5 CGBDMN C[C@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812203 375965333 /nfs/dbraw/zinc/96/53/33/375965333.db2.gz QMPRFXAYVANWHM-QWRGUYRKSA-N 0 1 266.316 3.354 20 5 CGBDMN C=Cn1cc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194354821 375989784 /nfs/dbraw/zinc/98/97/84/375989784.db2.gz JAQHSBYCVKWPBA-HNNXBMFYSA-N 0 1 286.335 3.133 20 5 CGBDMN C[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC12CCC2 ZINC000339064740 376656116 /nfs/dbraw/zinc/65/61/16/376656116.db2.gz UHXYPFLGAZJBAZ-GFCCVEGCSA-N 0 1 290.363 3.313 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC2(CCC2)C1 ZINC000339139623 376703852 /nfs/dbraw/zinc/70/38/52/376703852.db2.gz HFZSQHQZOFRRKC-UHFFFAOYSA-N 0 1 276.336 3.067 20 5 CGBDMN C[C@@H]1SCCN(C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000255002841 377723146 /nfs/dbraw/zinc/72/31/46/377723146.db2.gz MUANCIBOSZIRRM-REPZICSESA-N 0 1 292.404 3.434 20 5 CGBDMN O=[N+]([O-])c1ccccc1NCCc1ccc2cn[nH]c2c1 ZINC000343060910 377891855 /nfs/dbraw/zinc/89/18/55/377891855.db2.gz KVMJPMHGDDDSGX-UHFFFAOYSA-N 0 1 282.303 3.126 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278672098 194094858 /nfs/dbraw/zinc/09/48/58/194094858.db2.gz IISQRBSCVJNFCU-NSHDSACASA-N 0 1 288.269 3.369 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CCC(c2ccccn2)CC1 ZINC000371323073 379139391 /nfs/dbraw/zinc/13/93/91/379139391.db2.gz KSMARYDKYJXLSN-UHFFFAOYSA-N 0 1 297.358 3.369 20 5 CGBDMN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccon1 ZINC000349832943 379411829 /nfs/dbraw/zinc/41/18/29/379411829.db2.gz KLUCLKIXAPAMIX-RYUDHWBXSA-N 0 1 289.335 3.255 20 5 CGBDMN Cc1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000352644835 379888366 /nfs/dbraw/zinc/88/83/66/379888366.db2.gz 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Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000062051195 397637674 /nfs/dbraw/zinc/63/76/74/397637674.db2.gz FCAMSDPTSFCBHX-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCc2cc(F)cc(F)c2)cc1 ZINC000073649852 165078293 /nfs/dbraw/zinc/07/82/93/165078293.db2.gz XIOWGGBCULNCBE-UHFFFAOYSA-N 0 1 278.258 3.163 20 5 CGBDMN C[C@@H](N[C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020123941 171005354 /nfs/dbraw/zinc/00/53/54/171005354.db2.gz IYRYVFLHNBWFTO-VXGBXAGGSA-N 0 1 271.320 3.402 20 5 CGBDMN Cc1ncc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000569118271 322235524 /nfs/dbraw/zinc/23/55/24/322235524.db2.gz PIGULLXCJKYXRR-ZDUSSCGKSA-N 0 1 289.360 3.137 20 5 CGBDMN C[C@@H]([N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000570122936 322265544 /nfs/dbraw/zinc/26/55/44/322265544.db2.gz XVDPAZXMMQCMJU-SNVBAGLBSA-N 0 1 290.367 3.338 20 5 CGBDMN Cc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000581926214 336169650 /nfs/dbraw/zinc/16/96/50/336169650.db2.gz 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O=[N+]([O-])c1ccc(CN[C@]23CCC[C@H]2OCC3)c(Cl)c1 ZINC000865859183 632923037 /nfs/dbraw/zinc/92/30/37/632923037.db2.gz PMNGKBRCOZRVGP-KGLIPLIRSA-N 0 1 296.754 3.049 20 5 CGBDMN CC1(C)CC[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C1 ZINC000871947916 633923309 /nfs/dbraw/zinc/92/33/09/633923309.db2.gz GQYOTXJPNFZLNV-LBPRGKRZSA-N 0 1 287.319 3.124 20 5 CGBDMN CC1(C)CCc2c([nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)C1 ZINC000871947916 633923312 /nfs/dbraw/zinc/92/33/12/633923312.db2.gz GQYOTXJPNFZLNV-LBPRGKRZSA-N 0 1 287.319 3.124 20 5 CGBDMN C[C@H](NCCc1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019409 633939595 /nfs/dbraw/zinc/93/95/95/633939595.db2.gz WLXDJCDPOVDJGZ-JTQLQIEISA-N 0 1 278.283 3.220 20 5 CGBDMN C[C@@H](NC[C@@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040841 633961679 /nfs/dbraw/zinc/96/16/79/633961679.db2.gz CRJVNDBHKPDTII-ZJUUUORDSA-N 0 1 284.356 3.280 20 5 CGBDMN CCOC(C)(C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064731 633987625 /nfs/dbraw/zinc/98/76/25/633987625.db2.gz LCJZKOIAYLUFPL-JTQLQIEISA-N 0 1 284.331 3.200 20 5 CGBDMN C[C@H](NCCCOC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872069420 633991076 /nfs/dbraw/zinc/99/10/76/633991076.db2.gz OCMWRHQRPMXNHF-QMMMGPOBSA-N 0 1 292.257 3.014 20 5 CGBDMN CCO[C@@H]1CCC[C@H]1N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077215 634000510 /nfs/dbraw/zinc/00/05/10/634000510.db2.gz CQSGBCCKKRVYBR-ZKYQVNSYSA-N 0 1 296.342 3.342 20 5 CGBDMN CC[C@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000872079607 634002988 /nfs/dbraw/zinc/00/29/88/634002988.db2.gz JMAUKXOGDPCNRW-ITDIGPHOSA-N 0 1 298.358 3.180 20 5 CGBDMN C[C@H](N[C@H]1CCS[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081304 634005085 /nfs/dbraw/zinc/00/50/85/634005085.db2.gz GHBVXBXQYSUZGY-NGZCFLSTSA-N 0 1 284.356 3.279 20 5 CGBDMN Cc1cccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873017191 634232048 /nfs/dbraw/zinc/23/20/48/634232048.db2.gz WXZGSTIBPWCHQX-UHFFFAOYSA-N 0 1 285.347 3.205 20 5 CGBDMN CCC(C)(CC)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837640423 634955377 /nfs/dbraw/zinc/95/53/77/634955377.db2.gz OTBQGZMMKJUMTG-UHFFFAOYSA-N 0 1 281.308 3.170 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1c1ccccc1 ZINC000885929511 637315915 /nfs/dbraw/zinc/31/59/15/637315915.db2.gz REEGKAPAUKIGSI-OAHLLOKOSA-N 0 1 283.331 3.327 20 5 CGBDMN Cc1ccc(C[C@H](C)N(C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886017058 637366139 /nfs/dbraw/zinc/36/61/39/637366139.db2.gz RDOXELXHGMQJEH-AWEZNQCLSA-N 0 1 299.374 3.361 20 5 CGBDMN Cc1nc(-c2ccc([C@H](C)NCC[N+](=O)[O-])cc2)cs1 ZINC000930205175 638983091 /nfs/dbraw/zinc/98/30/91/638983091.db2.gz RJHLJTMBABQTBV-JTQLQIEISA-N 0 1 291.376 3.046 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCCSC[C@H]2C2CC2)cs1 ZINC000933916563 639505631 /nfs/dbraw/zinc/50/56/31/639505631.db2.gz SOJBSBPOOKZOOH-LBPRGKRZSA-N 0 1 298.433 3.374 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCCSC[C@@H]2C2CC2)cs1 ZINC000933916561 639507055 /nfs/dbraw/zinc/50/70/55/639507055.db2.gz SOJBSBPOOKZOOH-GFCCVEGCSA-N 0 1 298.433 3.374 20 5 CGBDMN CCCCOCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439990 640606613 /nfs/dbraw/zinc/60/66/13/640606613.db2.gz IIBRDBLQYSYOLO-UHFFFAOYSA-N 0 1 286.759 3.155 20 5 CGBDMN O=[N+]([O-])c1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)o1 ZINC001250670046 805753800 /nfs/dbraw/zinc/75/38/00/805753800.db2.gz XVHXJDQWTLASSO-UHFFFAOYSA-N 0 1 298.302 3.331 20 5 CGBDMN Cc1cc2nc(-c3ccncc3[N+](=O)[O-])[nH]c2cc1Cl ZINC001250939225 805806382 /nfs/dbraw/zinc/80/63/82/805806382.db2.gz MTEDTODZFAMFKZ-UHFFFAOYSA-N 0 1 288.694 3.495 20 5 CGBDMN Cc1c2nc(-c3ccc([N+](=O)[O-])cc3O)[nH]c2ccc1F ZINC001251009723 805827373 /nfs/dbraw/zinc/82/73/73/805827373.db2.gz SRAZHPCMWCQAIM-UHFFFAOYSA-N 0 1 287.250 3.291 20 5 CGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1cscn1 ZINC001254534719 806445465 /nfs/dbraw/zinc/44/54/65/806445465.db2.gz BXFBINFKGXFTQG-QWRGUYRKSA-N 0 1 291.376 3.333 20 5 CGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)Cc1cncs1 ZINC001254565187 806451565 /nfs/dbraw/zinc/45/15/65/806451565.db2.gz NPHLMAOVCMFYFD-NSHDSACASA-N 0 1 291.376 3.114 20 5 CGBDMN 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298.342 3.063 20 5 CGBDMN CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000182076861 374214835 /nfs/dbraw/zinc/21/48/35/374214835.db2.gz DPQDKBRTMQORPL-UHFFFAOYSA-N 0 1 256.733 3.479 20 5 CGBDMN C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339005113 376624803 /nfs/dbraw/zinc/62/48/03/376624803.db2.gz KLLHMYTTYSSSCN-NEPJUHHUSA-N 0 1 278.352 3.311 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675037 376800925 /nfs/dbraw/zinc/80/09/25/376800925.db2.gz BSVKMXYZROAKSG-ZDUSSCGKSA-N 0 1 290.363 3.225 20 5 CGBDMN CC[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000247559481 377224404 /nfs/dbraw/zinc/22/44/04/377224404.db2.gz QPPOPXVEDSFSQW-RISCZKNCSA-N 0 1 280.393 3.483 20 5 CGBDMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578667569 378089974 /nfs/dbraw/zinc/08/99/74/378089974.db2.gz VQQKUNQFOIPPBW-CMPLNLGQSA-N 0 1 286.335 3.105 20 5 CGBDMN Cc1nc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])cs1 ZINC000269385819 378214648 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C[C@H](c1cccc(O)c1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000109781137 392372433 /nfs/dbraw/zinc/37/24/33/392372433.db2.gz ORGZPFZNJFVHEQ-GFCCVEGCSA-N 0 1 286.331 3.493 20 5 CGBDMN C[C@@H]1C[C@H](C)CN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505609556 392680626 /nfs/dbraw/zinc/68/06/26/392680626.db2.gz ZHNROUAZHDCMDW-PHIMTYICSA-N 0 1 266.316 3.212 20 5 CGBDMN Cc1ccc(CN[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418100365 393359674 /nfs/dbraw/zinc/35/96/74/393359674.db2.gz PJEMDUIYXHERLR-INIZCTEOSA-N 0 1 298.342 3.264 20 5 CGBDMN CC[C@@H](NCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000092328681 165291532 /nfs/dbraw/zinc/29/15/32/165291532.db2.gz SFDOCIKCDQTEGG-OAHLLOKOSA-N 0 1 289.335 3.441 20 5 CGBDMN Cc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092540606 287112519 /nfs/dbraw/zinc/11/25/19/287112519.db2.gz PSAGFISYRLUSCY-RYUDHWBXSA-N 0 1 280.393 3.229 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCCCC1 ZINC000103464783 270046072 /nfs/dbraw/zinc/04/60/72/270046072.db2.gz MFNYDZIZEHLLCS-UHFFFAOYSA-N 0 1 252.289 3.110 20 5 CGBDMN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000367629861 278383778 /nfs/dbraw/zinc/38/37/78/278383778.db2.gz BQNVYAMYBAFROQ-YGRLFVJLSA-N 0 1 286.335 3.046 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000555381349 289342839 /nfs/dbraw/zinc/34/28/39/289342839.db2.gz WASXYZQATFNQFM-MRXNPFEDSA-N 0 1 299.330 3.033 20 5 CGBDMN C[C@H]([N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000570122935 322265369 /nfs/dbraw/zinc/26/53/69/322265369.db2.gz XVDPAZXMMQCMJU-JTQLQIEISA-N 0 1 290.367 3.338 20 5 CGBDMN CC(C)CC(C)(C)CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356758057 527679669 /nfs/dbraw/zinc/67/96/69/527679669.db2.gz BCKIEMNLDYVCGK-UHFFFAOYSA-N 0 1 294.351 3.103 20 5 CGBDMN CC1(C)CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000726964809 571690438 /nfs/dbraw/zinc/69/04/38/571690438.db2.gz HNBQPWCTXUZMRJ-UHFFFAOYSA-N 0 1 288.351 3.024 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCCCCCC2)cs1 ZINC000054152619 619427787 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CC[C@H]1C[C@H](C)CN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690441 242445498 /nfs/dbraw/zinc/44/54/98/242445498.db2.gz QTNXUSCBGOZMBT-JQWIXIFHSA-N 0 1 296.342 3.363 20 5 CGBDMN C[C@H](NCc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000507248892 244822624 /nfs/dbraw/zinc/82/26/24/244822624.db2.gz YMBROZFKYRPWSW-LBPRGKRZSA-N 0 1 296.330 3.093 20 5 CGBDMN C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000172861276 373050953 /nfs/dbraw/zinc/05/09/53/373050953.db2.gz DONKBQNILSTOGJ-NXEZZACHSA-N 0 1 254.355 3.277 20 5 CGBDMN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449505093 373804558 /nfs/dbraw/zinc/80/45/58/373804558.db2.gz QWFWNDYDAYGCQW-QMTHXVAHSA-N 0 1 298.770 3.105 20 5 CGBDMN CC(C)c1ccc(CN2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000179724912 373910249 /nfs/dbraw/zinc/91/02/49/373910249.db2.gz RLLCJCFDXLEQDK-UHFFFAOYSA-N 0 1 292.379 3.065 20 5 CGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC12CCC2 ZINC000353668469 220240594 /nfs/dbraw/zinc/24/05/94/220240594.db2.gz GGKDJFGVLVJTJS-ZZXKWVIFSA-N 0 1 258.321 3.236 20 5 CGBDMN Cc1cncc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000181831781 374177931 /nfs/dbraw/zinc/17/79/31/374177931.db2.gz WOUKMWWBQABKIM-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CC[C@H]1C[C@@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544973 374541738 /nfs/dbraw/zinc/54/17/38/374541738.db2.gz SOPHVQSQQZYUBU-MNOVXSKESA-N 0 1 288.351 3.092 20 5 CGBDMN C[C@H]1CN(Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000464832034 374907422 /nfs/dbraw/zinc/90/74/22/374907422.db2.gz LFZVTVLCBSONGS-AOOOYVTPSA-N 0 1 268.744 3.336 20 5 CGBDMN Cc1c(CNCc2cc(O)cc(F)c2)cccc1[N+](=O)[O-] ZINC000231884391 376574861 /nfs/dbraw/zinc/57/48/61/376574861.db2.gz QBELHDHAEPDKRQ-UHFFFAOYSA-N 0 1 290.294 3.038 20 5 CGBDMN COc1cc(CN2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272936 377482316 /nfs/dbraw/zinc/48/23/16/377482316.db2.gz DUHKBHDPLRCNHI-GHMZBOCLSA-N 0 1 296.342 3.220 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cccc(O)c1 ZINC000575195262 377761392 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C[C@@H](C1CCC1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026166 380997172 /nfs/dbraw/zinc/99/71/72/380997172.db2.gz BTXSLFSCAJWZGV-JTQLQIEISA-N 0 1 266.316 3.354 20 5 CGBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCc3cn[nH]c32)c(Cl)c1 ZINC000268839875 285136158 /nfs/dbraw/zinc/13/61/58/285136158.db2.gz OMGOVWKVLGZELB-LBPRGKRZSA-N 0 1 292.726 3.461 20 5 CGBDMN Cc1cscc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000094877797 392243019 /nfs/dbraw/zinc/24/30/19/392243019.db2.gz ASOQEPXMWKUBQC-UHFFFAOYSA-N 0 1 262.334 3.255 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC(C)=C(C)C1 ZINC000430241080 393548243 /nfs/dbraw/zinc/54/82/43/393548243.db2.gz NBFSSIZWBIJURT-UHFFFAOYSA-N 0 1 276.336 3.146 20 5 CGBDMN C[C@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650992 393790523 /nfs/dbraw/zinc/79/05/23/393790523.db2.gz FFCMCUORZYGLGG-NSHDSACASA-N 0 1 288.351 3.236 20 5 CGBDMN C[C@@H]1CC[C@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000076149975 165108250 /nfs/dbraw/zinc/10/82/50/165108250.db2.gz FXIBYLQJMWYRRZ-VHSXEESVSA-N 0 1 254.355 3.277 20 5 CGBDMN Cc1[nH]nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000091835533 165274822 /nfs/dbraw/zinc/27/48/22/165274822.db2.gz OUADROKOFFRKKF-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN C[C@@H]1SCCN(C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093499836 287117025 /nfs/dbraw/zinc/11/70/25/287117025.db2.gz MUANCIBOSZIRRM-YTDWTQRBSA-N 0 1 292.404 3.434 20 5 CGBDMN CC[C@@H](NCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000119876551 287174928 /nfs/dbraw/zinc/17/49/28/287174928.db2.gz DCQGILMJPRVKHB-OCCSQVGLSA-N 0 1 298.770 3.295 20 5 CGBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020128033 171014581 /nfs/dbraw/zinc/01/45/81/171014581.db2.gz CPNSEGPCFNMGQA-VXGBXAGGSA-N 0 1 271.320 3.402 20 5 CGBDMN COc1ccc(CNCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000020473567 171217451 /nfs/dbraw/zinc/21/74/51/171217451.db2.gz FPQGSPLDSKTTAI-UHFFFAOYSA-N 0 1 290.294 3.032 20 5 CGBDMN CC(C)OC1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185854799 270064299 /nfs/dbraw/zinc/06/42/99/270064299.db2.gz 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CCN1CCC[C@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226989170 817527634 /nfs/dbraw/zinc/52/76/34/817527634.db2.gz LEEMMNZGNQQDBO-NSHDSACASA-N 0 1 298.770 3.420 20 5 CGBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)CCC(C)C)n1 ZINC001231259797 818065491 /nfs/dbraw/zinc/06/54/91/818065491.db2.gz PQPRMIWCQWQEIZ-SNVBAGLBSA-N 0 1 268.313 3.207 20 5 CGBDMN CS[C@H]1CC[C@H]([N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001343878136 936516792 /nfs/dbraw/zinc/51/67/92/936516792.db2.gz QPMBVXJKTPBYMZ-AAEUAGOBSA-N 0 1 296.392 3.016 20 5 CGBDMN CC(C)=CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001347105609 936870024 /nfs/dbraw/zinc/87/00/24/936870024.db2.gz XVXRLFNVLFTREZ-UHFFFAOYSA-N 0 1 260.337 3.309 20 5 CGBDMN CC(C)=CCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001347105609 936870025 /nfs/dbraw/zinc/87/00/25/936870025.db2.gz XVXRLFNVLFTREZ-UHFFFAOYSA-N 0 1 260.337 3.309 20 5 CGBDMN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c21 ZINC001439521182 937318576 /nfs/dbraw/zinc/31/85/76/937318576.db2.gz 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/nfs/dbraw/zinc/25/91/93/232259193.db2.gz CHDRYZKIWOAJOS-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN C[N@@H+](CCc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093685301 345885380 /nfs/dbraw/zinc/88/53/80/345885380.db2.gz UCVLTDIFRLPMIL-UHFFFAOYSA-N 0 1 292.360 3.036 20 5 CGBDMN Cc1ncncc1[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584851172 346718619 /nfs/dbraw/zinc/71/86/19/346718619.db2.gz VRNKINCGCJHMNV-JQWIXIFHSA-N 0 1 286.335 3.105 20 5 CGBDMN Cc1noc(CN(C)C2CCCCCC2)c1[N+](=O)[O-] ZINC000595288531 347286310 /nfs/dbraw/zinc/28/63/10/347286310.db2.gz NGPHNADIDCWCQX-UHFFFAOYSA-N 0 1 267.329 3.046 20 5 CGBDMN Cc1noc(CN(CC(C)C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595346690 347294507 /nfs/dbraw/zinc/29/45/07/347294507.db2.gz ICORBXHULKXPPK-UHFFFAOYSA-N 0 1 283.372 3.395 20 5 CGBDMN CC[C@@H](CSC)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424322 347301622 /nfs/dbraw/zinc/30/16/22/347301622.db2.gz WMOAXFXJICAVLT-LBPRGKRZSA-N 0 1 286.372 3.307 20 5 CGBDMN CC/C=C\CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC 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O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932624542 639368096 /nfs/dbraw/zinc/36/80/96/639368096.db2.gz LJBRGDBDSJCGBY-UHFFFAOYSA-N 0 1 294.326 3.015 20 5 CGBDMN COc1cc2[nH]c(Cc3ccccc3[N+](=O)[O-])nc2cc1C ZINC001250617034 805727246 /nfs/dbraw/zinc/72/72/46/805727246.db2.gz OCPBPUWMHWVADE-UHFFFAOYSA-N 0 1 297.314 3.379 20 5 CGBDMN O=[N+]([O-])c1ccccc1Cc1nc2ccc(F)cc2[nH]1 ZINC001250617016 805727940 /nfs/dbraw/zinc/72/79/40/805727940.db2.gz NKTONOZESBAYMP-UHFFFAOYSA-N 0 1 271.251 3.201 20 5 CGBDMN Cc1ccc2nc(-c3cc4c(cc3[N+](=O)[O-])OCO4)[nH]c2c1 ZINC001250933412 805803876 /nfs/dbraw/zinc/80/38/76/805803876.db2.gz JJADKQGHUWHUDO-UHFFFAOYSA-N 0 1 297.270 3.175 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1-c1nc2cccc(C)c2[nH]1 ZINC001251580044 805909759 /nfs/dbraw/zinc/90/97/59/805909759.db2.gz TVKGBINQRFRTPL-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN Cc1cccc(-c2nc3cc4c(cc3[nH]2)OCC4)c1[N+](=O)[O-] ZINC001251574087 805909115 /nfs/dbraw/zinc/90/91/15/805909115.db2.gz 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VSMIAJXLDXBASL-UHFFFAOYSA-N 0 1 260.696 3.086 20 5 CGBDMN CC(C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229791849 932484852 /nfs/dbraw/zinc/48/48/52/932484852.db2.gz OPPHMBWBEQNUCP-UHFFFAOYSA-N 0 1 270.284 3.439 20 5 CGBDMN C/C=C\C[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001307974028 933028385 /nfs/dbraw/zinc/02/83/85/933028385.db2.gz MAVGRBKRFMYOOT-ZRMMWKCHSA-N 0 1 290.363 3.479 20 5 CGBDMN O=[N+]([O-])c1ccccc1Nc1ccc(-c2c[nH]nn2)cc1 ZINC001578051598 962568767 /nfs/dbraw/zinc/56/87/67/962568767.db2.gz OTHWYBBRAUKNLJ-UHFFFAOYSA-N 0 1 281.275 3.124 20 5 CGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC2(CC(F)C2)C1 ZINC000590969297 346891827 /nfs/dbraw/zinc/89/18/27/346891827.db2.gz MNKQOCLFMWUMIV-XGICHPGQSA-N 0 1 290.338 3.432 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSC[C@@H]1CCCCO1 ZINC000593188110 347049562 /nfs/dbraw/zinc/04/95/62/347049562.db2.gz VJBIRUZZIBCYOV-LBPRGKRZSA-N 0 1 283.349 3.103 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSCCOC1CCC1 ZINC000593197542 347051121 /nfs/dbraw/zinc/05/11/21/347051121.db2.gz PFKSVQSDNPDWRI-UHFFFAOYSA-N 0 1 283.349 3.103 20 5 CGBDMN Cc1cc(NC[C@H](c2ccco2)N(C)C)ccc1[N+](=O)[O-] ZINC000079809004 345655657 /nfs/dbraw/zinc/65/56/57/345655657.db2.gz VQLHSEGPVMZDRZ-CQSZACIVSA-N 0 1 289.335 3.211 20 5 CGBDMN Cc1cccc2nc(-c3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000123212064 346008538 /nfs/dbraw/zinc/00/85/38/346008538.db2.gz YXCMZZUISFFLOJ-UHFFFAOYSA-N 0 1 253.261 3.447 20 5 CGBDMN Cc1c(CN(C)[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127548465 187314647 /nfs/dbraw/zinc/31/46/47/187314647.db2.gz PPGXSZDOHZPZOH-CYBMUJFWSA-N 0 1 285.347 3.491 20 5 CGBDMN Cc1cc(N2CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000166434010 346186887 /nfs/dbraw/zinc/18/68/87/346186887.db2.gz LMNGVHZEQIVJGT-UHFFFAOYSA-N 0 1 257.293 3.052 20 5 CGBDMN Cc1cc(N2CCC[C@H]3C[C@H]32)c2cc([N+](=O)[O-])ccc2n1 ZINC000588066850 346748175 /nfs/dbraw/zinc/74/81/75/346748175.db2.gz ZSERYZUNGGGRGM-XHDPSFHLSA-N 0 1 283.331 3.440 20 5 CGBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026232 347139663 /nfs/dbraw/zinc/13/96/63/347139663.db2.gz GXNOIIIXNVIBDE-OAHLLOKOSA-N 0 1 290.363 3.128 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](OC2CCC2)C1 ZINC000594026232 347139664 /nfs/dbraw/zinc/13/96/64/347139664.db2.gz GXNOIIIXNVIBDE-OAHLLOKOSA-N 0 1 290.363 3.128 20 5 CGBDMN CC[C@H]1CCCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595326203 347292465 /nfs/dbraw/zinc/29/24/65/347292465.db2.gz ACLYHBQDOALRFN-NSHDSACASA-N 0 1 267.329 3.046 20 5 CGBDMN C[C@H]1CC[C@H](C)N1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595341010 347293710 /nfs/dbraw/zinc/29/37/10/347293710.db2.gz ZYLVNLGZELEHPN-UWVGGRQHSA-N 0 1 252.289 3.107 20 5 CGBDMN CSCC[C@H](C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595373529 347296761 /nfs/dbraw/zinc/29/67/61/347296761.db2.gz LJDVMDOGARCHST-JTQLQIEISA-N 0 1 286.372 3.307 20 5 CGBDMN CSC[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511191 347313675 /nfs/dbraw/zinc/31/36/75/347313675.db2.gz OQHNEZVHBRMQCF-LLVKDONJSA-N 0 1 298.383 3.309 20 5 CGBDMN CC1C[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1[N+](=O)[O-] ZINC000595858655 347368279 /nfs/dbraw/zinc/36/82/79/347368279.db2.gz YNFOZQSVCFATIC-YOGCLGLASA-N 0 1 278.327 3.497 20 5 CGBDMN Cc1nocc1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000596379111 347439518 /nfs/dbraw/zinc/43/95/18/347439518.db2.gz CJMBUFVHNILFJU-UHFFFAOYSA-N 0 1 280.305 3.030 20 5 CGBDMN Cc1ncc(-c2ccc(F)c(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000596646364 347497904 /nfs/dbraw/zinc/49/79/04/347497904.db2.gz KTCIQSGLMMPGGY-UHFFFAOYSA-N 0 1 289.310 3.166 20 5 CGBDMN Cc1ncccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599075134 347714915 /nfs/dbraw/zinc/71/49/15/347714915.db2.gz YAQAGOKBZTXMQF-LLVKDONJSA-N 0 1 271.320 3.149 20 5 CGBDMN CCc1c(=O)n(-c2cc([N+](=O)[O-])ccc2C)[nH]c1C(C)C ZINC000601937052 347926262 /nfs/dbraw/zinc/92/62/62/347926262.db2.gz YDMLIOXNJQRIBI-GFCCVEGCSA-N 0 1 289.335 3.288 20 5 CGBDMN CC[C@H](C)c1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000601938632 347926586 /nfs/dbraw/zinc/92/65/86/347926586.db2.gz HMVBUNAGIBQZMJ-VIFPVBQESA-N 0 1 275.308 3.042 20 5 CGBDMN CC1(C)[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000610216233 348367800 /nfs/dbraw/zinc/36/78/00/348367800.db2.gz HUBMNKQGUPQGPX-TXEJJXNPSA-N 0 1 280.755 3.336 20 5 CGBDMN CCO[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610002292 348360338 /nfs/dbraw/zinc/36/03/38/348360338.db2.gz WLYPQAQOALTUQZ-DOMZBBRYSA-N 0 1 278.352 3.157 20 5 CGBDMN Cc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000611335516 348438832 /nfs/dbraw/zinc/43/88/32/348438832.db2.gz DIIZAVNTOJNHDC-LBPRGKRZSA-N 0 1 285.347 3.457 20 5 CGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)F)C1 ZINC000611179621 348427163 /nfs/dbraw/zinc/42/71/63/348427163.db2.gz GIEWCXPAIDEEOP-KOLCDFICSA-N 0 1 270.279 3.243 20 5 CGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)F)C1 ZINC000611180548 348427181 /nfs/dbraw/zinc/42/71/81/348427181.db2.gz ZEQQMEYLPLZGFA-VHSXEESVSA-N 0 1 270.279 3.243 20 5 CGBDMN Cc1ncccc1CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611377068 348442984 /nfs/dbraw/zinc/44/29/84/348442984.db2.gz XBBPQJAWOWXHIE-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000611774782 348475369 /nfs/dbraw/zinc/47/53/69/348475369.db2.gz XFZFIEWKPPTUAP-LLVKDONJSA-N 0 1 298.770 3.107 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2CCC[C@H]21 ZINC000426475639 236298264 /nfs/dbraw/zinc/29/82/64/236298264.db2.gz YSAIHKBBWATIDZ-ZWNOBZJWSA-N 0 1 264.300 3.108 20 5 CGBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCOC1 ZINC000182158032 189315471 /nfs/dbraw/zinc/31/54/71/189315471.db2.gz LEKCKDAVPYWONX-NSHDSACASA-N 0 1 298.770 3.107 20 5 CGBDMN C[C@H]1CCCCN1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301805792 201208440 /nfs/dbraw/zinc/20/84/40/201208440.db2.gz VSKSNCRSXZQGLH-JTQLQIEISA-N 0 1 299.321 3.159 20 5 CGBDMN CC[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493378024 244151131 /nfs/dbraw/zinc/15/11/31/244151131.db2.gz AERDJWYMHICWCK-JTQLQIEISA-N 0 1 268.744 3.480 20 5 CGBDMN O=[N+]([O-])c1cc(CNCCOC2CCCCC2)cs1 ZINC000070168414 369786815 /nfs/dbraw/zinc/78/68/15/369786815.db2.gz MTIJRZNZTHEJSZ-UHFFFAOYSA-N 0 1 284.381 3.095 20 5 CGBDMN O=[N+]([O-])c1ccccc1CNCCOC1CCCCC1 ZINC000112017754 370409405 /nfs/dbraw/zinc/40/94/05/370409405.db2.gz SZNXAFCEHKIGLR-UHFFFAOYSA-N 0 1 278.352 3.034 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccnc1 ZINC000151089125 371566524 /nfs/dbraw/zinc/56/65/24/371566524.db2.gz NPJNCIGIOUUXGP-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN CSC[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429298751 372346119 /nfs/dbraw/zinc/34/61/19/372346119.db2.gz FTBQQIWMVJSWCH-LLVKDONJSA-N 0 1 298.383 3.309 20 5 CGBDMN C[C@@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CN1C1CC1 ZINC000432321987 372558867 /nfs/dbraw/zinc/55/88/67/372558867.db2.gz JQKIRIVSPAAMEI-ZJUUUORDSA-N 0 1 295.770 3.285 20 5 CGBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C ZINC000174421079 373313582 /nfs/dbraw/zinc/31/35/82/373313582.db2.gz JBUTXNOYWLMHQD-GFCCVEGCSA-N 0 1 278.352 3.366 20 5 CGBDMN Cc1ccc(CNCc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000345035156 217392090 /nfs/dbraw/zinc/39/20/90/217392090.db2.gz GDVMDJHGTIUYTL-UHFFFAOYSA-N 0 1 298.342 3.223 20 5 CGBDMN Cc1ccc(CN2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527806 373825153 /nfs/dbraw/zinc/82/51/53/373825153.db2.gz LCUAHOQXAGYZJS-OAHLLOKOSA-N 0 1 292.404 3.231 20 5 CGBDMN CC(C)(C)OCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000308511297 374169822 /nfs/dbraw/zinc/16/98/22/374169822.db2.gz HWCQMEYSOSRUNS-UHFFFAOYSA-N 0 1 286.759 3.153 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000336829435 375988884 /nfs/dbraw/zinc/98/88/84/375988884.db2.gz AJJNEIRDQWUNSI-ABAIWWIYSA-N 0 1 278.327 3.498 20 5 CGBDMN Cc1cc(NCC(F)F)c2cc([N+](=O)[O-])ccc2n1 ZINC000228485695 376438973 /nfs/dbraw/zinc/43/89/73/376438973.db2.gz HIDGJYRFESYEBA-UHFFFAOYSA-N 0 1 267.235 3.128 20 5 CGBDMN Cc1cnccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228659128 376444618 /nfs/dbraw/zinc/44/46/18/376444618.db2.gz HKGINSLDWDHIRT-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1cnccc1CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000228661049 376444632 /nfs/dbraw/zinc/44/46/32/376444632.db2.gz MMWXKAKGSFZSJK-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556866691 376891175 /nfs/dbraw/zinc/89/11/75/376891175.db2.gz HQBHQIPDHACPHT-XUJVJEKNSA-N 0 1 290.363 3.453 20 5 CGBDMN C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000556866689 376892013 /nfs/dbraw/zinc/89/20/13/376892013.db2.gz HQBHQIPDHACPHT-LALPHHSUSA-N 0 1 290.363 3.453 20 5 CGBDMN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000245936711 376938758 /nfs/dbraw/zinc/93/87/58/376938758.db2.gz QERBFVXASQJVRU-WDEREUQCSA-N 0 1 289.335 3.214 20 5 CGBDMN Cc1cc(C(=O)Nc2ccc(F)cc2O)ccc1[N+](=O)[O-] ZINC000340326725 377002110 /nfs/dbraw/zinc/00/21/10/377002110.db2.gz BBCFEHLEIREJOL-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCCOCC2CCCC2)c(F)c1 ZINC000313272261 249090212 /nfs/dbraw/zinc/09/02/12/249090212.db2.gz QMJGHINHMDKBAL-UHFFFAOYSA-N 0 1 296.342 3.030 20 5 CGBDMN C[C@@H](N[C@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000517044416 249256022 /nfs/dbraw/zinc/25/60/22/249256022.db2.gz AMSVNTOYLUHEQX-WQAKAFBOSA-N 0 1 252.289 3.136 20 5 CGBDMN CCc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270626374 378377375 /nfs/dbraw/zinc/37/73/75/378377375.db2.gz DRZHDMBIZLYGKL-SSDOTTSWSA-N 0 1 295.730 3.102 20 5 CGBDMN C[C@H](N[C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000349358961 379246490 /nfs/dbraw/zinc/24/64/90/379246490.db2.gz XTKFGUPQDDMUAP-HZMBPMFUSA-N 0 1 292.360 3.041 20 5 CGBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccon1 ZINC000349832941 379410829 /nfs/dbraw/zinc/41/08/29/379410829.db2.gz KLUCLKIXAPAMIX-NEPJUHHUSA-N 0 1 289.335 3.255 20 5 CGBDMN CCC[C@]1(NCc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000378778722 379857907 /nfs/dbraw/zinc/85/79/07/379857907.db2.gz NPLMBKRTWQUOFQ-AWEZNQCLSA-N 0 1 298.770 3.297 20 5 CGBDMN 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CCCC[C@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339202209 215011062 /nfs/dbraw/zinc/01/10/62/215011062.db2.gz BALCOAJDRDQKDS-NSHDSACASA-N 0 1 266.341 3.311 20 5 CGBDMN O=[N+]([O-])c1ccccc1CNCc1cccc2cnccc21 ZINC000237937218 346347903 /nfs/dbraw/zinc/34/79/03/346347903.db2.gz WFASRIATDBXOPO-UHFFFAOYSA-N 0 1 293.326 3.433 20 5 CGBDMN CO[C@H](CNCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594998187 347252587 /nfs/dbraw/zinc/25/25/87/347252587.db2.gz UNYMFVOGLHRSOO-CYBMUJFWSA-N 0 1 298.408 3.341 20 5 CGBDMN CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595303943 347289067 /nfs/dbraw/zinc/28/90/67/347289067.db2.gz RGFVSECJQAIEIG-UHFFFAOYSA-N 0 1 252.289 3.108 20 5 CGBDMN CC[C@@H]1CCCCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595326202 347291921 /nfs/dbraw/zinc/29/19/21/347291921.db2.gz ACLYHBQDOALRFN-LLVKDONJSA-N 0 1 267.329 3.046 20 5 CGBDMN CC/C=C/CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039744 347266267 /nfs/dbraw/zinc/26/62/67/347266267.db2.gz BUOIXFUORSZNJF-MVIFTORASA-N 0 1 264.325 3.220 20 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SMLKBPUMDWRQAZ-INIZCTEOSA-N 0 1 298.342 3.231 20 5 CGBDMN CC[C@@H](C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000601942208 347927207 /nfs/dbraw/zinc/92/72/07/347927207.db2.gz HYXPVBCUCQMBGP-SECBINFHSA-N 0 1 275.308 3.042 20 5 CGBDMN COc1ccc(CN2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000602733199 348021212 /nfs/dbraw/zinc/02/12/12/348021212.db2.gz LFUDNPNBAXECJM-UHFFFAOYSA-N 0 1 296.342 3.175 20 5 CGBDMN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671990 348350794 /nfs/dbraw/zinc/35/07/94/348350794.db2.gz SVKLCGSLCJLBAV-UHFFFAOYSA-N 0 1 292.379 3.027 20 5 CGBDMN O=[N+]([O-])c1cc(F)ccc1Nc1cnn(-c2ccncc2)c1 ZINC000608909551 348333555 /nfs/dbraw/zinc/33/35/55/348333555.db2.gz WJYVPPHZYLJIQH-UHFFFAOYSA-N 0 1 299.265 3.058 20 5 CGBDMN O=[N+]([O-])c1ccsc1N1CCN(C2CCCCC2)CC1 ZINC000611413631 348449839 /nfs/dbraw/zinc/44/98/39/348449839.db2.gz JBJQBHNQXWPRRA-UHFFFAOYSA-N 0 1 295.408 3.111 20 5 CGBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(CC4)CC3)nc2c1 ZINC000370316157 234428030 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369614987 /nfs/dbraw/zinc/61/49/87/369614987.db2.gz KPIZENDKJGSSNR-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN C[C@H]1Cc2ccccc2N1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000429711774 372377260 /nfs/dbraw/zinc/37/72/60/372377260.db2.gz APRLBYYNWGJUJR-NSHDSACASA-N 0 1 284.315 3.252 20 5 CGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1nccs1 ZINC000344789377 217313070 /nfs/dbraw/zinc/31/30/70/217313070.db2.gz GXVVCSLPSGXHJJ-YRNVUSSQSA-N 0 1 289.360 3.244 20 5 CGBDMN CC(C)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446728742 373347563 /nfs/dbraw/zinc/34/75/63/373347563.db2.gz POXOPOXQBHPXSW-LLVKDONJSA-N 0 1 266.316 3.212 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000298759164 373399628 /nfs/dbraw/zinc/39/96/28/373399628.db2.gz KAJMUAZYSYJJOS-HNNXBMFYSA-N 0 1 271.320 3.260 20 5 CGBDMN C[C@@H](NC/C=C/c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000487553649 375253578 /nfs/dbraw/zinc/25/35/78/375253578.db2.gz RJEMFHDOVPPNJQ-MUBLQREKSA-N 0 1 283.331 3.354 20 5 CGBDMN COCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487976524 375290286 /nfs/dbraw/zinc/29/02/86/375290286.db2.gz ULRNGSUXNUEIGS-DGCLKSJQSA-N 0 1 298.408 3.293 20 5 CGBDMN CCCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338901835 376567558 /nfs/dbraw/zinc/56/75/58/376567558.db2.gz GZHLFFGZJZDERK-UHFFFAOYSA-N 0 1 264.325 3.065 20 5 CGBDMN Cc1c(CN[C@H](C)c2cncs2)cccc1[N+](=O)[O-] ZINC000231884364 376575881 /nfs/dbraw/zinc/57/58/81/376575881.db2.gz HJFDMZHVJPRQAY-SNVBAGLBSA-N 0 1 277.349 3.211 20 5 CGBDMN CC(C)N(Cc1ccco1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338933180 376580100 /nfs/dbraw/zinc/58/01/00/376580100.db2.gz GWCLXGFFXVJFSA-UHFFFAOYSA-N 0 1 290.319 3.304 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC2(CC2)c2ccccc21 ZINC000339038034 376640906 /nfs/dbraw/zinc/64/09/06/376640906.db2.gz FWVLGIRZYFQTRL-UHFFFAOYSA-N 0 1 296.326 3.352 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](Nc2ccccc2)C1 ZINC000237933365 376765514 /nfs/dbraw/zinc/76/55/14/376765514.db2.gz KULHHMAPUSFPKU-MRXNPFEDSA-N 0 1 297.358 3.281 20 5 CGBDMN O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339674026 376802414 /nfs/dbraw/zinc/80/24/14/376802414.db2.gz JKYZUCPUDQVLMZ-CQSZACIVSA-N 0 1 260.337 3.217 20 5 CGBDMN Cc1c(C[NH2+]Cc2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000558761851 377042171 /nfs/dbraw/zinc/04/21/71/377042171.db2.gz GFHJBDWCDWVYAH-UHFFFAOYSA-N 0 1 296.330 3.069 20 5 CGBDMN C[C@@H]1CCC[C@@H](C)N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731213140 572402947 /nfs/dbraw/zinc/40/29/47/572402947.db2.gz KDOFQVAPYNPSOW-GHMZBOCLSA-N 0 1 266.316 3.497 20 5 CGBDMN CC(C)c1nc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000270750296 378396178 /nfs/dbraw/zinc/39/61/78/378396178.db2.gz YAXTYEHHOQIFCY-QMMMGPOBSA-N 0 1 293.302 3.149 20 5 CGBDMN Cc1ccnc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000353691077 220259287 /nfs/dbraw/zinc/25/92/87/220259287.db2.gz SSFGXYOITWOYFJ-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN C[C@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000347607957 218289763 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CGBDMN Cc1cc(N[C@@H]2CCCc3cn[nH]c32)ccc1[N+](=O)[O-] ZINC000271286866 393247978 /nfs/dbraw/zinc/24/79/78/393247978.db2.gz DKZKDRANTNQJQH-GFCCVEGCSA-N 0 1 272.308 3.116 20 5 CGBDMN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]1c1ccccc1 ZINC000471186766 393276859 /nfs/dbraw/zinc/27/68/59/393276859.db2.gz MHEMLSAOEWODRT-OAHLLOKOSA-N 0 1 298.342 3.421 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)CCSC ZINC000430207549 393539682 /nfs/dbraw/zinc/53/96/82/393539682.db2.gz RCEDGECMCPJXDT-LLVKDONJSA-N 0 1 298.408 3.177 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CC(C)=C[C@@H](C)C1 ZINC000430281104 393557413 /nfs/dbraw/zinc/55/74/13/393557413.db2.gz RIACHDHVIWLGKC-LLVKDONJSA-N 0 1 276.336 3.001 20 5 CGBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000020526134 287052021 /nfs/dbraw/zinc/05/20/21/287052021.db2.gz SJRRSXIYYDVCFQ-NEPJUHHUSA-N 0 1 271.320 3.402 20 5 CGBDMN C[C@@H]1CC[C@H](C)N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149972 165112289 /nfs/dbraw/zinc/11/22/89/165112289.db2.gz FXIBYLQJMWYRRZ-ZJUUUORDSA-N 0 1 254.355 3.277 20 5 CGBDMN CC(C)CCO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000083247555 165173308 /nfs/dbraw/zinc/17/33/08/165173308.db2.gz KBNOPIJVCVASDG-MRXNPFEDSA-N 0 1 292.379 3.232 20 5 CGBDMN CC[C@@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089911918 165220950 /nfs/dbraw/zinc/22/09/50/165220950.db2.gz BHYNKXDWXZMLGM-LLVKDONJSA-N 0 1 289.335 3.480 20 5 CGBDMN CCOC[C@H]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119279282 287167578 /nfs/dbraw/zinc/16/75/78/287167578.db2.gz DJCFCWPQUADYTE-NSHDSACASA-N 0 1 298.770 3.107 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCC3(CCOCC3)CC2)cs1 ZINC000284904568 196153885 /nfs/dbraw/zinc/15/38/85/196153885.db2.gz XAUOUOPFQKMWGX-UHFFFAOYSA-N 0 1 296.392 3.049 20 5 CGBDMN Cc1ncsc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071212661 176084289 /nfs/dbraw/zinc/08/42/89/176084289.db2.gz VDUISXYEXLLNBR-SECBINFHSA-N 0 1 277.349 3.211 20 5 CGBDMN COC[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280786 228057629 /nfs/dbraw/zinc/05/76/29/228057629.db2.gz VOQOOUUKCQJWRQ-LLVKDONJSA-N 0 1 298.770 3.107 20 5 CGBDMN C[C@@H]1CC[C@H](C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332229336 274314517 /nfs/dbraw/zinc/31/45/17/274314517.db2.gz LNFJQISQWIWFEP-WDEREUQCSA-N 0 1 288.351 3.092 20 5 CGBDMN O=C(Nc1cccc(Cl)c1O)c1csc([N+](=O)[O-])c1 ZINC000172109578 321937585 /nfs/dbraw/zinc/93/75/85/321937585.db2.gz HWCOVTSMFMQQAT-UHFFFAOYSA-N 0 1 298.707 3.268 20 5 CGBDMN Cc1ccc(CN(C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183712274 524397482 /nfs/dbraw/zinc/39/74/82/524397482.db2.gz JAKHNCZSUXFCMU-ZDUSSCGKSA-N 0 1 285.347 3.491 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCC(F)(F)F ZINC000090740065 618158025 /nfs/dbraw/zinc/15/80/25/618158025.db2.gz VBNHJOCBKASPHJ-UHFFFAOYSA-N 0 1 282.649 3.290 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035009920 620222803 /nfs/dbraw/zinc/22/28/03/620222803.db2.gz SZWCQJPLZKCCRV-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN CC(C)(C)[C@@H](N)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396079 620874090 /nfs/dbraw/zinc/87/40/90/620874090.db2.gz PMPRYCMJXHBHFU-ZDUSSCGKSA-N 0 1 275.308 3.296 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC/C=C/Cl)CCC2 ZINC000903444298 621755669 /nfs/dbraw/zinc/75/56/69/621755669.db2.gz OGETUSNNIWNOJZ-VRMVNXKISA-N 0 1 266.728 3.314 20 5 CGBDMN Cc1nn(CN(CCC(C)C)CCC(C)C)cc1[N+](=O)[O-] ZINC000779859419 628438855 /nfs/dbraw/zinc/43/88/55/628438855.db2.gz IAKWZTDDMYIKLV-UHFFFAOYSA-N 0 1 296.415 3.451 20 5 CGBDMN CCCCC[C@H]1CCCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779867554 628439038 /nfs/dbraw/zinc/43/90/38/628439038.db2.gz VVQRCYRLAGIKLK-ZDUSSCGKSA-N 0 1 280.372 3.102 20 5 CGBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000790995707 629248095 /nfs/dbraw/zinc/24/80/95/629248095.db2.gz CACUVHQHXKZJGJ-UHFFFAOYSA-N 0 1 274.320 3.403 20 5 CGBDMN CC[C@H]1CC[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875048 629390028 /nfs/dbraw/zinc/39/00/28/629390028.db2.gz XNAXJVDLGOXDKS-PWSUYJOCSA-N 0 1 293.323 3.266 20 5 CGBDMN Cc1c([C@H](C)NCc2ccnc(F)c2)cccc1[N+](=O)[O-] ZINC000866472453 633147045 /nfs/dbraw/zinc/14/70/45/633147045.db2.gz AEQIGYDCWHNUKK-NSHDSACASA-N 0 1 289.310 3.288 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(F)c1 ZINC000866474647 633149189 /nfs/dbraw/zinc/14/91/89/633149189.db2.gz YQXGTNUTWLPEOI-LLVKDONJSA-N 0 1 289.310 3.288 20 5 CGBDMN C[C@@H](NC[C@@H](O)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035772 633954494 /nfs/dbraw/zinc/95/44/94/633954494.db2.gz QOARBWOWRMQVCP-MNOVXSKESA-N 0 1 298.358 3.182 20 5 CGBDMN CS[C@@H](C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050635 633973285 /nfs/dbraw/zinc/97/32/85/633973285.db2.gz ALGJZGRGGDFFKU-DTWKUNHWSA-N 0 1 272.345 3.136 20 5 CGBDMN CSC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872065891 633988193 /nfs/dbraw/zinc/98/81/93/633988193.db2.gz CBGRRUGJKMAEKB-SECBINFHSA-N 0 1 284.356 3.280 20 5 CGBDMN C[C@H](NC[C@@H]1CC(C)(C)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107239 634030744 /nfs/dbraw/zinc/03/07/44/634030744.db2.gz XNSVOTWFOAXJJF-QWRGUYRKSA-N 0 1 296.342 3.200 20 5 CGBDMN C[C@@H](NCc1ccc2c(c1)COC2)c1ccccc1[N+](=O)[O-] ZINC000873184065 634273374 /nfs/dbraw/zinc/27/33/74/634273374.db2.gz AJGMAKVHAKANAT-GFCCVEGCSA-N 0 1 298.342 3.476 20 5 CGBDMN CCC(C)(C)CC(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837555939 634932984 /nfs/dbraw/zinc/93/29/84/634932984.db2.gz FZHMKARAIBDDAO-UHFFFAOYSA-N 0 1 281.308 3.170 20 5 CGBDMN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC1(F)F ZINC000840968123 635095935 /nfs/dbraw/zinc/09/59/35/635095935.db2.gz NSRSLXUJNOVZRX-XCBNKYQSSA-N 0 1 290.697 3.382 20 5 CGBDMN CCCN[C@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178407 635597453 /nfs/dbraw/zinc/59/74/53/635597453.db2.gz CGTANCXRLQBQPG-SNVBAGLBSA-N 0 1 290.323 3.014 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@]2(CC=CCC2)C1 ZINC000886011359 637360169 /nfs/dbraw/zinc/36/01/69/637360169.db2.gz ZKSCUOMEAZXEQZ-MRXNPFEDSA-N 0 1 287.363 3.312 20 5 CGBDMN Cc1cccc(C2(NCc3cccnc3[N+](=O)[O-])CCC2)c1 ZINC000886265695 637471557 /nfs/dbraw/zinc/47/15/57/637471557.db2.gz OTURGYGDMHIYBP-UHFFFAOYSA-N 0 1 297.358 3.467 20 5 CGBDMN C[C@H](N[C@@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000925689495 638570182 /nfs/dbraw/zinc/57/01/82/638570182.db2.gz ASMAYXJHQHBLKJ-UWVGGRQHSA-N 0 1 268.744 3.405 20 5 CGBDMN CC(C)=CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000191631859 640324293 /nfs/dbraw/zinc/32/42/93/640324293.db2.gz KATIXBRWCWYNJD-UHFFFAOYSA-N 0 1 254.717 3.304 20 5 CGBDMN Cc1cccc2nc(Cc3cccc([N+](=O)[O-])c3)[nH]c21 ZINC001250594297 805713944 /nfs/dbraw/zinc/71/39/44/805713944.db2.gz FXNLIVKMYORTDT-UHFFFAOYSA-N 0 1 267.288 3.370 20 5 CGBDMN COc1cc2[nH]c(CCC(C)(C)[N+](=O)[O-])nc2cc1Cl ZINC001250593855 805714494 /nfs/dbraw/zinc/71/44/94/805714494.db2.gz KOCNUVUSHQIETN-UHFFFAOYSA-N 0 1 297.742 3.213 20 5 CGBDMN CSc1ccc2nc(-c3ccc([N+](=O)[O-])o3)[nH]c2c1 ZINC001250669083 805752259 /nfs/dbraw/zinc/75/22/59/805752259.db2.gz GSFJOAUVHLNGDC-UHFFFAOYSA-N 0 1 275.289 3.453 20 5 CGBDMN O=[N+]([O-])c1ccc(-c2nc3c(ccc(F)c3F)[nH]2)c(O)c1 ZINC001251009083 805827018 /nfs/dbraw/zinc/82/70/18/805827018.db2.gz CVHBUTKPSPYEJF-UHFFFAOYSA-N 0 1 291.213 3.122 20 5 CGBDMN COc1ccc2nc(-c3c(OC)cccc3[N+](=O)[O-])[nH]c2c1 ZINC001251438331 805896311 /nfs/dbraw/zinc/89/63/11/805896311.db2.gz OVNGHFZPMQCORL-UHFFFAOYSA-N 0 1 299.286 3.155 20 5 CGBDMN Cc1cc2nc(-c3ncccc3[N+](=O)[O-])[nH]c2cc1Cl ZINC001251527099 805904189 /nfs/dbraw/zinc/90/41/89/805904189.db2.gz ZTOBZXXQOVFFIE-UHFFFAOYSA-N 0 1 288.694 3.495 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000400307433 799544991 /nfs/dbraw/zinc/54/49/91/799544991.db2.gz YIJQDWPMFMFFSN-LLVKDONJSA-N 0 1 280.755 3.480 20 5 CGBDMN O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(F)cc3[nH]2)c1 ZINC000587160475 799683710 /nfs/dbraw/zinc/68/37/10/799683710.db2.gz TUJGEDCHMGEUCA-UHFFFAOYSA-N 0 1 275.214 3.416 20 5 CGBDMN O=[N+]([O-])c1ccsc1NCc1ccc2nc[nH]c2c1 ZINC001163722206 806808316 /nfs/dbraw/zinc/80/83/16/806808316.db2.gz UYKKKYMPVHQZGJ-UHFFFAOYSA-N 0 1 274.305 3.145 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2c(O)cccc2Cl)ccc1O ZINC001210399151 814445785 /nfs/dbraw/zinc/44/57/85/814445785.db2.gz SCIPLUVJNLUGCX-UHFFFAOYSA-N 0 1 280.667 3.403 20 5 CGBDMN CC(=O)c1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210401745 814446948 /nfs/dbraw/zinc/44/69/48/814446948.db2.gz YZNAYRSEZUEQII-UHFFFAOYSA-N 0 1 272.260 3.247 20 5 CGBDMN Cc1cccc2ncc(Nc3ccc(F)c([N+](=O)[O-])c3)n21 ZINC001211191387 814844836 /nfs/dbraw/zinc/84/48/36/814844836.db2.gz UQOFHMKOOBKILQ-UHFFFAOYSA-N 0 1 286.266 3.434 20 5 CGBDMN C[C@H]1CCCC[C@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492042 817073721 /nfs/dbraw/zinc/07/37/21/817073721.db2.gz VEBMQJIMDOZXTP-JOYOIKCWSA-N 0 1 251.282 3.258 20 5 CGBDMN C[C@H](Oc1cccc2[nH]nnc21)c1ccccc1[N+](=O)[O-] ZINC001225990591 817240378 /nfs/dbraw/zinc/24/03/78/817240378.db2.gz DNPKUUWMRYGDAK-VIFPVBQESA-N 0 1 284.275 3.006 20 5 CGBDMN CCCCC[C@H](C)Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231260031 818064875 /nfs/dbraw/zinc/06/48/75/818064875.db2.gz QVPPCBFWTXRVRW-JTQLQIEISA-N 0 1 268.313 3.351 20 5 CGBDMN CCC[C@H](Oc1nc(C)cc(O)c1[N+](=O)[O-])C(C)C ZINC001231261047 818065178 /nfs/dbraw/zinc/06/51/78/818065178.db2.gz XTJBCWKNJJPTEN-NSHDSACASA-N 0 1 268.313 3.207 20 5 CGBDMN CCCOc1ccccc1[C@@H](CC(C)C)NCC[N+](=O)[O-] ZINC001459838469 937503233 /nfs/dbraw/zinc/50/32/33/937503233.db2.gz QVUQZGRXVMBHQT-OAHLLOKOSA-N 0 1 294.395 3.429 20 5 CGBDMN CC(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1cc(O)ccc21 ZINC001229797874 932485458 /nfs/dbraw/zinc/48/54/58/932485458.db2.gz QADOUDRLXKSKPZ-JTQLQIEISA-N 0 1 298.294 3.008 20 5 CGBDMN C[C@H]1CCC[C@@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230601586 932597215 /nfs/dbraw/zinc/59/72/15/932597215.db2.gz OMXPBFNOEIDLNL-GXSJLCMTSA-N 0 1 275.308 3.429 20 5 CGBDMN C[C@@H](Cc1ccccc1)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230601225 932597507 /nfs/dbraw/zinc/59/75/07/932597507.db2.gz LIFWLIJUQQOROY-NSHDSACASA-N 0 1 297.314 3.481 20 5 CGBDMN Cc1ccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])c(F)c1 ZINC001307846600 933008912 /nfs/dbraw/zinc/00/89/12/933008912.db2.gz VFXYFMXVZLJOLO-UHFFFAOYSA-N 0 1 290.294 3.384 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC1Cc3ccccc3C1)C2 ZINC001323966016 934445225 /nfs/dbraw/zinc/44/52/25/934445225.db2.gz AQGZYKUFKGQHTI-UHFFFAOYSA-N 0 1 294.354 3.325 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCC(C2CCCC2)CC1 ZINC001473202441 937797020 /nfs/dbraw/zinc/79/70/20/937797020.db2.gz MWHGMTYFSUZLAC-UHFFFAOYSA-N 0 1 289.379 3.392 20 5 CGBDMN Cc1cccnc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001325493365 934915990 /nfs/dbraw/zinc/91/59/90/934915990.db2.gz AUIJSDYYZFVXBX-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN CN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC001473675727 937816974 /nfs/dbraw/zinc/81/69/74/937816974.db2.gz XLSCTNCJKLQXEI-LLVKDONJSA-N 0 1 266.316 3.212 20 5 CGBDMN Cc1ccc([C@@H](C)NCc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC001331499312 935386220 /nfs/dbraw/zinc/38/62/20/935386220.db2.gz RWLIEXMMEJWCRC-LLVKDONJSA-N 0 1 289.310 3.288 20 5 CGBDMN CC[C@@H](C)C[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594961126 982713886 /nfs/dbraw/zinc/71/38/86/982713886.db2.gz VOAGDJPQMXTLRI-LLVKDONJSA-N 0 1 294.351 3.161 20 5 CGBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC001596356206 983823006 /nfs/dbraw/zinc/82/30/06/983823006.db2.gz LCSJTPNCMFNYTA-NSHDSACASA-N 0 1 294.351 3.159 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](C3CCC3)C2)cs1 ZINC000591062205 346898306 /nfs/dbraw/zinc/89/83/06/346898306.db2.gz XPNUXKPJDJIIKP-GFCCVEGCSA-N 0 1 266.366 3.278 20 5 CGBDMN CC[C@@H](F)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440604499 529553657 /nfs/dbraw/zinc/55/36/57/529553657.db2.gz SXRNZUJUPOJJJD-ZYHUDNBSSA-N 0 1 254.305 3.302 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSCCC[C@H]1CCOC1 ZINC000593198217 347050945 /nfs/dbraw/zinc/05/09/45/347050945.db2.gz DDDFIUPRUUJXGH-NSHDSACASA-N 0 1 297.376 3.350 20 5 CGBDMN Cc1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594978467 347247230 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Cc1noc(C[N@H+]2CC[C@@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000603029739 348054788 /nfs/dbraw/zinc/05/47/88/348054788.db2.gz MYGZJRJCKFFLLS-HNNXBMFYSA-N 0 1 293.367 3.436 20 5 CGBDMN Cc1noc(CN2CC[C@@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000603029739 348054789 /nfs/dbraw/zinc/05/47/89/348054789.db2.gz MYGZJRJCKFFLLS-HNNXBMFYSA-N 0 1 293.367 3.436 20 5 CGBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])s3)[nH]c2c1 ZINC000610411968 348382480 /nfs/dbraw/zinc/38/24/80/348382480.db2.gz HQIIPECKOZKTSO-UHFFFAOYSA-N 0 1 288.332 3.453 20 5 CGBDMN Cc1ccc2c(c1)N(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC000611561113 348461362 /nfs/dbraw/zinc/46/13/62/348461362.db2.gz KXDJSUWWBXRGRS-UHFFFAOYSA-N 0 1 284.315 3.172 20 5 CGBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000123398506 187089462 /nfs/dbraw/zinc/08/94/62/187089462.db2.gz IJBFBGKFMPRHPA-MRVPVSSYSA-N 0 1 290.348 3.444 20 5 CGBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1cccc([N+](=O)[O-])c1 ZINC000123398506 187089463 /nfs/dbraw/zinc/08/94/63/187089463.db2.gz 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296.342 3.171 20 5 CGBDMN Cc1cc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000903287867 621670484 /nfs/dbraw/zinc/67/04/84/621670484.db2.gz RMIZIYDZJWJWNI-VXGBXAGGSA-N 0 1 288.351 3.049 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000154140787 624207966 /nfs/dbraw/zinc/20/79/66/624207966.db2.gz CGRYDWKCSYITJC-NXEZZACHSA-N 0 1 268.744 3.479 20 5 CGBDMN CC(C)(C)[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(F)(F)F ZINC000767475751 627410945 /nfs/dbraw/zinc/41/09/45/627410945.db2.gz OWXFENCJEVYPJK-VIFPVBQESA-N 0 1 294.229 3.057 20 5 CGBDMN Cc1ccc(N(C)Cc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000780767853 628515922 /nfs/dbraw/zinc/51/59/22/628515922.db2.gz ZLMKGWZGZURUMY-UHFFFAOYSA-N 0 1 272.304 3.245 20 5 CGBDMN CO[C@@H](C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811493737 631074776 /nfs/dbraw/zinc/07/47/76/631074776.db2.gz LYPJKWPUQGQIPA-ZETCQYMHSA-N 0 1 293.150 3.026 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ccc(Cl)nn1 ZINC000821074642 632722071 /nfs/dbraw/zinc/72/20/71/632722071.db2.gz MFAFKOQZPUOTST-UHFFFAOYSA-N 0 1 297.723 3.036 20 5 CGBDMN Cc1conc1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000871713815 633839445 /nfs/dbraw/zinc/83/94/45/633839445.db2.gz FCSCWLJTPHLAJW-UHFFFAOYSA-N 0 1 280.305 3.030 20 5 CGBDMN C[C@@H](NCCc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029518 633948294 /nfs/dbraw/zinc/94/82/94/633948294.db2.gz RAUWJSWDUVSLES-SECBINFHSA-N 0 1 295.339 3.084 20 5 CGBDMN C[C@@H](NCCCOC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872069419 633990884 /nfs/dbraw/zinc/99/08/84/633990884.db2.gz OCMWRHQRPMXNHF-MRVPVSSYSA-N 0 1 292.257 3.014 20 5 CGBDMN COC1([C@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080225 634004121 /nfs/dbraw/zinc/00/41/21/634004121.db2.gz OUHIVFDWKUQVJI-MNOVXSKESA-N 0 1 296.342 3.342 20 5 CGBDMN C[C@H](NC[C@H]1CC(C)(C)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107240 634030428 /nfs/dbraw/zinc/03/04/28/634030428.db2.gz XNSVOTWFOAXJJF-WDEREUQCSA-N 0 1 296.342 3.200 20 5 CGBDMN Cc1cc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000834814986 634246024 /nfs/dbraw/zinc/24/60/24/634246024.db2.gz RMIZIYDZJWJWNI-NWDGAFQWSA-N 0 1 288.351 3.049 20 5 CGBDMN C[C@@H](C(=O)OCc1cc(O)ccc1[N+](=O)[O-])C(C)(C)C ZINC000837526763 634926683 /nfs/dbraw/zinc/92/66/83/634926683.db2.gz FIOWSCDVTFPYHU-VIFPVBQESA-N 0 1 281.308 3.026 20 5 CGBDMN C[C@@H](OC(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc2ccccc21 ZINC000840672277 635036276 /nfs/dbraw/zinc/03/62/76/635036276.db2.gz HIUPABPEUKAYSA-VCTAVGKDSA-N 0 1 285.299 3.109 20 5 CGBDMN Cc1c(CN2CC(Cc3ccco3)C2)cccc1[N+](=O)[O-] ZINC000877654260 635134179 /nfs/dbraw/zinc/13/41/79/635134179.db2.gz NJXWMBAZPNLIDR-UHFFFAOYSA-N 0 1 286.331 3.171 20 5 CGBDMN CCCN[C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178405 635598205 /nfs/dbraw/zinc/59/82/05/635598205.db2.gz CGTANCXRLQBQPG-JTQLQIEISA-N 0 1 290.323 3.014 20 5 CGBDMN C[C@@H]1C[C@H](C)CN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247182 636887970 /nfs/dbraw/zinc/88/79/70/636887970.db2.gz QPUQRWTZZKZEKM-VHSXEESVSA-N 0 1 268.744 3.479 20 5 CGBDMN CC(F)(F)CCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930100081 638974073 /nfs/dbraw/zinc/97/40/73/638974073.db2.gz QVYLGMSQJBCAJC-UHFFFAOYSA-N 0 1 284.306 3.388 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@H](C)CC1 ZINC000932346191 639318411 /nfs/dbraw/zinc/31/84/11/639318411.db2.gz HEWCUZGDGRVOKK-OLZOCXBDSA-N 0 1 278.352 3.075 20 5 CGBDMN COc1ccc2nc(-c3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC001250656662 805750897 /nfs/dbraw/zinc/75/08/97/805750897.db2.gz AZGCTCKHXHHPNH-UHFFFAOYSA-N 0 1 287.250 3.286 20 5 CGBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCC3(CCC3)CO2)cs1 ZINC000716532767 800175115 /nfs/dbraw/zinc/17/51/15/800175115.db2.gz KHTKSCMQMYJUPT-LBPRGKRZSA-N 0 1 296.392 3.095 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001168202437 807348467 /nfs/dbraw/zinc/34/84/67/807348467.db2.gz USCWYSWAZXYDDZ-MNOVXSKESA-N 0 1 266.316 3.212 20 5 CGBDMN O=[N+]([O-])c1cc(O)cc(-c2nnc(CC3CCCC3)o2)c1 ZINC001258695382 807550131 /nfs/dbraw/zinc/55/01/31/807550131.db2.gz MGNZAVAHFVQYIN-UHFFFAOYSA-N 0 1 289.291 3.083 20 5 CGBDMN Cc1ccc(CNc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC001178689013 809883641 /nfs/dbraw/zinc/88/36/41/809883641.db2.gz QKVQXBOZWFZINN-UHFFFAOYSA-N 0 1 282.303 3.392 20 5 CGBDMN COc1c(F)cccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395158 814441688 /nfs/dbraw/zinc/44/16/88/814441688.db2.gz PQQHEVXPNZJGKD-UHFFFAOYSA-N 0 1 278.239 3.192 20 5 CGBDMN Cc1c(F)ccc(N)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397499 814443996 /nfs/dbraw/zinc/44/39/96/814443996.db2.gz CTPRBUKDGPQEGV-UHFFFAOYSA-N 0 1 277.255 3.074 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cccc3ocnc32)ccc1O ZINC001210400404 814446334 /nfs/dbraw/zinc/44/63/34/814446334.db2.gz GYSXLODBTHYDSU-UHFFFAOYSA-N 0 1 271.232 3.185 20 5 CGBDMN COc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1OC ZINC001210401765 814447021 /nfs/dbraw/zinc/44/70/21/814447021.db2.gz ZPTHGCNOJASYHQ-UHFFFAOYSA-N 0 1 290.275 3.061 20 5 CGBDMN C[C@H](Oc1n[nH]c2ncccc12)c1ccccc1[N+](=O)[O-] ZINC001226304103 817324850 /nfs/dbraw/zinc/32/48/50/817324850.db2.gz ZULYHJIILRHXHP-VIFPVBQESA-N 0 1 284.275 3.006 20 5 CGBDMN CCC[C@@H](CC)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227097248 817556207 /nfs/dbraw/zinc/55/62/07/817556207.db2.gz YKSKAEJCEDGLGO-SNVBAGLBSA-N 0 1 291.307 3.201 20 5 CGBDMN CCCCC[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001435022028 937252100 /nfs/dbraw/zinc/25/21/00/937252100.db2.gz DMKUTOACBYNVAG-QLFBSQMISA-N 0 1 290.363 3.089 20 5 CGBDMN C[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307440911 932952355 /nfs/dbraw/zinc/95/23/55/932952355.db2.gz VOTVFKQBQNIABW-NSHDSACASA-N 0 1 266.316 3.356 20 5 CGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(C)(C)C1 ZINC001462511155 937646113 /nfs/dbraw/zinc/64/61/13/937646113.db2.gz IYTKKYALKMJHOH-GHXNOFRVSA-N 0 1 260.337 3.340 20 5 CGBDMN CC(C)(C)CCN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001308810096 933181615 /nfs/dbraw/zinc/18/16/15/933181615.db2.gz SFBSJCBMQMXERP-UHFFFAOYSA-N 0 1 278.352 3.094 20 5 CGBDMN Cc1cc(OCCc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC001323342013 934389295 /nfs/dbraw/zinc/38/92/95/934389295.db2.gz ITFZIMZMASUSSQ-UHFFFAOYSA-N 0 1 272.304 3.228 20 5 CGBDMN CC(C)(C)c1ccc(-c2nnc([C@@H]3C[C@H]3[N+](=O)[O-])o2)cc1 ZINC001326971378 935018297 /nfs/dbraw/zinc/01/82/97/935018297.db2.gz SGCTWWPEXSBJEH-VXGBXAGGSA-N 0 1 287.319 3.167 20 5 CGBDMN CC(C)O[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592133928 346965973 /nfs/dbraw/zinc/96/59/73/346965973.db2.gz ACRFPEAGYBPRQF-SWLSCSKDSA-N 0 1 278.352 3.155 20 5 CGBDMN CN(Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977375 344991513 /nfs/dbraw/zinc/99/15/13/344991513.db2.gz LFAKODPKMBUROF-UHFFFAOYSA-N 0 1 262.334 3.288 20 5 CGBDMN CS[C@H]1CCCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092063972 345829232 /nfs/dbraw/zinc/82/92/32/345829232.db2.gz AIVKEPAGTGGYPF-ZDUSSCGKSA-N 0 1 296.392 3.018 20 5 CGBDMN Cc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000134392223 346081448 /nfs/dbraw/zinc/08/14/48/346081448.db2.gz SWPRHAINPNIPMH-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN CC[C@@H](NCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000404301864 346599403 /nfs/dbraw/zinc/59/94/03/346599403.db2.gz ZWJWJOFXAAXFMF-CYBMUJFWSA-N 0 1 277.349 3.292 20 5 CGBDMN CC[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595304450 347289981 /nfs/dbraw/zinc/28/99/81/347289981.db2.gz FSQJRYZISMTWJM-LBPRGKRZSA-N 0 1 252.289 3.108 20 5 CGBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC2(CCC2)C1 ZINC000595344922 347295120 /nfs/dbraw/zinc/29/51/20/347295120.db2.gz ONNLSMIRDYIZOM-UHFFFAOYSA-N 0 1 264.300 3.110 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](CCF)C1 ZINC000595755530 347350819 /nfs/dbraw/zinc/35/08/19/347350819.db2.gz NKSWDNOJXQPQCJ-GFCCVEGCSA-N 0 1 296.342 3.175 20 5 CGBDMN Cc1ccc(-c2ccc([C@H]3COCCN3)cc2)cc1[N+](=O)[O-] ZINC000600790648 347836681 /nfs/dbraw/zinc/83/66/81/347836681.db2.gz LYRCUBCSENFRSA-MRXNPFEDSA-N 0 1 298.342 3.231 20 5 CGBDMN O=c1cc(C2CCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000601938747 347926519 /nfs/dbraw/zinc/92/65/19/347926519.db2.gz JACKZYAZCCVLBO-UHFFFAOYSA-N 0 1 293.710 3.141 20 5 CGBDMN O=C1[C@@H]2CCCCC2=NN1c1ccc([N+](=O)[O-])cc1Cl ZINC000601940166 347927287 /nfs/dbraw/zinc/92/72/87/347927287.db2.gz PIJXSINUGPFOOL-SECBINFHSA-N 0 1 293.710 3.141 20 5 CGBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000601940166 347927289 /nfs/dbraw/zinc/92/72/89/347927289.db2.gz PIJXSINUGPFOOL-SECBINFHSA-N 0 1 293.710 3.141 20 5 CGBDMN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)sn1 ZINC000602610209 347992731 /nfs/dbraw/zinc/99/27/31/347992731.db2.gz GRAQLDPYROVNEV-UHFFFAOYSA-N 0 1 291.376 3.385 20 5 CGBDMN C[C@H](NCc1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000611377060 348442799 /nfs/dbraw/zinc/44/27/99/348442799.db2.gz PUEBPMPOPZHJCS-NSHDSACASA-N 0 1 296.330 3.322 20 5 CGBDMN Cc1cncc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181829909 189307452 /nfs/dbraw/zinc/30/74/52/189307452.db2.gz YVZXHSFVTSBFNZ-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN C[C@@H]1CCC[C@@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000342329267 216313105 /nfs/dbraw/zinc/31/31/05/216313105.db2.gz HTFCRTALXFPPFT-GHMZBOCLSA-N 0 1 266.316 3.497 20 5 CGBDMN CCC[C@@H](C)N(C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463494552 242399691 /nfs/dbraw/zinc/39/96/91/242399691.db2.gz XALWCCJTRLZNTP-SNVBAGLBSA-N 0 1 284.331 3.363 20 5 CGBDMN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]2c2ccccc2)cc1 ZINC000482952990 243253764 /nfs/dbraw/zinc/25/37/64/243253764.db2.gz VWBVLIJCWZYIDZ-QGZVFWFLSA-N 0 1 298.342 3.421 20 5 CGBDMN CCOc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000037668241 369098860 /nfs/dbraw/zinc/09/88/60/369098860.db2.gz UYWTUOPKAHJBQM-UHFFFAOYSA-N 0 1 286.331 3.283 20 5 CGBDMN CC(C)COCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000337310743 376207995 /nfs/dbraw/zinc/20/79/95/376207995.db2.gz BIAPCIVHLGQVBM-UHFFFAOYSA-N 0 1 292.379 3.232 20 5 CGBDMN O=[N+]([O-])c1ccccc1CCNCc1ncc(Cl)s1 ZINC000344067616 217034375 /nfs/dbraw/zinc/03/43/75/217034375.db2.gz RMOLCAKAPMGLQO-UHFFFAOYSA-N 0 1 297.767 3.037 20 5 CGBDMN CC[C@@H](F)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261384 372330672 /nfs/dbraw/zinc/33/06/72/372330672.db2.gz PMAJQBWSYBQQMB-SNVBAGLBSA-N 0 1 254.305 3.168 20 5 CGBDMN CS[C@H]1CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000344332727 217154632 /nfs/dbraw/zinc/15/46/32/217154632.db2.gz ZJEVMZCHPJTVAQ-NEPJUHHUSA-N 0 1 286.784 3.232 20 5 CGBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000344591161 217240248 /nfs/dbraw/zinc/24/02/48/217240248.db2.gz MGLXMJRNRLNKTF-HNNXBMFYSA-N 0 1 271.320 3.231 20 5 CGBDMN CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000174817382 373368724 /nfs/dbraw/zinc/36/87/24/373368724.db2.gz BLHBDWALKVOKIK-UHFFFAOYSA-N 0 1 254.717 3.233 20 5 CGBDMN CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456521 374468227 /nfs/dbraw/zinc/46/82/27/374468227.db2.gz PNDLXFJCFGISTR-CMPLNLGQSA-N 0 1 264.325 3.063 20 5 CGBDMN CC[C@@H]1[C@H](C)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000185602134 374695891 /nfs/dbraw/zinc/69/58/91/374695891.db2.gz ZEKQYTWZHUEFLO-MWLCHTKSSA-N 0 1 254.355 3.277 20 5 CGBDMN Cc1ccc([C@@H](C)NCc2ccncc2C)cc1[N+](=O)[O-] ZINC000229657573 376467426 /nfs/dbraw/zinc/46/74/26/376467426.db2.gz RJOSPKSPHFJVMF-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN CC1(C)C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000339715291 376822174 /nfs/dbraw/zinc/82/21/74/376822174.db2.gz GHLZWPCAOARVPL-ZFWWWQNUSA-N 0 1 290.363 3.311 20 5 CGBDMN O=[N+]([O-])c1cccc(CN[C@H](c2cccnc2)C2CC2)c1 ZINC000340103260 376916421 /nfs/dbraw/zinc/91/64/21/376916421.db2.gz APOOXEZOWPGBFV-INIZCTEOSA-N 0 1 283.331 3.231 20 5 CGBDMN CCC(CC)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000580137015 378226558 /nfs/dbraw/zinc/22/65/58/378226558.db2.gz AECZDALJTCEIOG-UHFFFAOYSA-N 0 1 278.352 3.225 20 5 CGBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277155212 379085367 /nfs/dbraw/zinc/08/53/67/379085367.db2.gz GDTPPIYOAOZPHJ-UWVGGRQHSA-N 0 1 289.339 3.400 20 5 CGBDMN C[C@@H](N(C)Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000352617389 379880431 /nfs/dbraw/zinc/88/04/31/379880431.db2.gz BTPQXWXRHWZFOK-SNVBAGLBSA-N 0 1 266.316 3.354 20 5 CGBDMN Cc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1F ZINC000356790859 380872709 /nfs/dbraw/zinc/87/27/09/380872709.db2.gz UFANDZBZUGKZIU-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN Cc1cc(F)cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356795091 380875360 /nfs/dbraw/zinc/87/53/60/380875360.db2.gz DQYVFUKNHBGSNP-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN COc1cc(CN2CCC[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000372063536 392580800 /nfs/dbraw/zinc/58/08/00/392580800.db2.gz SEUMEIIGOLHYQC-CYBMUJFWSA-N 0 1 294.326 3.117 20 5 CGBDMN C[C@H]1CC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026377 392818762 /nfs/dbraw/zinc/81/87/62/392818762.db2.gz CDHQHVUYGATGJT-BLLLJJGKSA-N 0 1 290.363 3.127 20 5 CGBDMN CCC[C@]1(COC)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000194940539 392947679 /nfs/dbraw/zinc/94/76/79/392947679.db2.gz CXVLZCONOVACBP-CQSZACIVSA-N 0 1 298.408 3.437 20 5 CGBDMN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]2c2ccccc2)c1 ZINC000471174233 393277010 /nfs/dbraw/zinc/27/70/10/393277010.db2.gz YPUXVAZARSKVBP-QGZVFWFLSA-N 0 1 298.342 3.421 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000339067791 296508267 /nfs/dbraw/zinc/50/82/67/296508267.db2.gz IPAWJBFRGUZERR-UHFFFAOYSA-N 0 1 284.315 3.079 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000075769146 165105249 /nfs/dbraw/zinc/10/52/49/165105249.db2.gz FWDPOVFYRFGMJB-RYUDHWBXSA-N 0 1 266.366 3.421 20 5 CGBDMN CC[C@H](NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000090224490 165232601 /nfs/dbraw/zinc/23/26/01/165232601.db2.gz RIHHAFBZOHHBQP-AWEZNQCLSA-N 0 1 260.293 3.429 20 5 CGBDMN CC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093502057 287117144 /nfs/dbraw/zinc/11/71/44/287117144.db2.gz HNNTWYCVSLFPLH-DYLGSBMWSA-N 0 1 292.404 3.435 20 5 CGBDMN C[C@@H](O)C[C@@H]1CCCCCN1Cc1csc([N+](=O)[O-])c1 ZINC000285439506 196284209 /nfs/dbraw/zinc/28/42/09/196284209.db2.gz CUGAXYXOJCSLDB-YPMHNXCESA-N 0 1 298.408 3.172 20 5 CGBDMN CCn1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499310 175184498 /nfs/dbraw/zinc/18/44/98/175184498.db2.gz WMFMNBACPWFIQW-VXGBXAGGSA-N 0 1 288.351 3.223 20 5 CGBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCCc3c(O)cccc32)c1 ZINC000191655396 275039239 /nfs/dbraw/zinc/03/92/39/275039239.db2.gz ALNHSOZQOUEGAQ-INIZCTEOSA-N 0 1 298.342 3.468 20 5 CGBDMN Cc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc(C)n1 ZINC000568664760 322217994 /nfs/dbraw/zinc/21/79/94/322217994.db2.gz YOWMYIGJMMGQEE-INIZCTEOSA-N 0 1 297.358 3.384 20 5 CGBDMN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC(CF)CF ZINC000449382987 534887934 /nfs/dbraw/zinc/88/79/34/534887934.db2.gz ZNOYSRMNHDUJQS-FZMZJTMJSA-N 0 1 298.333 3.203 20 5 CGBDMN CCN(CCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000355058030 528425214 /nfs/dbraw/zinc/42/52/14/528425214.db2.gz MARLJRLHNLAYLD-UHFFFAOYSA-N 0 1 254.355 3.278 20 5 CGBDMN C[C@H]1c2ccccc2CN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072673 573079431 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ZINC000758397995 626842069 /nfs/dbraw/zinc/84/20/69/626842069.db2.gz RZMBPNPQXVHEKQ-OAHLLOKOSA-N 0 1 288.351 3.024 20 5 CGBDMN CO[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000783018840 628672857 /nfs/dbraw/zinc/67/28/57/628672857.db2.gz SFAFDFNZXOLVQP-CYBMUJFWSA-N 0 1 298.770 3.249 20 5 CGBDMN C[C@@H]1[C@@H](C)CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792867208 629389162 /nfs/dbraw/zinc/38/91/62/629389162.db2.gz MKVLDXRHAHRRPW-WDEREUQCSA-N 0 1 293.323 3.123 20 5 CGBDMN CSc1cccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000797042771 629876296 /nfs/dbraw/zinc/87/62/96/629876296.db2.gz GCFCTZMGRRPPNN-UHFFFAOYSA-N 0 1 292.316 3.002 20 5 CGBDMN CC1=C[C@@H](C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555210 630343014 /nfs/dbraw/zinc/34/30/14/630343014.db2.gz HPUOMSCZXLLLGP-SNVBAGLBSA-N 0 1 264.300 3.132 20 5 CGBDMN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091607 634017211 /nfs/dbraw/zinc/01/72/11/634017211.db2.gz XVXDDEJCULTMTN-QSJCVTFJSA-N 0 1 296.342 3.196 20 5 CGBDMN C[C@H](NCc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC1(F)F ZINC000840968125 635096255 /nfs/dbraw/zinc/09/62/55/635096255.db2.gz NSRSLXUJNOVZRX-XVKPBYJWSA-N 0 1 290.697 3.382 20 5 CGBDMN CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])[nH]1)CC(F)(F)F ZINC000843008102 635540950 /nfs/dbraw/zinc/54/09/50/635540950.db2.gz QACYABWPHHHFPJ-SSDOTTSWSA-N 0 1 294.229 3.058 20 5 CGBDMN CC(C)(NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000879410708 635780823 /nfs/dbraw/zinc/78/08/23/635780823.db2.gz ZSKMFCMGIGZCND-CQSZACIVSA-N 0 1 296.342 3.171 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC12CCCC2 ZINC000844358597 635879835 /nfs/dbraw/zinc/87/98/35/635879835.db2.gz JVGNOVODGCVCQB-UHFFFAOYSA-N 0 1 264.300 3.252 20 5 CGBDMN CC(C)CC[C@@H]1CCCCN1Cn1nccc1[N+](=O)[O-] ZINC000128615868 636050433 /nfs/dbraw/zinc/05/04/33/636050433.db2.gz VUZBKQVFPDNJGY-ZDUSSCGKSA-N 0 1 280.372 3.040 20 5 CGBDMN C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C ZINC000129727276 636358144 /nfs/dbraw/zinc/35/81/44/636358144.db2.gz LVZUVPVLASAYGZ-QWRGUYRKSA-N 0 1 266.316 3.212 20 5 CGBDMN C[C@@H]1C[C@H](C)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246558 636887671 /nfs/dbraw/zinc/88/76/71/636887671.db2.gz QPUQRWTZZKZEKM-ZJUUUORDSA-N 0 1 268.744 3.479 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)c1ccc[nH]1 ZINC000850449219 637070728 /nfs/dbraw/zinc/07/07/28/637070728.db2.gz RYYPIWPRJPBYJN-QWRGUYRKSA-N 0 1 289.335 3.343 20 5 CGBDMN C[C@@H](CN(C)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885982162 637341663 /nfs/dbraw/zinc/34/16/63/637341663.db2.gz WOMOICGKLDQVDM-ZDUSSCGKSA-N 0 1 285.347 3.225 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN[C@@H](c1cccs1)C1CC1 ZINC000886104519 637414342 /nfs/dbraw/zinc/41/43/42/637414342.db2.gz DTDIMLFJCBODDH-CYBMUJFWSA-N 0 1 289.360 3.292 20 5 CGBDMN Cc1nn(CN2CCCC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000853607497 637872842 /nfs/dbraw/zinc/87/28/42/637872842.db2.gz OIJQIGLDOCQTAD-CQSZACIVSA-N 0 1 292.383 3.102 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCO[C@@H](C)CC1 ZINC000932346193 639316480 /nfs/dbraw/zinc/31/64/80/639316480.db2.gz HEWCUZGDGRVOKK-STQMWFEESA-N 0 1 278.352 3.075 20 5 CGBDMN Cc1cccc2[nH]c(-c3ccc([N+](=O)[O-])cc3O)nc21 ZINC001251009105 805828635 /nfs/dbraw/zinc/82/86/35/805828635.db2.gz FHTLRYWWAUIJDX-UHFFFAOYSA-N 0 1 269.260 3.152 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C)cc2[nH]1 ZINC001251473502 805900387 /nfs/dbraw/zinc/90/03/87/805900387.db2.gz FUQFRYOFKCXRPA-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN O=[N+]([O-])c1ccc(F)c(Nc2cccc3[nH]ncc32)c1F ZINC001159574843 806123400 /nfs/dbraw/zinc/12/34/00/806123400.db2.gz NXKAAOPLTBSHOS-UHFFFAOYSA-N 0 1 290.229 3.493 20 5 CGBDMN CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000037082225 798857406 /nfs/dbraw/zinc/85/74/06/798857406.db2.gz PRHLRUWICUILAH-UHFFFAOYSA-N 0 1 256.733 3.479 20 5 CGBDMN C[C@H](C1CC1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036785317 798851170 /nfs/dbraw/zinc/85/11/70/798851170.db2.gz LUDZIMRBXOTAMR-SECBINFHSA-N 0 1 268.744 3.479 20 5 CGBDMN 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278.239 3.192 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2ccc(Cl)cc2O)ccc1O ZINC001210400727 814446560 /nfs/dbraw/zinc/44/65/60/814446560.db2.gz KJPUKUQUGLVMMQ-UHFFFAOYSA-N 0 1 280.667 3.403 20 5 CGBDMN COc1cc(C)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210401699 814447664 /nfs/dbraw/zinc/44/76/64/814447664.db2.gz XLZDVFFFLAVOBP-UHFFFAOYSA-N 0 1 274.276 3.361 20 5 CGBDMN CC(=O)[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225492509 817073016 /nfs/dbraw/zinc/07/30/16/817073016.db2.gz XGSTVYHHMYXCQU-HNNXBMFYSA-N 0 1 287.271 3.010 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1O[C@H]1CCc2ccccc2C1 ZINC001225491458 817073685 /nfs/dbraw/zinc/07/36/85/817073685.db2.gz OXEXTWBNDOQYRF-AWEZNQCLSA-N 0 1 285.299 3.237 20 5 CGBDMN CC(C)N1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787900 817178563 /nfs/dbraw/zinc/17/85/63/817178563.db2.gz IUAQRSHHIGXKJX-JTQLQIEISA-N 0 1 284.743 3.110 20 5 CGBDMN CC[C@@H](C)[C@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227095511 817555974 /nfs/dbraw/zinc/55/59/74/817555974.db2.gz 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O=[N+]([O-])c1ccc(CN[C@H]2CCc3ccc(O)cc32)cc1 ZINC000594980331 347247898 /nfs/dbraw/zinc/24/78/98/347247898.db2.gz POTPWZHHJHVUMK-INIZCTEOSA-N 0 1 284.315 3.078 20 5 CGBDMN C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595454947 347305885 /nfs/dbraw/zinc/30/58/85/347305885.db2.gz PBCPXAGYDLMHBM-JTQLQIEISA-N 0 1 284.356 3.061 20 5 CGBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1=CCSC1 ZINC000595887180 347370065 /nfs/dbraw/zinc/37/00/65/347370065.db2.gz BJANPONOWSKRAU-NSHDSACASA-N 0 1 278.377 3.261 20 5 CGBDMN O=[N+]([O-])c1cc(Cl)ccc1CN(C1CC1)C1CC1 ZINC000599600651 347757359 /nfs/dbraw/zinc/75/73/59/347757359.db2.gz VXBSXGHPGJDSNA-UHFFFAOYSA-N 0 1 266.728 3.375 20 5 CGBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc3nc[nH]c3c2)c1 ZINC000600852217 347840944 /nfs/dbraw/zinc/84/09/44/347840944.db2.gz NTMNWEVHZGUKJF-UHFFFAOYSA-N 0 1 282.303 3.392 20 5 CGBDMN O=[N+]([O-])c1ccc(NCc2ccc3nc[nH]c3c2)c(F)c1 ZINC000600850227 347841090 /nfs/dbraw/zinc/84/10/90/347841090.db2.gz UIXUSINYAIGXQT-UHFFFAOYSA-N 0 1 286.266 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Cc1c(C(=O)Nc2ccc3nc[nH]c3c2)cccc1[N+](=O)[O-] ZINC000170572830 372639762 /nfs/dbraw/zinc/63/97/62/372639762.db2.gz JTBAQWIEYJYCIW-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN Cc1c(CN[C@@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000296667717 373216491 /nfs/dbraw/zinc/21/64/91/373216491.db2.gz KLYFUOLBYVKTDA-OAHLLOKOSA-N 0 1 298.342 3.386 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1CN1CCCC12CCC2 ZINC000444787757 373275299 /nfs/dbraw/zinc/27/52/99/373275299.db2.gz RZXTUQVHLXJENB-UHFFFAOYSA-N 0 1 264.300 3.252 20 5 CGBDMN Cc1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446855049 373372025 /nfs/dbraw/zinc/37/20/25/373372025.db2.gz FXWCEUAKGPFNEB-UHFFFAOYSA-N 0 1 296.330 3.069 20 5 CGBDMN Cc1cc(C[C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000302784626 373962096 /nfs/dbraw/zinc/96/20/96/373962096.db2.gz UUSONYYZUYMLBK-MRVPVSSYSA-N 0 1 294.742 3.323 20 5 CGBDMN Cc1cc(CNCc2ccccc2[N+](=O)[O-])cs1 ZINC000310693678 374222178 /nfs/dbraw/zinc/22/21/78/374222178.db2.gz ORTSJLPQMAYADA-UHFFFAOYSA-N 0 1 262.334 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O=[N+]([O-])c1cccc(CN[C@H]2CCCc3cccnc32)c1 ZINC000091661541 625879102 /nfs/dbraw/zinc/87/91/02/625879102.db2.gz SKJHOBNFLFNZEF-HNNXBMFYSA-N 0 1 283.331 3.157 20 5 CGBDMN O=[N+]([O-])c1ccc(CCNCc2nc(Cl)cs2)cc1 ZINC000759188460 626879103 /nfs/dbraw/zinc/87/91/03/626879103.db2.gz ASPBKMBHIURMSY-UHFFFAOYSA-N 0 1 297.767 3.037 20 5 CGBDMN CCc1cc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000766000551 627285519 /nfs/dbraw/zinc/28/55/19/627285519.db2.gz FHXAKHDIVIFKIK-HNNXBMFYSA-N 0 1 288.351 3.121 20 5 CGBDMN CCc1cc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000766000551 627285523 /nfs/dbraw/zinc/28/55/23/627285523.db2.gz FHXAKHDIVIFKIK-HNNXBMFYSA-N 0 1 288.351 3.121 20 5 CGBDMN O=[N+]([O-])c1cccc(-c2cnn(CN3C4CCC3CC4)c2)c1 ZINC000777951227 628314215 /nfs/dbraw/zinc/31/42/15/628314215.db2.gz IPXNDTGHNBRXFE-UHFFFAOYSA-N 0 1 298.346 3.043 20 5 CGBDMN Cc1ccc(CNCc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000865787670 632891709 /nfs/dbraw/zinc/89/17/09/632891709.db2.gz QRYDBGFBXBMYEH-UHFFFAOYSA-N 0 1 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O=[N+]([O-])c1ccccc1Nc1cc(O)c(F)c(F)c1 ZINC001206172110 813224340 /nfs/dbraw/zinc/22/43/40/813224340.db2.gz BZTQTAXAEITPED-UHFFFAOYSA-N 0 1 266.203 3.322 20 5 CGBDMN CN(C)c1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210394661 814442124 /nfs/dbraw/zinc/44/21/24/814442124.db2.gz FXONJGPLIMZGMK-UHFFFAOYSA-N 0 1 273.292 3.110 20 5 CGBDMN Cc1cc(F)c(Nc2ccc(O)c([N+](=O)[O-])c2)cc1O ZINC001210398704 814443901 /nfs/dbraw/zinc/44/39/01/814443901.db2.gz OGEMWHSOSMZFKR-UHFFFAOYSA-N 0 1 278.239 3.197 20 5 CGBDMN CC(C)[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC001225488349 817071508 /nfs/dbraw/zinc/07/15/08/817071508.db2.gz FERKUYYROJDBOJ-SNVBAGLBSA-N 0 1 279.214 3.266 20 5 CGBDMN Cc1[nH]nc(CNc2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC001458575224 937469008 /nfs/dbraw/zinc/46/90/08/937469008.db2.gz WWQLVMDXRCBSRC-UHFFFAOYSA-N 0 1 297.318 3.095 20 5 CGBDMN CC(C)C[C@@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230593843 932595281 /nfs/dbraw/zinc/59/52/81/932595281.db2.gz BURKBLMDDXSSQS-SECBINFHSA-N 0 1 263.297 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CC(C)(C)c1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000012254313 368606314 /nfs/dbraw/zinc/60/63/14/368606314.db2.gz JXZQAMWBPLGLHJ-UHFFFAOYSA-N 0 1 292.364 3.303 20 5 CGBDMN CCC[C@@H](NCc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000038011286 369141152 /nfs/dbraw/zinc/14/11/52/369141152.db2.gz NHOYGUAQECPWGS-OAHLLOKOSA-N 0 1 288.351 3.257 20 5 CGBDMN CCOc1cc(CN2CCCC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000492886015 244044309 /nfs/dbraw/zinc/04/43/09/244044309.db2.gz DKFMKDZPAPSXOW-UHFFFAOYSA-N 0 1 290.363 3.370 20 5 CGBDMN C[C@@H]1c2cccn2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000051960213 369460174 /nfs/dbraw/zinc/46/01/74/369460174.db2.gz RPXGRWLVDUQQJI-CYBMUJFWSA-N 0 1 285.347 3.016 20 5 CGBDMN CC(C)n1cncc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090208573 370058957 /nfs/dbraw/zinc/05/89/57/370058957.db2.gz IVAGZGSHTQMETC-LBPRGKRZSA-N 0 1 288.351 3.223 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccnc1 ZINC000151089170 371566700 /nfs/dbraw/zinc/56/67/00/371566700.db2.gz NPJNCIGIOUUXGP-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1ccc(CN(C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000290320843 371962286 /nfs/dbraw/zinc/96/22/86/371962286.db2.gz CYRGQJMEWYXSKS-UHFFFAOYSA-N 0 1 286.331 3.241 20 5 CGBDMN C[C@H]1[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCCN1C ZINC000432143997 372540224 /nfs/dbraw/zinc/54/02/24/372540224.db2.gz TYVJXHJHYFFWIF-GXSJLCMTSA-N 0 1 283.759 3.143 20 5 CGBDMN CCN(Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000170908149 372680432 /nfs/dbraw/zinc/68/04/32/372680432.db2.gz CBKKPPHKPOMLLM-UHFFFAOYSA-N 0 1 254.305 3.212 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298759169 373399992 /nfs/dbraw/zinc/39/99/92/373399992.db2.gz KAJMUAZYSYJJOS-OAHLLOKOSA-N 0 1 271.320 3.260 20 5 CGBDMN O=C(Nc1ccc2cc[nH]c2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000447645478 373468120 /nfs/dbraw/zinc/46/81/20/373468120.db2.gz AVQDPUCXSGLLSS-UHFFFAOYSA-N 0 1 297.270 3.034 20 5 CGBDMN CC[C@@H](F)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331308184 374521443 /nfs/dbraw/zinc/52/14/43/374521443.db2.gz SSAWTDODVFENGA-GFCCVEGCSA-N 0 1 296.342 3.186 20 5 CGBDMN CC1(C)CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336789951 375939660 /nfs/dbraw/zinc/93/96/60/375939660.db2.gz KGVFJSHPFZGBSU-UHFFFAOYSA-N 0 1 252.289 3.108 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC000336829436 375988397 /nfs/dbraw/zinc/98/83/97/375988397.db2.gz AJJNEIRDQWUNSI-IAQYHMDHSA-N 0 1 278.327 3.498 20 5 CGBDMN CC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000338951653 376596665 /nfs/dbraw/zinc/59/66/65/376596665.db2.gz JQSXPJBBWZPRRH-UHFFFAOYSA-N 0 1 272.304 3.307 20 5 CGBDMN CC[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542927797 376593505 /nfs/dbraw/zinc/59/35/05/376593505.db2.gz GFNVYNVNUGMNNC-JTQLQIEISA-N 0 1 268.744 3.480 20 5 CGBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000339135793 376701391 /nfs/dbraw/zinc/70/13/91/376701391.db2.gz MARMBVWAJDWMRT-UHFFFAOYSA-N 0 1 264.325 3.065 20 5 CGBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000339144400 376707806 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381590139 /nfs/dbraw/zinc/59/01/39/381590139.db2.gz XHQCBUCTPBSYCI-NSHDSACASA-N 0 1 266.316 3.356 20 5 CGBDMN C[C@H]1CC[C@H](C)N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442294 392415802 /nfs/dbraw/zinc/41/58/02/392415802.db2.gz WDCXUUOXTCEXAU-QWRGUYRKSA-N 0 1 266.316 3.354 20 5 CGBDMN CN1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000301080177 392584518 /nfs/dbraw/zinc/58/45/18/392584518.db2.gz SUNLBNUZKJCMNE-KRWDZBQOSA-N 0 1 297.358 3.088 20 5 CGBDMN CCCCN(C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000505842421 392700725 /nfs/dbraw/zinc/70/07/25/392700725.db2.gz JHJLNCNDWWHDAV-UHFFFAOYSA-N 0 1 266.341 3.225 20 5 CGBDMN CC[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505867145 392703293 /nfs/dbraw/zinc/70/32/93/392703293.db2.gz DSFAUVHNQRSIMM-LLVKDONJSA-N 0 1 266.316 3.356 20 5 CGBDMN CC(C)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193719601 392884061 /nfs/dbraw/zinc/88/40/61/392884061.db2.gz PXKTZEBVWJETSD-UHFFFAOYSA-N 0 1 293.323 3.123 20 5 CGBDMN COc1ccc(CN2CC[C@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000546123931 393034530 /nfs/dbraw/zinc/03/45/30/393034530.db2.gz DXUUEQOEPNYFCZ-LBPRGKRZSA-N 0 1 292.379 3.471 20 5 CGBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccco1 ZINC000468638323 393156585 /nfs/dbraw/zinc/15/65/85/393156585.db2.gz ASFOVCLKTKVHSW-XYOKQWHBSA-N 0 1 272.304 3.381 20 5 CGBDMN C[C@@H]1CN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)c2ccccc21 ZINC000356331760 393422402 /nfs/dbraw/zinc/42/24/02/393422402.db2.gz WWNZJTNHMMVZAT-SNVBAGLBSA-N 0 1 298.298 3.064 20 5 CGBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421197209 393594759 /nfs/dbraw/zinc/59/47/59/393594759.db2.gz GRWYMXKCQRNALY-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449531648 393885180 /nfs/dbraw/zinc/88/51/80/393885180.db2.gz BYIYLSHUHCZUEW-ZBFHGGJFSA-N 0 1 290.338 3.354 20 5 CGBDMN CCCN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092347 165051334 /nfs/dbraw/zinc/05/13/34/165051334.db2.gz NBQIYGLPIPGCFE-JTQLQIEISA-N 0 1 290.323 3.048 20 5 CGBDMN CC(C)[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000076066715 165111596 /nfs/dbraw/zinc/11/15/96/165111596.db2.gz YISCUKNXCHYDHY-CQSZACIVSA-N 0 1 280.393 3.168 20 5 CGBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3occc32)cc1 ZINC000020204972 171070708 /nfs/dbraw/zinc/07/07/08/171070708.db2.gz LAWVRFYYXZGURR-CQSZACIVSA-N 0 1 272.304 3.355 20 5 CGBDMN Cc1c([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000037167375 173001913 /nfs/dbraw/zinc/00/19/13/173001913.db2.gz ZTXRPGIDPFBXIQ-GHMZBOCLSA-N 0 1 288.351 3.049 20 5 CGBDMN C[C@H](N[C@@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521906 279508927 /nfs/dbraw/zinc/50/89/27/279508927.db2.gz GRBFTGFRWCSUJF-ZWKOPEQDSA-N 0 1 252.289 3.136 20 5 CGBDMN Cc1ccc([C@H](C)NCC2(F)CC2)cc1[N+](=O)[O-] ZINC000527237837 288160057 /nfs/dbraw/zinc/16/00/57/288160057.db2.gz MSGFSEGIINEPOY-JTQLQIEISA-N 0 1 252.289 3.056 20 5 CGBDMN CC[C@@](C)(NCc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F ZINC000549920569 289060229 /nfs/dbraw/zinc/06/02/29/289060229.db2.gz ZELRYXMDCMVAEI-LLVKDONJSA-N 0 1 292.257 3.121 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1ccccn1 ZINC000555381348 289342649 /nfs/dbraw/zinc/34/26/49/289342649.db2.gz WASXYZQATFNQFM-INIZCTEOSA-N 0 1 299.330 3.033 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NC1(CF)CCC1 ZINC000566573054 322130423 /nfs/dbraw/zinc/13/04/23/322130423.db2.gz WJGGBLOOCXBVFA-GFCCVEGCSA-N 0 1 264.300 3.064 20 5 CGBDMN Cc1cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc(C)n1 ZINC000568664761 322218053 /nfs/dbraw/zinc/21/80/53/322218053.db2.gz YOWMYIGJMMGQEE-MRXNPFEDSA-N 0 1 297.358 3.384 20 5 CGBDMN CC(C)=CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000191625352 527442723 /nfs/dbraw/zinc/44/27/23/527442723.db2.gz QTFUQKJFNNHSHX-UHFFFAOYSA-N 0 1 254.717 3.304 20 5 CGBDMN CC(C)(COC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000747029947 572905188 /nfs/dbraw/zinc/90/51/88/572905188.db2.gz MUQBMCGBNDJJBL-UHFFFAOYSA-N 0 1 288.303 3.058 20 5 CGBDMN C[C@@H](NCc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000219211216 618720959 /nfs/dbraw/zinc/72/09/59/618720959.db2.gz NWJXOWJUKVFHCR-SNVBAGLBSA-N 0 1 290.294 3.290 20 5 CGBDMN CNc1ccc(C)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000902079489 621127951 /nfs/dbraw/zinc/12/79/51/621127951.db2.gz YBGBTMUZADGFNP-UHFFFAOYSA-N 0 1 285.347 3.235 20 5 CGBDMN O=[N+]([O-])CCN[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000905396201 622072408 /nfs/dbraw/zinc/07/24/08/622072408.db2.gz QCVCPUGWDZKPNO-ZDUSSCGKSA-N 0 1 293.754 3.065 20 5 CGBDMN CCCCCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920124102 624449327 /nfs/dbraw/zinc/44/93/27/624449327.db2.gz IUHKDJSUJZEYGF-SNVBAGLBSA-N 0 1 268.313 3.439 20 5 CGBDMN CC(C)n1cncc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537718 626011172 /nfs/dbraw/zinc/01/11/72/626011172.db2.gz JLLBQBMNJIIBNL-GFCCVEGCSA-N 0 1 288.351 3.223 20 5 CGBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCCC3(CCC3)O2)cs1 ZINC000922814520 626048513 /nfs/dbraw/zinc/04/85/13/626048513.db2.gz WTRWCCZOGYKZQN-LBPRGKRZSA-N 0 1 296.392 3.238 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)c(CN[C@]23CCC[C@H]2OCC3)c1 ZINC000865859426 632923603 /nfs/dbraw/zinc/92/36/03/632923603.db2.gz OEHQGELEZUVFHR-KGLIPLIRSA-N 0 1 296.754 3.049 20 5 CGBDMN Cc1cncc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866540374 633184071 /nfs/dbraw/zinc/18/40/71/633184071.db2.gz MYMBRKOOOOEODG-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1c(CNc2nccn2C2CC2)cccc1[N+](=O)[O-] ZINC000871864454 633901984 /nfs/dbraw/zinc/90/19/84/633901984.db2.gz XWWOBRWNAGZMTD-UHFFFAOYSA-N 0 1 272.308 3.047 20 5 CGBDMN C[C@@H](NC1CC=CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045347 633968136 /nfs/dbraw/zinc/96/81/36/633968136.db2.gz ZSFYZIWAHFAZIY-SECBINFHSA-N 0 1 250.273 3.103 20 5 CGBDMN C[C@H](N[C@H]1CS[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080169 634004104 /nfs/dbraw/zinc/00/41/04/634004104.db2.gz TUMQOIWCYLKPGS-KXUCPTDWSA-N 0 1 284.356 3.279 20 5 CGBDMN COC1([C@@H](C)N[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080229 634004543 /nfs/dbraw/zinc/00/45/43/634004543.db2.gz OUHIVFDWKUQVJI-WDEREUQCSA-N 0 1 296.342 3.342 20 5 CGBDMN C[C@@H](N[C@H]1COC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084025 634009570 /nfs/dbraw/zinc/00/95/70/634009570.db2.gz CRYBUMDCKBTFML-GHMZBOCLSA-N 0 1 294.326 3.096 20 5 CGBDMN CC[C@H](C)[C@H](C)C(=O)OCc1cc(O)ccc1[N+](=O)[O-] ZINC000837623342 634952914 /nfs/dbraw/zinc/95/29/14/634952914.db2.gz XLOJZMLQGDTAKB-UWVGGRQHSA-N 0 1 281.308 3.026 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459823 635908436 /nfs/dbraw/zinc/90/84/36/635908436.db2.gz VBKVFOQKOCAEFU-TVYUQYBPSA-N 0 1 282.290 3.161 20 5 CGBDMN Cc1nc2c(n1Cc1cc(F)ccc1[N+](=O)[O-])CCCC2 ZINC000130502431 636464993 /nfs/dbraw/zinc/46/49/93/636464993.db2.gz VNBZZLBKSUYDGT-UHFFFAOYSA-N 0 1 289.310 3.166 20 5 CGBDMN C[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134969638 637059541 /nfs/dbraw/zinc/05/95/41/637059541.db2.gz CHENDRYZGQJKDP-ZJUUUORDSA-N 0 1 268.744 3.479 20 5 CGBDMN CCC1(CC)CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886037179 637379358 /nfs/dbraw/zinc/37/93/58/637379358.db2.gz GOKIMGBYJOPJPT-UHFFFAOYSA-N 0 1 263.341 3.002 20 5 CGBDMN C[C@@H]1CC[C@]2(CCN(Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122463 637425226 /nfs/dbraw/zinc/42/52/26/637425226.db2.gz BJOJBKNJAMLORM-DOMZBBRYSA-N 0 1 275.352 3.002 20 5 CGBDMN CC(C)C1(C)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886146725 637435708 /nfs/dbraw/zinc/43/57/08/637435708.db2.gz ASCLSYHIDXSVCW-UHFFFAOYSA-N 0 1 277.368 3.248 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCCC2(CCCC2)C1 ZINC000886159986 637441742 /nfs/dbraw/zinc/44/17/42/637441742.db2.gz HOFJWLYMACUSIT-UHFFFAOYSA-N 0 1 275.352 3.146 20 5 CGBDMN CCCC[C@@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886211762 637459706 /nfs/dbraw/zinc/45/97/06/637459706.db2.gz XGWKWQTYPJSHIT-LLVKDONJSA-N 0 1 251.330 3.000 20 5 CGBDMN CC(C)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000193043546 640428552 /nfs/dbraw/zinc/42/85/52/640428552.db2.gz KAKJIKOVGRSFSO-UHFFFAOYSA-N 0 1 252.289 3.107 20 5 CGBDMN CC(C)N(Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000193043546 640428558 /nfs/dbraw/zinc/42/85/58/640428558.db2.gz KAKJIKOVGRSFSO-UHFFFAOYSA-N 0 1 252.289 3.107 20 5 CGBDMN CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774168 640802877 /nfs/dbraw/zinc/80/28/77/640802877.db2.gz JHAURPVJXCNPPL-UHFFFAOYSA-N 0 1 274.295 3.366 20 5 CGBDMN O=[N+]([O-])c1ccccc1-c1nc2ccc(F)cc2[nH]1 ZINC001250744779 805768791 /nfs/dbraw/zinc/76/87/91/805768791.db2.gz NBGJRMDXUKVTBM-UHFFFAOYSA-N 0 1 257.224 3.277 20 5 CGBDMN COc1ccc(-c2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])c1 ZINC001250835470 805784900 /nfs/dbraw/zinc/78/49/00/805784900.db2.gz MXLHYTMDVJHUEZ-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN Cc1cc(-c2nc3cc4c(cc3[nH]2)OCC4)ccc1[N+](=O)[O-] ZINC001250855030 805788469 /nfs/dbraw/zinc/78/84/69/805788469.db2.gz FINSLKYPWDNQJO-UHFFFAOYSA-N 0 1 295.298 3.381 20 5 CGBDMN O=[N+]([O-])c1cc(-c2nc3cc4c(cc3[nH]2)OCC4)cs1 ZINC001250928288 805802566 /nfs/dbraw/zinc/80/25/66/805802566.db2.gz IULFCXNMLLIIEZ-UHFFFAOYSA-N 0 1 287.300 3.135 20 5 CGBDMN Cc1cc2nc(-c3ccncc3[N+](=O)[O-])[nH]c2c(C)c1 ZINC001250939054 805805564 /nfs/dbraw/zinc/80/55/64/805805564.db2.gz KWIMCDIKAOIPHQ-UHFFFAOYSA-N 0 1 268.276 3.150 20 5 CGBDMN Cc1cccc(-c2nnc(-c3ccc(O)cc3[N+](=O)[O-])o2)c1 ZINC001253711088 806282422 /nfs/dbraw/zinc/28/24/22/806282422.db2.gz OMTIRHQIXKCWNS-UHFFFAOYSA-N 0 1 297.270 3.326 20 5 CGBDMN C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037910714 798879883 /nfs/dbraw/zinc/87/98/83/798879883.db2.gz KGQYYBFKPVGNTA-VIFPVBQESA-N 0 1 254.717 3.233 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1COC2(CCC2)C1 ZINC000688295849 799747239 /nfs/dbraw/zinc/74/72/39/799747239.db2.gz FAFYADPLSHBPFH-GFCCVEGCSA-N 0 1 296.754 3.049 20 5 CGBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000715929192 800153822 /nfs/dbraw/zinc/15/38/22/800153822.db2.gz BUUHBRSMHQJTHS-VHSXEESVSA-N 0 1 277.349 3.463 20 5 CGBDMN O=C(O[C@H]1C[C@@H](c2ccccc2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000809105484 800403369 /nfs/dbraw/zinc/40/33/69/800403369.db2.gz MZWHPKHJWYVMIU-TXEJJXNPSA-N 0 1 286.287 3.026 20 5 CGBDMN Cc1cc2c(cc1C)N(Cc1cc(O)ccc1[N+](=O)[O-])CC2 ZINC001170161794 807782753 /nfs/dbraw/zinc/78/27/53/807782753.db2.gz MRBRVUUNZVYHLK-UHFFFAOYSA-N 0 1 298.342 3.480 20 5 CGBDMN COc1ccc(C[C@H](C)N2CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170334467 807827211 /nfs/dbraw/zinc/82/72/11/807827211.db2.gz FEFCQIDHKLLCCC-LBPRGKRZSA-N 0 1 290.363 3.020 20 5 CGBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC1(C)C ZINC001174908028 809196691 /nfs/dbraw/zinc/19/66/91/809196691.db2.gz WMJFRZIDYKOXLU-NSHDSACASA-N 0 1 266.316 3.212 20 5 CGBDMN Cc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC001179391714 809919034 /nfs/dbraw/zinc/91/90/34/809919034.db2.gz XFOYJPVCESHSSD-UHFFFAOYSA-N 0 1 296.330 3.069 20 5 CGBDMN O=[N+]([O-])c1cc(O)cc(Nc2ccc(F)c(F)c2O)c1 ZINC001201230023 811801243 /nfs/dbraw/zinc/80/12/43/811801243.db2.gz UMSWEKINPTXOQO-UHFFFAOYSA-N 0 1 282.202 3.028 20 5 CGBDMN COc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1C ZINC001210398524 814443766 /nfs/dbraw/zinc/44/37/66/814443766.db2.gz LJMXFBCSVMYXDJ-UHFFFAOYSA-N 0 1 274.276 3.361 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cc(F)c(F)cc2O)ccc1O ZINC001210399255 814446051 /nfs/dbraw/zinc/44/60/51/814446051.db2.gz TZQRUYWLWQTASS-UHFFFAOYSA-N 0 1 282.202 3.028 20 5 CGBDMN C[C@H](O)c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210400973 814447469 /nfs/dbraw/zinc/44/74/69/814447469.db2.gz OOTYNHQXTJXZKY-VIFPVBQESA-N 0 1 274.276 3.097 20 5 CGBDMN CC(C)C(Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-])C(C)C ZINC001228604640 817951820 /nfs/dbraw/zinc/95/18/20/817951820.db2.gz WEPHRSJNUOCLLG-UHFFFAOYSA-N 0 1 295.339 3.027 20 5 CGBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCc3ccccc32)n1 ZINC001231259113 818064923 /nfs/dbraw/zinc/06/49/23/818064923.db2.gz GEYCNMRIYQTYIP-CYBMUJFWSA-N 0 1 286.287 3.070 20 5 CGBDMN O=[N+]([O-])c1cc2cn[nH]c2cc1O[C@H]1CCCC[C@H]1F ZINC001230600555 932597542 /nfs/dbraw/zinc/59/75/42/932597542.db2.gz HGBXLKNUDXDFDE-SKDRFNHKSA-N 0 1 279.271 3.131 20 5 CGBDMN Cc1nc(-c2ccccc2)sc1[C@H](C)NCC[N+](=O)[O-] ZINC001335781466 936160063 /nfs/dbraw/zinc/16/00/63/936160063.db2.gz RGUCOMTUNOSBJN-JTQLQIEISA-N 0 1 291.376 3.046 20 5 CGBDMN CC(C)(C)OC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000119111188 370645707 /nfs/dbraw/zinc/64/57/07/370645707.db2.gz HWAHMMPMTDLVKM-UHFFFAOYSA-N 0 1 292.379 3.374 20 5 CGBDMN CC[C@@H](F)CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000440603206 529554143 /nfs/dbraw/zinc/55/41/43/529554143.db2.gz YEIZVRXRYBCTDJ-DGCLKSJQSA-N 0 1 254.305 3.384 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSCC[C@@H]1CCCO1 ZINC000593193327 347050352 /nfs/dbraw/zinc/05/03/52/347050352.db2.gz UVRFBNBDKJQZOZ-LBPRGKRZSA-N 0 1 283.349 3.103 20 5 CGBDMN CCOC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075645249 345517539 /nfs/dbraw/zinc/51/75/39/345517539.db2.gz FGDQRBLEMYHCST-GFCCVEGCSA-N 0 1 278.352 3.157 20 5 CGBDMN Cc1c(CN(C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000080918267 345689093 /nfs/dbraw/zinc/68/90/93/345689093.db2.gz NXBOKHAUUWXGMI-UHFFFAOYSA-N 0 1 286.331 3.241 20 5 CGBDMN Cc1ncncc1[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000584851169 346718908 /nfs/dbraw/zinc/71/89/08/346718908.db2.gz VRNKINCGCJHMNV-CMPLNLGQSA-N 0 1 286.335 3.105 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOC(C)(C)C ZINC000595023788 347260433 /nfs/dbraw/zinc/26/04/33/347260433.db2.gz UCRJDKRLAQDLQJ-LLVKDONJSA-N 0 1 296.367 3.069 20 5 CGBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CCN(C2CC2)C1 ZINC000596091395 347382608 /nfs/dbraw/zinc/38/26/08/347382608.db2.gz JHMMVNIAXPVJAI-SNVBAGLBSA-N 0 1 295.770 3.205 20 5 CGBDMN CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1CC ZINC000601935239 347925828 /nfs/dbraw/zinc/92/58/28/347925828.db2.gz RIGFKDVRUNXBFS-GFCCVEGCSA-N 0 1 275.308 3.124 20 5 CGBDMN CC(C)(NCc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000602613183 347993858 /nfs/dbraw/zinc/99/38/58/347993858.db2.gz TYRNSMKGFAFKIL-UHFFFAOYSA-N 0 1 277.349 3.076 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)(F)CC1 ZINC000602992645 348052994 /nfs/dbraw/zinc/05/29/94/348052994.db2.gz BJWKCGATVLXZMC-LLVKDONJSA-N 0 1 266.316 3.480 20 5 CGBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)F)C1 ZINC000611179623 348427045 /nfs/dbraw/zinc/42/70/45/348427045.db2.gz GIEWCXPAIDEEOP-ONGXEEELSA-N 0 1 270.279 3.243 20 5 CGBDMN CN(C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccsc1 ZINC000611411714 348448340 /nfs/dbraw/zinc/44/83/40/348448340.db2.gz VDRZOYOCDKFYFS-NSHDSACASA-N 0 1 297.405 3.433 20 5 CGBDMN CCn1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000616131676 348788956 /nfs/dbraw/zinc/78/89/56/348788956.db2.gz NAESPSQKCYCGGD-UHFFFAOYSA-N 0 1 273.336 3.048 20 5 CGBDMN Cc1c([C@H](C)N[C@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000358368968 233119115 /nfs/dbraw/zinc/11/91/15/233119115.db2.gz OGABJJPZCMQJPB-MNOVXSKESA-N 0 1 274.324 3.038 20 5 CGBDMN Cn1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154283669 188133796 /nfs/dbraw/zinc/13/37/96/188133796.db2.gz JCZLHLIROPLQQB-UHFFFAOYSA-N 0 1 285.347 3.098 20 5 CGBDMN CN(Cc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000341640125 216045778 /nfs/dbraw/zinc/04/57/78/216045778.db2.gz GYRBXVPWFOTRTH-UHFFFAOYSA-N 0 1 292.379 3.373 20 5 CGBDMN Cn1cccc1[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000057622600 369544090 /nfs/dbraw/zinc/54/40/90/369544090.db2.gz GQCPOUXXSHIJHG-MRXNPFEDSA-N 0 1 285.347 3.270 20 5 CGBDMN C[C@@H]1[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCCN1C ZINC000432143998 372540886 /nfs/dbraw/zinc/54/08/86/372540886.db2.gz TYVJXHJHYFFWIF-KOLCDFICSA-N 0 1 283.759 3.143 20 5 CGBDMN C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444596920 373209807 /nfs/dbraw/zinc/20/98/07/373209807.db2.gz OEVUFOSJFZXYNP-NSHDSACASA-N 0 1 288.351 3.093 20 5 CGBDMN C[C@@H](NCc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000353622138 220199914 /nfs/dbraw/zinc/19/99/14/220199914.db2.gz LQTWQMDGMUSKJR-LLVKDONJSA-N 0 1 296.330 3.322 20 5 CGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(CF)CC1 ZINC000449454149 373737328 /nfs/dbraw/zinc/73/73/28/373737328.db2.gz JORGRBOTHAEBDL-HYXAFXHYSA-N 0 1 278.327 3.290 20 5 CGBDMN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CCOC2)c2ccccc2)c1 ZINC000181003082 374067830 /nfs/dbraw/zinc/06/78/30/374067830.db2.gz WPCKFSPYWWOCEN-RDJZCZTQSA-N 0 1 298.342 3.063 20 5 CGBDMN C[C@H](C1CC1)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182028415 374206329 /nfs/dbraw/zinc/20/63/29/374206329.db2.gz NDMNKVCWWJBQHO-SECBINFHSA-N 0 1 268.744 3.479 20 5 CGBDMN CC(C)[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331475147 374535350 /nfs/dbraw/zinc/53/53/50/374535350.db2.gz LESDWCVFQDSZFX-AWEZNQCLSA-N 0 1 288.351 3.092 20 5 CGBDMN CC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336794132 375944129 /nfs/dbraw/zinc/94/41/29/375944129.db2.gz ZUYWQNLWQLHDMF-NSHDSACASA-N 0 1 252.289 3.108 20 5 CGBDMN C[C@H]1CCC[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339005115 376623816 /nfs/dbraw/zinc/62/38/16/376623816.db2.gz KLLHMYTTYSSSCN-RYUDHWBXSA-N 0 1 278.352 3.311 20 5 CGBDMN CC[C@]1(C)CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339008019 376626505 /nfs/dbraw/zinc/62/65/05/376626505.db2.gz 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/nfs/dbraw/zinc/19/31/87/380193187.db2.gz HCLKAMMRHOMIMD-UHFFFAOYSA-N 0 1 274.723 3.430 20 5 CGBDMN CC[C@@]1(C)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000354107358 380328341 /nfs/dbraw/zinc/32/83/41/380328341.db2.gz PTJCGMJOWVPINB-LBPRGKRZSA-N 0 1 254.355 3.278 20 5 CGBDMN C[C@@H](C1CCC1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000357027804 380997708 /nfs/dbraw/zinc/99/77/08/380997708.db2.gz SWLZFVLKLJMYER-VIFPVBQESA-N 0 1 254.355 3.277 20 5 CGBDMN Cc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000360124313 381454796 /nfs/dbraw/zinc/45/47/96/381454796.db2.gz SXSLVFNZHCEWKP-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN CC[C@H]1C[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000362393546 381972583 /nfs/dbraw/zinc/97/25/83/381972583.db2.gz PNLKKLVQLZINTM-NEPJUHHUSA-N 0 1 280.393 3.483 20 5 CGBDMN CC[C@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000362393546 381972586 /nfs/dbraw/zinc/97/25/86/381972586.db2.gz PNLKKLVQLZINTM-NEPJUHHUSA-N 0 1 280.393 3.483 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CCN([C@H]1C=CCCC1)C2 ZINC000533800568 288394916 /nfs/dbraw/zinc/39/49/16/288394916.db2.gz SKODHZQWVRCRTC-ZDUSSCGKSA-N 0 1 258.321 3.062 20 5 CGBDMN C[C@@H]1CCC[C@H](C)N1Cc1csc([N+](=O)[O-])c1 ZINC000075020948 392214397 /nfs/dbraw/zinc/21/43/97/392214397.db2.gz NUYDLULKWLYAAP-AOOOYVTPSA-N 0 1 254.355 3.419 20 5 CGBDMN CC(C)CC[C@H]1CCCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331009811 392695736 /nfs/dbraw/zinc/69/57/36/392695736.db2.gz MXZGDVCPNAVARG-CYBMUJFWSA-N 0 1 294.399 3.119 20 5 CGBDMN Cc1ccc2nc(CNc3nc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000360869144 393602498 /nfs/dbraw/zinc/60/24/98/393602498.db2.gz CEKBORQGHRSVKC-UHFFFAOYSA-N 0 1 297.318 3.095 20 5 CGBDMN O=C(Nc1ccccc1Cl)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432569788 393620544 /nfs/dbraw/zinc/62/05/44/393620544.db2.gz QWOJTELDDAYVOR-UHFFFAOYSA-N 0 1 292.678 3.206 20 5 CGBDMN C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444647396 393790476 /nfs/dbraw/zinc/79/04/76/393790476.db2.gz FAEJAUOVWFNEIE-QWRGUYRKSA-N 0 1 288.351 3.092 20 5 CGBDMN CC(C)CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103465837 270045802 /nfs/dbraw/zinc/04/58/02/270045802.db2.gz UIZHQIVHSWVMGP-UHFFFAOYSA-N 0 1 266.316 3.354 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000482859625 274302593 /nfs/dbraw/zinc/30/25/93/274302593.db2.gz SHFXPMPUTXCNHL-NXEZZACHSA-N 0 1 268.744 3.479 20 5 CGBDMN Cc1cc(C)c(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000397019122 288020418 /nfs/dbraw/zinc/02/04/18/288020418.db2.gz HGAKLXUIFWXXBZ-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000278846048 278371876 /nfs/dbraw/zinc/37/18/76/278371876.db2.gz VDEKYCNSVLRKNR-MEBBXXQBSA-N 0 1 286.335 3.046 20 5 CGBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000020526136 278379270 /nfs/dbraw/zinc/37/92/70/278379270.db2.gz SJRRSXIYYDVCFQ-VXGBXAGGSA-N 0 1 271.320 3.402 20 5 CGBDMN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339005222 279017167 /nfs/dbraw/zinc/01/71/67/279017167.db2.gz JXJLJOSHWMSAGZ-GFCCVEGCSA-N 0 1 298.342 3.247 20 5 CGBDMN C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339005222 279017168 /nfs/dbraw/zinc/01/71/68/279017168.db2.gz JXJLJOSHWMSAGZ-GFCCVEGCSA-N 0 1 298.342 3.247 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](Oc2ccccc2)C1 ZINC000572153254 322322344 /nfs/dbraw/zinc/32/23/44/322322344.db2.gz LNRRBAGTCCRRMF-INIZCTEOSA-N 0 1 298.342 3.248 20 5 CGBDMN CC(C)(NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000175985381 335226343 /nfs/dbraw/zinc/22/63/43/335226343.db2.gz XULHPOVBRQGNDF-UHFFFAOYSA-N 0 1 271.320 3.015 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000246460121 618166405 /nfs/dbraw/zinc/16/64/05/618166405.db2.gz CGRYDWKCSYITJC-ZJUUUORDSA-N 0 1 268.744 3.479 20 5 CGBDMN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000092085337 618836408 /nfs/dbraw/zinc/83/64/08/618836408.db2.gz BYIUULFRXWAVSU-UWVGGRQHSA-N 0 1 268.744 3.336 20 5 CGBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000925689979 619137877 /nfs/dbraw/zinc/13/78/77/619137877.db2.gz CILMOUABBYONOA-MNOVXSKESA-N 0 1 287.319 3.107 20 5 CGBDMN Cc1ccc(CNCc2cnc(F)cc2C)cc1[N+](=O)[O-] ZINC000895832033 619894459 /nfs/dbraw/zinc/89/44/59/619894459.db2.gz DECZDEIMZIWRRX-UHFFFAOYSA-N 0 1 289.310 3.036 20 5 CGBDMN CC1(C)CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170872886 623105699 /nfs/dbraw/zinc/10/56/99/623105699.db2.gz KHFDDUNYRQUHBO-UHFFFAOYSA-N 0 1 252.289 3.108 20 5 CGBDMN C[C@H]1C[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111732585 623770768 /nfs/dbraw/zinc/77/07/68/623770768.db2.gz KXRZIRNZVZIWDS-UWVGGRQHSA-N 0 1 268.744 3.336 20 5 CGBDMN CO[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000783018842 628673151 /nfs/dbraw/zinc/67/31/51/628673151.db2.gz SFAFDFNZXOLVQP-ZDUSSCGKSA-N 0 1 298.770 3.249 20 5 CGBDMN O=[N+]([O-])CCN1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000791051607 629253004 /nfs/dbraw/zinc/25/30/04/629253004.db2.gz GMMIBUNWAJITTH-SNGWPZLWSA-N 0 1 274.364 3.221 20 5 CGBDMN CC[C@H](C)[C@@](C)(O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033688 633952947 /nfs/dbraw/zinc/95/29/47/633952947.db2.gz DNYPDXGPFUBABR-RWSFTLGLSA-N 0 1 298.358 3.182 20 5 CGBDMN CC[C@H](C)[C@](C)(O)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033689 633953296 /nfs/dbraw/zinc/95/32/96/633953296.db2.gz DNYPDXGPFUBABR-ZIBATOQPSA-N 0 1 298.358 3.182 20 5 CGBDMN C[C@H](NC[C@H](O)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035778 633954508 /nfs/dbraw/zinc/95/45/08/633954508.db2.gz QOARBWOWRMQVCP-WDEREUQCSA-N 0 1 298.358 3.182 20 5 CGBDMN CC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000872053497 633977114 /nfs/dbraw/zinc/97/71/14/633977114.db2.gz YCGFHSJAQFUEDF-OSMZGAPFSA-N 0 1 296.342 3.342 20 5 CGBDMN Cc1nn(CN2CCC[C@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC000848506962 636581761 /nfs/dbraw/zinc/58/17/61/636581761.db2.gz QVBLJZTYHLDKHO-AWEZNQCLSA-N 0 1 292.383 3.102 20 5 CGBDMN CC(C)CCN(Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956829 637331068 /nfs/dbraw/zinc/33/10/68/637331068.db2.gz ZOTQFTODBTYINX-UHFFFAOYSA-N 0 1 263.341 3.000 20 5 CGBDMN CCS[C@@H]1CC[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027280 637373556 /nfs/dbraw/zinc/37/35/56/637373556.db2.gz CZNARKREJSMENJ-CHWSQXEVSA-N 0 1 295.408 3.096 20 5 CGBDMN Cc1cccc([C@@H](C)NCc2cccnc2[N+](=O)[O-])c1C ZINC000886112401 637420958 /nfs/dbraw/zinc/42/09/58/637420958.db2.gz XHNXIAFCTNXPFL-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN C/C=C/C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886303740 637491547 /nfs/dbraw/zinc/49/15/47/637491547.db2.gz FETATENZKSBBTM-IBUXWKBASA-N 0 1 275.352 3.168 20 5 CGBDMN COC/C(C)=C\CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140468 638977543 /nfs/dbraw/zinc/97/75/43/638977543.db2.gz ADWIBZNDSKHSBI-LCYFTJDESA-N 0 1 290.363 3.152 20 5 CGBDMN O=[N+]([O-])CCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000930216462 638983401 /nfs/dbraw/zinc/98/34/01/638983401.db2.gz IFHGGIMRQMQFJC-CYBMUJFWSA-N 0 1 268.744 3.048 20 5 CGBDMN Cc1cc(F)cc2nc(-c3ccc([N+](=O)[O-])cc3O)[nH]c21 ZINC001251009515 805828541 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ZINC001210353235 814418604 /nfs/dbraw/zinc/41/86/04/814418604.db2.gz JFDFEZCUHFJBRK-UHFFFAOYSA-N 0 1 289.342 3.447 20 5 CGBDMN Cc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC001210395397 814441951 /nfs/dbraw/zinc/44/19/51/814441951.db2.gz VFPVRRXGOQXYIP-UHFFFAOYSA-N 0 1 262.240 3.492 20 5 CGBDMN O=C1CCc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC001210397685 814444838 /nfs/dbraw/zinc/44/48/38/814444838.db2.gz CQEPTRRLBUTVLQ-UHFFFAOYSA-N 0 1 284.271 3.173 20 5 CGBDMN CCOc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210399170 814446475 /nfs/dbraw/zinc/44/64/75/814446475.db2.gz SNOUMOJQPOSGLC-UHFFFAOYSA-N 0 1 274.276 3.443 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2ccc3nccn3c2)ccc1F ZINC001211190617 814844008 /nfs/dbraw/zinc/84/40/08/814844008.db2.gz VZKOGFNFCZPCIC-UHFFFAOYSA-N 0 1 272.239 3.125 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCCc2cccnc21 ZINC001225488558 817071650 /nfs/dbraw/zinc/07/16/50/817071650.db2.gz IDOUUJPPOQUXBZ-CYBMUJFWSA-N 0 1 286.287 3.152 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1O[C@@H]1CCc2ccccc21 ZINC001225488051 817071955 /nfs/dbraw/zinc/07/19/55/817071955.db2.gz ACSIIVOEQKSSMY-CQSZACIVSA-N 0 1 271.272 3.367 20 5 CGBDMN C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225488931 817072141 /nfs/dbraw/zinc/07/21/41/817072141.db2.gz NLLYUMHGUROSTP-JTQLQIEISA-N 0 1 259.261 3.440 20 5 CGBDMN O=C1CC[C@H](Oc2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC001225491583 817072776 /nfs/dbraw/zinc/07/27/76/817072776.db2.gz RGYUVCBRHJIIFU-HNNXBMFYSA-N 0 1 299.282 3.397 20 5 CGBDMN C[C@@H](Oc1cccc2[nH]nnc21)c1cccc([N+](=O)[O-])c1 ZINC001225990950 817241407 /nfs/dbraw/zinc/24/14/07/817241407.db2.gz ORULVJGKMRLNMC-SECBINFHSA-N 0 1 284.275 3.006 20 5 CGBDMN CCC[C@@H](CC)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228241990 817848706 /nfs/dbraw/zinc/84/87/06/817848706.db2.gz HONOPHCRERDMGZ-SNVBAGLBSA-N 0 1 291.307 3.201 20 5 CGBDMN CCOc1ccccc1[C@H](CC(C)C)NCC[N+](=O)[O-] ZINC001345066522 936799719 /nfs/dbraw/zinc/79/97/19/936799719.db2.gz 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CC[C@@H]1C[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000075021392 345490060 /nfs/dbraw/zinc/49/00/60/345490060.db2.gz YNWYLLYADASUDL-MWLCHTKSSA-N 0 1 254.355 3.277 20 5 CGBDMN CCN(CCC(F)(F)F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000092737621 345855107 /nfs/dbraw/zinc/85/51/07/345855107.db2.gz NSMZTPBCPOQVKP-UHFFFAOYSA-N 0 1 292.257 3.075 20 5 CGBDMN CCSCC[C@@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093870840 345892304 /nfs/dbraw/zinc/89/23/04/345892304.db2.gz DZONSAGRGSXMRM-LLVKDONJSA-N 0 1 298.408 3.264 20 5 CGBDMN CCCCC[C@@H]1CCCN1Cc1onc(C)c1[N+](=O)[O-] ZINC000595349337 347296005 /nfs/dbraw/zinc/29/60/05/347296005.db2.gz BWHVFCZBOLWAKS-GFCCVEGCSA-N 0 1 281.356 3.436 20 5 CGBDMN C[C@]12CCCC[C@H]1CN2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000599671915 347763154 /nfs/dbraw/zinc/76/31/54/347763154.db2.gz ULPVEGPZOQTTOW-WFASDCNBSA-N 0 1 278.327 3.498 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2ncccc21 ZINC000601268400 347887297 /nfs/dbraw/zinc/88/72/97/347887297.db2.gz PFWIEMAQXYDNKF-OAHLLOKOSA-N 0 1 283.331 3.157 20 5 CGBDMN CCc1c(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]c1C(C)C ZINC000601940156 347927228 /nfs/dbraw/zinc/92/72/28/347927228.db2.gz PEBMNXXSDHQIQP-NSHDSACASA-N 0 1 289.335 3.288 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1N1N=C2CC[C@@H](C)C[C@@H]2C1=O ZINC000601934737 347926003 /nfs/dbraw/zinc/92/60/03/347926003.db2.gz DSOSFDVBQKIVGI-SKDRFNHKSA-N 0 1 287.319 3.042 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1-n1[nH]c2c(c1=O)C[C@H](C)CC2 ZINC000601934737 347926005 /nfs/dbraw/zinc/92/60/05/347926005.db2.gz DSOSFDVBQKIVGI-SKDRFNHKSA-N 0 1 287.319 3.042 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000610476407 348383970 /nfs/dbraw/zinc/38/39/70/348383970.db2.gz NUZAIXZZNBVENU-LBPRGKRZSA-N 0 1 290.294 3.316 20 5 CGBDMN Cc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000611335515 348438911 /nfs/dbraw/zinc/43/89/11/348438911.db2.gz DIIZAVNTOJNHDC-GFCCVEGCSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1ncc([C@H](C)NCc2cccc([N+](=O)[O-])c2)s1 ZINC000611183963 348426969 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ZINC000119504694 370680983 /nfs/dbraw/zinc/68/09/83/370680983.db2.gz LUEPYWLFCAVFPE-HNNXBMFYSA-N 0 1 292.379 3.150 20 5 CGBDMN Cc1cccc2nc(CNc3ncc([N+](=O)[O-])cc3C)[nH]c21 ZINC000301898587 201252197 /nfs/dbraw/zinc/25/21/97/201252197.db2.gz SGVUPSLWAVDVIC-UHFFFAOYSA-N 0 1 297.318 3.095 20 5 CGBDMN Cc1ncccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350911 239340373 /nfs/dbraw/zinc/34/03/73/239340373.db2.gz YAQAGOKBZTXMQF-NSHDSACASA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000451104473 240219718 /nfs/dbraw/zinc/21/97/18/240219718.db2.gz QXAPCJVZXNSOKG-LBPRGKRZSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1ccc(CNCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000034995511 368988337 /nfs/dbraw/zinc/98/83/37/368988337.db2.gz YLYMURWPWNMZTN-UHFFFAOYSA-N 0 1 274.295 3.332 20 5 CGBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000037925512 369126278 /nfs/dbraw/zinc/12/62/78/369126278.db2.gz SZBSWTJVZJISAM-UHFFFAOYSA-N 0 1 254.717 3.090 20 5 CGBDMN Cc1occc1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000055054821 369509024 /nfs/dbraw/zinc/50/90/24/369509024.db2.gz VYNIEYJSXPPXRX-UHFFFAOYSA-N 0 1 290.319 3.007 20 5 CGBDMN Cc1ccncc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000162710500 372411224 /nfs/dbraw/zinc/41/12/24/372411224.db2.gz CPGBCFYNMBEFTG-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN C[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174406109 373309080 /nfs/dbraw/zinc/30/90/80/373309080.db2.gz LHBZWJVNQPYTQI-SECBINFHSA-N 0 1 254.717 3.233 20 5 CGBDMN CC/C=C/CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000449459507 373743215 /nfs/dbraw/zinc/74/32/15/373743215.db2.gz QGTWSZDNOPXMJL-AATRIKPKSA-N 0 1 264.325 3.049 20 5 CGBDMN CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330456523 374466956 /nfs/dbraw/zinc/46/69/56/374466956.db2.gz PNDLXFJCFGISTR-PWSUYJOCSA-N 0 1 264.325 3.063 20 5 CGBDMN C[C@@H]1CCCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000187922418 375116921 /nfs/dbraw/zinc/11/69/21/375116921.db2.gz SGGLLBUEUASFGS-SNVBAGLBSA-N 0 1 254.355 3.278 20 5 CGBDMN C[C@@H]1CCC[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000336811964 375964743 /nfs/dbraw/zinc/96/47/43/375964743.db2.gz PLVYNKAYBMKUMN-GHMZBOCLSA-N 0 1 266.316 3.497 20 5 CGBDMN Cc1sccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000336786996 375938045 /nfs/dbraw/zinc/93/80/45/375938045.db2.gz CYQXEIPGVAXIRO-UHFFFAOYSA-N 0 1 262.334 3.255 20 5 CGBDMN CC[C@H](N[C@@H](C)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000222516042 376237406 /nfs/dbraw/zinc/23/74/06/376237406.db2.gz CYBZGEAWLQQQCH-HZMBPMFUSA-N 0 1 274.324 3.120 20 5 CGBDMN Cc1ccc(CN2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539829393 376338016 /nfs/dbraw/zinc/33/80/16/376338016.db2.gz QYCJKCAVSSGXSQ-HNNXBMFYSA-N 0 1 294.420 3.477 20 5 CGBDMN CC1CCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227888263 376417356 /nfs/dbraw/zinc/41/73/56/376417356.db2.gz QUIGPGSKRBKTHZ-UHFFFAOYSA-N 0 1 299.321 3.017 20 5 CGBDMN CC1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000338952537 376598410 /nfs/dbraw/zinc/59/84/10/376598410.db2.gz OYQICVGFBUYUAP-UHFFFAOYSA-N 0 1 272.304 3.307 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](Nc2ccccc2)C1 ZINC000237933401 376764754 /nfs/dbraw/zinc/76/47/54/376764754.db2.gz KULHHMAPUSFPKU-INIZCTEOSA-N 0 1 297.358 3.281 20 5 CGBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCCCCC1 ZINC000559038580 377061028 /nfs/dbraw/zinc/06/10/28/377061028.db2.gz WJIHJNALIUHEJY-UHFFFAOYSA-N 0 1 278.352 3.455 20 5 CGBDMN CC(C)[C@@H]1N(Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000560556572 377170484 /nfs/dbraw/zinc/17/04/84/377170484.db2.gz PBTSMKZXKYAGPL-AWEZNQCLSA-N 0 1 262.353 3.461 20 5 CGBDMN COc1cc(CN2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272938 377482402 /nfs/dbraw/zinc/48/24/02/377482402.db2.gz DUHKBHDPLRCNHI-QWRGUYRKSA-N 0 1 296.342 3.220 20 5 CGBDMN CN(CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342610372 377690130 /nfs/dbraw/zinc/69/01/30/377690130.db2.gz WGIWSNMSZUUJPM-ZDUSSCGKSA-N 0 1 298.770 3.249 20 5 CGBDMN CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000270728329 378393608 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287.157 3.247 20 5 CGBDMN Cc1c(CN[C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000715976503 800157278 /nfs/dbraw/zinc/15/72/78/800157278.db2.gz HWZGMXAOAWCRME-JTQLQIEISA-N 0 1 277.349 3.211 20 5 CGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccsc1[N+](=O)[O-] ZINC001261849442 807794345 /nfs/dbraw/zinc/79/43/45/807794345.db2.gz HEHYABRBCDGJGY-UHFFFAOYSA-N 0 1 294.380 3.313 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC001171751896 808132421 /nfs/dbraw/zinc/13/24/21/808132421.db2.gz PRRFINGGJLJMDU-HNNXBMFYSA-N 0 1 290.363 3.455 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2ccc3ncoc3c2)ccc1O ZINC001210394829 814442813 /nfs/dbraw/zinc/44/28/13/814442813.db2.gz IYMQWPRZOYVQGZ-UHFFFAOYSA-N 0 1 271.232 3.185 20 5 CGBDMN CC(=O)c1c(F)cccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398107 814443750 /nfs/dbraw/zinc/44/37/50/814443750.db2.gz QLMBWTOLROIEJQ-UHFFFAOYSA-N 0 1 290.250 3.386 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cccc3snnc32)ccc1O ZINC001210398108 814444145 /nfs/dbraw/zinc/44/41/45/814444145.db2.gz QNFSXMKWRVVWMO-UHFFFAOYSA-N 0 1 288.288 3.049 20 5 CGBDMN COc1c(F)cc(F)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210397610 814444368 /nfs/dbraw/zinc/44/43/68/814444368.db2.gz ALPKODDEOAWQSG-UHFFFAOYSA-N 0 1 296.229 3.331 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cc(CO)ccc2Cl)ccc1O ZINC001210397536 814444596 /nfs/dbraw/zinc/44/45/96/814444596.db2.gz FCYAWPLWDBWHNP-UHFFFAOYSA-N 0 1 294.694 3.190 20 5 CGBDMN COc1cc(F)c(Nc2ccc(O)c([N+](=O)[O-])c2)c(F)c1 ZINC001210400177 814445430 /nfs/dbraw/zinc/44/54/30/814445430.db2.gz DOZLYTQPLFYIBR-UHFFFAOYSA-N 0 1 296.229 3.331 20 5 CGBDMN Cc1ccc(O)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210399646 814445674 /nfs/dbraw/zinc/44/56/74/814445674.db2.gz XHUSSMZDKJUYLV-UHFFFAOYSA-N 0 1 260.249 3.058 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cc(F)c(F)c(F)c2)ccc1O ZINC001210400726 814446083 /nfs/dbraw/zinc/44/60/83/814446083.db2.gz KFZQTJYMOPFPHE-UHFFFAOYSA-N 0 1 284.193 3.461 20 5 CGBDMN C[C@H](COc1cc(O)ccc1[N+](=O)[O-])Oc1ccccc1 ZINC001225490315 817071845 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CGBDMN Cc1ccc(CNc2ccc3c[nH]nc3c2)cc1[N+](=O)[O-] ZINC000037317188 344949495 /nfs/dbraw/zinc/94/94/95/344949495.db2.gz KQXJRZDKWCZBFX-UHFFFAOYSA-N 0 1 282.303 3.392 20 5 CGBDMN COc1cccc(CN(C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000042976374 344991917 /nfs/dbraw/zinc/99/19/17/344991917.db2.gz QRTJSJFSVJYJCY-UHFFFAOYSA-N 0 1 286.331 3.235 20 5 CGBDMN Cc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)sn1 ZINC000404434920 346599625 /nfs/dbraw/zinc/59/96/25/346599625.db2.gz BUDIVUWODILWMH-SNVBAGLBSA-N 0 1 277.349 3.211 20 5 CGBDMN CCCCN(CCCC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595288801 347286765 /nfs/dbraw/zinc/28/67/65/347286765.db2.gz OXBGRVDPLNXPFW-UHFFFAOYSA-N 0 1 269.345 3.293 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccccc1 ZINC000595006107 347254444 /nfs/dbraw/zinc/25/44/44/347254444.db2.gz HIIVYNGVEAODIR-LBPRGKRZSA-N 0 1 286.331 3.454 20 5 CGBDMN Cc1noc(CN[C@H](C)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595419933 347300944 /nfs/dbraw/zinc/30/09/44/347300944.db2.gz AXCTYWDKVAOVRW-WDEREUQCSA-N 0 1 289.335 3.173 20 5 CGBDMN Cc1cc(C[C@@H](C)Nc2cc(C)sc2[N+](=O)[O-])[nH]n1 ZINC000596166833 347393337 /nfs/dbraw/zinc/39/33/37/347393337.db2.gz YFNNEQLESHVTSX-SSDOTTSWSA-N 0 1 280.353 3.039 20 5 CGBDMN CC[C@@H](C)c1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000601938631 347926357 /nfs/dbraw/zinc/92/63/57/347926357.db2.gz HMVBUNAGIBQZMJ-SECBINFHSA-N 0 1 275.308 3.042 20 5 CGBDMN CC(C)c1ccc(CN2CCCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611272397 348434124 /nfs/dbraw/zinc/43/41/24/348434124.db2.gz GVBHIDQSKZXZKM-ZDUSSCGKSA-N 0 1 292.379 3.329 20 5 CGBDMN CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000271608314 191239255 /nfs/dbraw/zinc/23/92/55/191239255.db2.gz JPXSHWUIVOMQEB-SECBINFHSA-N 0 1 275.312 3.009 20 5 CGBDMN CCc1nc(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000180022251 189232529 /nfs/dbraw/zinc/23/25/29/189232529.db2.gz QUCQRQKXDKBLSB-VIFPVBQESA-N 0 1 292.364 3.437 20 5 CGBDMN CCc1n[nH]c(S[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000180022251 189232530 /nfs/dbraw/zinc/23/25/30/189232530.db2.gz QUCQRQKXDKBLSB-VIFPVBQESA-N 0 1 292.364 3.437 20 5 CGBDMN COc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087228 368798206 /nfs/dbraw/zinc/79/82/06/368798206.db2.gz FBDDJSCKEFGVNL-LBPRGKRZSA-N 0 1 286.331 3.454 20 5 CGBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000037509473 369088004 /nfs/dbraw/zinc/08/80/04/369088004.db2.gz YZSVSRNXQSFRLB-LLVKDONJSA-N 0 1 272.304 3.151 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cccc(C)c1 ZINC000037871808 369121269 /nfs/dbraw/zinc/12/12/69/369121269.db2.gz RTSBVRPBBNIOPB-UHFFFAOYSA-N 0 1 286.331 3.202 20 5 CGBDMN C[C@H](NCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775506 369108207 /nfs/dbraw/zinc/10/82/07/369108207.db2.gz FDIKOKXJJXYMMW-NSHDSACASA-N 0 1 272.304 3.151 20 5 CGBDMN CN(Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042366496 369217427 /nfs/dbraw/zinc/21/74/27/369217427.db2.gz NEGAGZCHJAKPIX-UHFFFAOYSA-N 0 1 274.295 3.366 20 5 CGBDMN Cc1cc(CNCc2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000048068876 369334972 /nfs/dbraw/zinc/33/49/72/369334972.db2.gz UEUYYYDMQSRHHW-UHFFFAOYSA-N 0 1 286.331 3.207 20 5 CGBDMN Cc1ccc(CN2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000093504380 370137182 /nfs/dbraw/zinc/13/71/82/370137182.db2.gz HHEXAJURKXUAHQ-UHFFFAOYSA-N 0 1 280.393 3.231 20 5 CGBDMN Cc1ccc([C@H](C)NCc2cncs2)cc1[N+](=O)[O-] ZINC000133123013 371228631 /nfs/dbraw/zinc/22/86/31/371228631.db2.gz JAPOBPYLJIPZNX-JTQLQIEISA-N 0 1 277.349 3.211 20 5 CGBDMN CS[C@@H]1CCCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000134558507 371350527 /nfs/dbraw/zinc/35/05/27/371350527.db2.gz LDVJYYUUHZVGQA-LLVKDONJSA-N 0 1 286.422 3.374 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cnn(C)c1 ZINC000163886783 372498304 /nfs/dbraw/zinc/49/83/04/372498304.db2.gz RLJQEIXJGALHCT-NWDGAFQWSA-N 0 1 288.351 3.049 20 5 CGBDMN Cc1ccc(C(C)(C)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000353565282 220159031 /nfs/dbraw/zinc/15/90/31/220159031.db2.gz BAIBNKTXOPUMPF-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN CCCN(CCC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193592337 375896904 /nfs/dbraw/zinc/89/69/04/375896904.db2.gz YXNOVVQICJLZQZ-UHFFFAOYSA-N 0 1 281.312 3.125 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246081258 376962383 /nfs/dbraw/zinc/96/23/83/376962383.db2.gz FIMMOOZBBLKDDI-CABCVRRESA-N 0 1 292.404 3.455 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(F)(F)[C@@H](C)C1 ZINC000518152960 249276071 /nfs/dbraw/zinc/27/60/71/249276071.db2.gz SQTZCQWFPJCSCL-NSHDSACASA-N 0 1 284.306 3.380 20 5 CGBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278757273 194139579 /nfs/dbraw/zinc/13/95/79/194139579.db2.gz MKFLKCBAWSPMTE-SNVBAGLBSA-N 0 1 288.269 3.369 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](CC(F)(F)F)C1 ZINC000278757273 194139581 /nfs/dbraw/zinc/13/95/81/194139581.db2.gz MKFLKCBAWSPMTE-SNVBAGLBSA-N 0 1 288.269 3.369 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CCSC[C@H]2C2CCC2)c1 ZINC000418132024 380708804 /nfs/dbraw/zinc/70/88/04/380708804.db2.gz XSCOVMUJKPDGSP-HNNXBMFYSA-N 0 1 292.404 3.312 20 5 CGBDMN Cc1cc(NCCN2CC=C(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360047739 381423910 /nfs/dbraw/zinc/42/39/10/381423910.db2.gz NHOKVBSYKZRQBV-UHFFFAOYSA-N 0 1 293.342 3.106 20 5 CGBDMN CC[C@]1(C)CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362313288 381938909 /nfs/dbraw/zinc/93/89/09/381938909.db2.gz CETYPOSOORYKDG-OAHLLOKOSA-N 0 1 296.342 3.365 20 5 CGBDMN CC[C@@]1(C)CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362313287 381939642 /nfs/dbraw/zinc/93/96/42/381939642.db2.gz CETYPOSOORYKDG-HNNXBMFYSA-N 0 1 296.342 3.365 20 5 CGBDMN CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291050382 285095138 /nfs/dbraw/zinc/09/51/38/285095138.db2.gz IFNKSALENOYCHE-SNVBAGLBSA-N 0 1 286.759 3.105 20 5 CGBDMN CC(C)[C@@H](C)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505636749 392683922 /nfs/dbraw/zinc/68/39/22/392683922.db2.gz MGCJWYBIMJTZEO-SNVBAGLBSA-N 0 1 254.305 3.210 20 5 CGBDMN CCC1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430216792 393541794 /nfs/dbraw/zinc/54/17/94/393541794.db2.gz HWKMPRFMQYCYRQ-UHFFFAOYSA-N 0 1 278.352 3.225 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCC(C)(C)C1 ZINC000430243296 393548295 /nfs/dbraw/zinc/54/82/95/393548295.db2.gz ZICWYEXIQZVQRU-UHFFFAOYSA-N 0 1 278.352 3.225 20 5 CGBDMN COc1cc(CN2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430285999 393560023 /nfs/dbraw/zinc/56/00/23/393560023.db2.gz WDDFTUZZZPVATE-NSHDSACASA-N 0 1 276.336 3.001 20 5 CGBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@H]2CCC[C@@H]2C1 ZINC000119325836 287168279 /nfs/dbraw/zinc/16/82/79/287168279.db2.gz SKJHWZHMWVIUHW-GHMZBOCLSA-N 0 1 280.755 3.480 20 5 CGBDMN Cc1ccc(CN[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035009921 171927115 /nfs/dbraw/zinc/92/71/15/171927115.db2.gz SZWCQJPLZKCCRV-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1COCc2ccccc21 ZINC000418097948 274723599 /nfs/dbraw/zinc/72/35/99/274723599.db2.gz AJKFPKSRQDSGRY-KRWDZBQOSA-N 0 1 298.342 3.264 20 5 CGBDMN CC[C@](C)(NCc1cc(O)ccc1[N+](=O)[O-])C(F)(F)F 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254.717 3.172 20 5 CGBDMN Cc1ccc(CN2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000482452770 243227770 /nfs/dbraw/zinc/22/77/70/243227770.db2.gz UTADCFACYLMVLG-UHFFFAOYSA-N 0 1 260.337 3.445 20 5 CGBDMN COc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668293 369099075 /nfs/dbraw/zinc/09/90/75/369099075.db2.gz VBOFOCRFODMAFI-LBPRGKRZSA-N 0 1 286.331 3.454 20 5 CGBDMN C[C@@H]1C[C@@H](C)N(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237812 244124912 /nfs/dbraw/zinc/12/49/12/244124912.db2.gz NQWPGWXIRFSHOX-NXEZZACHSA-N 0 1 268.744 3.479 20 5 CGBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2)ccc1F ZINC000049943389 369423722 /nfs/dbraw/zinc/42/37/22/369423722.db2.gz YPCYGWFEWRZXRV-UHFFFAOYSA-N 0 1 274.295 3.332 20 5 CGBDMN CC1(C)C[C@@H](NCc2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132517840 371180776 /nfs/dbraw/zinc/18/07/76/371180776.db2.gz VBBWPQLCLWKPKF-CYBMUJFWSA-N 0 1 296.342 3.170 20 5 CGBDMN CC[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000154578150 371858166 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0 1 264.300 3.110 20 5 CGBDMN CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000357321732 381103212 /nfs/dbraw/zinc/10/32/12/381103212.db2.gz GPZRRPNJFFRVTM-GFCCVEGCSA-N 0 1 278.352 3.225 20 5 CGBDMN CC[C@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361616761 381841011 /nfs/dbraw/zinc/84/10/11/381841011.db2.gz PJCAIBZEMBVWQE-NSHDSACASA-N 0 1 296.342 3.365 20 5 CGBDMN Cc1cccc(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353744460 220294633 /nfs/dbraw/zinc/29/46/33/220294633.db2.gz FPSLJHVPXYQYTN-TWGQIWQCSA-N 0 1 297.358 3.443 20 5 CGBDMN CCO[C@@H]1C[C@H](N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775813 220321812 /nfs/dbraw/zinc/32/18/12/220321812.db2.gz PDFRGWMLHXYCFD-LSDHHAIUSA-N 0 1 292.379 3.230 20 5 CGBDMN O=[N+]([O-])c1ccccc1CNC/C=C/c1ccccc1 ZINC000051790436 392073842 /nfs/dbraw/zinc/07/38/42/392073842.db2.gz OGLFMOGYEJMYSW-RMKNXTFCSA-N 0 1 268.316 3.398 20 5 CGBDMN Cc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000070160147 392178207 /nfs/dbraw/zinc/17/82/07/392178207.db2.gz 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C[C@@H](CN(C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183958395 524576544 /nfs/dbraw/zinc/57/65/44/524576544.db2.gz HELKNPCXFHISTM-NSHDSACASA-N 0 1 291.376 3.287 20 5 CGBDMN CC[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163911697 529200513 /nfs/dbraw/zinc/20/05/13/529200513.db2.gz TYRCSTGHWAFXJA-XHDPSFHLSA-N 0 1 288.351 3.130 20 5 CGBDMN O=[N+]([O-])c1ccc(CNc2nccn2C2CC2)c(Cl)c1 ZINC000840887102 618896253 /nfs/dbraw/zinc/89/62/53/618896253.db2.gz IKXRWCUCEIPCDD-UHFFFAOYSA-N 0 1 292.726 3.392 20 5 CGBDMN C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076889 620272769 /nfs/dbraw/zinc/27/27/69/620272769.db2.gz SUOMNUAENHKSAE-AOOOYVTPSA-N 0 1 268.744 3.336 20 5 CGBDMN C[C@H]1CN(Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076889 620272773 /nfs/dbraw/zinc/27/27/73/620272773.db2.gz SUOMNUAENHKSAE-AOOOYVTPSA-N 0 1 268.744 3.336 20 5 CGBDMN CC1(C)CCC[C@H](CNCc2csc([N+](=O)[O-])c2)O1 ZINC000898049514 620465465 /nfs/dbraw/zinc/46/54/65/620465465.db2.gz 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CCC(CC)C[N@@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000077442028 640238403 /nfs/dbraw/zinc/23/84/03/640238403.db2.gz FAADYKSLVHASDP-UHFFFAOYSA-N 0 1 282.388 3.124 20 5 CGBDMN CCC(CC)CN(CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000077442028 640238408 /nfs/dbraw/zinc/23/84/08/640238408.db2.gz FAADYKSLVHASDP-UHFFFAOYSA-N 0 1 282.388 3.124 20 5 CGBDMN O=[N+]([O-])c1ccc(Cc2nc3ccc(F)cc3[nH]2)cc1 ZINC001250606227 805720800 /nfs/dbraw/zinc/72/08/00/805720800.db2.gz DEEVTGKXILAQAR-UHFFFAOYSA-N 0 1 271.251 3.201 20 5 CGBDMN COc1ccc([N+](=O)[O-])c(-c2nc3ccc(C)cc3[nH]2)c1 ZINC001250869297 805789474 /nfs/dbraw/zinc/78/94/74/805789474.db2.gz SRRQIGTXVZWAMM-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN COc1ccc([N+](=O)[O-])c(-c2nc3cccc(C)c3[nH]2)c1 ZINC001250873312 805791874 /nfs/dbraw/zinc/79/18/74/805791874.db2.gz VDBJPCWXMASYKG-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN COc1c(O)ccc(-c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC001250980526 805815644 /nfs/dbraw/zinc/81/56/44/805815644.db2.gz PVGUBFPAQVJOBT-UHFFFAOYSA-N 0 1 299.286 3.161 20 5 CGBDMN Cc1[nH]c(-c2nc3cc4c(cc3[nH]2)OCC4)c(C)c1[N+](=O)[O-] ZINC001251802165 805937665 /nfs/dbraw/zinc/93/76/65/805937665.db2.gz FMTIFQCQIQCMKC-UHFFFAOYSA-N 0 1 298.302 3.018 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1Nc1cccc2[nH]ncc21 ZINC001159574927 806123560 /nfs/dbraw/zinc/12/35/60/806123560.db2.gz QQAAJGMJMWWWAQ-UHFFFAOYSA-N 0 1 284.275 3.223 20 5 CGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(c2cccnc2)C1 ZINC001254560060 806450874 /nfs/dbraw/zinc/45/08/74/806450874.db2.gz OWXSJCKFPFXZOQ-ZDUSSCGKSA-N 0 1 297.358 3.020 20 5 CGBDMN COc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176843 798862928 /nfs/dbraw/zinc/86/29/28/798862928.db2.gz HLIYCPQTLSQGTC-GFCCVEGCSA-N 0 1 286.331 3.454 20 5 CGBDMN O=C(Oc1cccc(C2CCCCC2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001131299774 803319634 /nfs/dbraw/zinc/31/96/34/803319634.db2.gz LOYACCCLMLMYDO-HUUCEWRRSA-N 0 1 289.331 3.305 20 5 CGBDMN O=[N+]([O-])c1ccc(F)c(Nc2ccc3nccn3c2)c1 ZINC001175736553 809523936 /nfs/dbraw/zinc/52/39/36/809523936.db2.gz ZFQKYJKHBUMUBI-UHFFFAOYSA-N 0 1 272.239 3.125 20 5 CGBDMN COc1ccc(Nc2cnc3cccc(C)n23)cc1[N+](=O)[O-] ZINC001176363484 809678216 /nfs/dbraw/zinc/67/82/16/809678216.db2.gz NSCHAWKLHBOLEH-UHFFFAOYSA-N 0 1 298.302 3.303 20 5 CGBDMN Cc1ccc(Nc2ccnc(Cl)c2O)cc1[N+](=O)[O-] ZINC001213665931 815320309 /nfs/dbraw/zinc/32/03/09/815320309.db2.gz SWVXPUGYQJAQSX-UHFFFAOYSA-N 0 1 279.683 3.401 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cccc3c2CCCO3)ccc1O ZINC001210398983 814445449 /nfs/dbraw/zinc/44/54/49/814445449.db2.gz LOXASMAOPGVPNA-UHFFFAOYSA-N 0 1 286.287 3.369 20 5 CGBDMN CCc1cccc(O)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398861 814445819 /nfs/dbraw/zinc/44/58/19/814445819.db2.gz JFZGZIIIFIZGLG-UHFFFAOYSA-N 0 1 274.276 3.312 20 5 CGBDMN CNc1cccc(C)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210399102 814446297 /nfs/dbraw/zinc/44/62/97/814446297.db2.gz NUTOAWRRTPMJIU-UHFFFAOYSA-N 0 1 273.292 3.394 20 5 CGBDMN Cc1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1F ZINC001210400139 814446450 /nfs/dbraw/zinc/44/64/50/814446450.db2.gz CBTQIFIUTFCZTG-UHFFFAOYSA-N 0 1 262.240 3.492 20 5 CGBDMN C[C@@H]1CCCC[C@H]1Oc1cc(O)ccc1[N+](=O)[O-] ZINC001225492033 817073883 /nfs/dbraw/zinc/07/38/83/817073883.db2.gz VEBMQJIMDOZXTP-BXKDBHETSA-N 0 1 251.282 3.258 20 5 CGBDMN CC[C@H](C)[C@@H](C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242022 817848820 /nfs/dbraw/zinc/84/88/20/817848820.db2.gz IQCLAQVKDAIFQD-DTWKUNHWSA-N 0 1 291.307 3.057 20 5 CGBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@@H]2CCC=CCCC2)n1 ZINC001231263338 818068291 /nfs/dbraw/zinc/06/82/91/818068291.db2.gz JETKRWIADIKGJN-LLVKDONJSA-N 0 1 278.308 3.272 20 5 CGBDMN C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC001458129011 937451994 /nfs/dbraw/zinc/45/19/94/937451994.db2.gz VBBBHCWXIFNTQS-QWRGUYRKSA-N 0 1 283.397 3.189 20 5 CGBDMN CCCCC[C@H](CC)Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-] ZINC001229383339 932142381 /nfs/dbraw/zinc/14/23/81/932142381.db2.gz ZSUPDMCSJXJYOM-JTQLQIEISA-N 0 1 283.328 3.137 20 5 CGBDMN Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001231059062 932669039 /nfs/dbraw/zinc/66/90/39/932669039.db2.gz FZIVYXGJKWDEKT-CYBMUJFWSA-N 0 1 278.352 3.073 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC/C=C/C1CC1 ZINC001327594796 935072708 /nfs/dbraw/zinc/07/27/08/935072708.db2.gz DNEXISBPDNPGLW-PGLGOXFNSA-N 0 1 276.336 3.220 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CC[C@H](C3CCC3)C2)cs1 ZINC000591062206 346898168 /nfs/dbraw/zinc/89/81/68/346898168.db2.gz XPNUXKPJDJIIKP-LBPRGKRZSA-N 0 1 266.366 3.278 20 5 CGBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(CF)CC1 ZINC000295012613 199299685 /nfs/dbraw/zinc/29/96/85/199299685.db2.gz JORGRBOTHAEBDL-HWKANZROSA-N 0 1 278.327 3.290 20 5 CGBDMN CN(C)c1ccccc1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072582868 345413613 /nfs/dbraw/zinc/41/36/13/345413613.db2.gz SBPCVTZQUKJZDE-UHFFFAOYSA-N 0 1 299.374 3.293 20 5 CGBDMN CCOC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075645247 345517251 /nfs/dbraw/zinc/51/72/51/345517251.db2.gz FGDQRBLEMYHCST-LBPRGKRZSA-N 0 1 278.352 3.157 20 5 CGBDMN Cc1c(CN(C)[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127548236 187315344 /nfs/dbraw/zinc/31/53/44/187315344.db2.gz PPGXSZDOHZPZOH-ZDUSSCGKSA-N 0 1 285.347 3.491 20 5 CGBDMN C[C@@H]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984476 347249328 /nfs/dbraw/zinc/24/93/28/347249328.db2.gz IPENWZROSUONTF-MFKMUULPSA-N 0 1 298.770 3.295 20 5 CGBDMN Cc1noc(CN[C@@H](C)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595419931 347300983 /nfs/dbraw/zinc/30/09/83/347300983.db2.gz AXCTYWDKVAOVRW-MNOVXSKESA-N 0 1 289.335 3.173 20 5 CGBDMN Cc1c([C@H](C)NCC(C)(C)F)cccc1[N+](=O)[O-] ZINC000601287800 347888895 /nfs/dbraw/zinc/88/88/95/347888895.db2.gz MGQUAZVHASDUAQ-JTQLQIEISA-N 0 1 254.305 3.302 20 5 CGBDMN C[C@@H]1C[C@@H](C)N(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133415 348364000 /nfs/dbraw/zinc/36/40/00/348364000.db2.gz OAFKJHUMZQHIOH-NXEZZACHSA-N 0 1 268.744 3.479 20 5 CGBDMN CC[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581403 348391162 /nfs/dbraw/zinc/39/11/62/348391162.db2.gz SXUQROGBQMOTKM-JTQLQIEISA-N 0 1 275.308 3.110 20 5 CGBDMN C[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501828 348457017 /nfs/dbraw/zinc/45/70/17/348457017.db2.gz ISNLZLBFDPWXEN-WFASDCNBSA-N 0 1 296.342 3.044 20 5 CGBDMN Cc1cc(N2CC=CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931043 348480742 /nfs/dbraw/zinc/48/07/42/348480742.db2.gz KBSWGAQZGDIIIA-UHFFFAOYSA-N 0 1 269.304 3.218 20 5 CGBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000358003667 233035728 /nfs/dbraw/zinc/03/57/28/233035728.db2.gz JIRXJPBMFVIGNF-LBPRGKRZSA-N 0 1 298.342 3.476 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CNc1ccnc(C)c1Cl ZINC000616955443 348886605 /nfs/dbraw/zinc/88/66/05/348886605.db2.gz VNGFLLJVTFYIFI-UHFFFAOYSA-N 0 1 291.738 3.294 20 5 CGBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(CCC4)C3)nc2c1 ZINC000123184640 187076219 /nfs/dbraw/zinc/07/62/19/187076219.db2.gz WRFADFPBHJTTPS-UHFFFAOYSA-N 0 1 287.319 3.112 20 5 CGBDMN COC[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122623016 187041855 /nfs/dbraw/zinc/04/18/55/187041855.db2.gz PURWSEANJRZZDF-LBPRGKRZSA-N 0 1 298.770 3.107 20 5 CGBDMN Cc1nc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)cs1 ZINC000271497700 191175360 /nfs/dbraw/zinc/17/53/60/191175360.db2.gz LSOFRKOGLNIMAH-JTQLQIEISA-N 0 1 291.376 3.253 20 5 CGBDMN CSCCN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302084245 201337903 /nfs/dbraw/zinc/33/79/03/201337903.db2.gz MTBIFGSDLNJWHJ-UHFFFAOYSA-N 0 1 291.376 3.251 20 5 CGBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC4(CC4)C3)o2)c1 ZINC000449370454 239354733 /nfs/dbraw/zinc/35/47/33/239354733.db2.gz JZEIVXVGJDLTLO-UHFFFAOYSA-N 0 1 284.315 3.451 20 5 CGBDMN Cc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788118 372631321 /nfs/dbraw/zinc/63/13/21/372631321.db2.gz BSCOBMWECVCWOH-HNNXBMFYSA-N 0 1 289.379 3.332 20 5 CGBDMN CC1(C)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171671568 372803780 /nfs/dbraw/zinc/80/37/80/372803780.db2.gz FBTZHAPACYXIHI-UHFFFAOYSA-N 0 1 252.289 3.108 20 5 CGBDMN C[C@H](c1ccncc1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000171921052 372854224 /nfs/dbraw/zinc/85/42/24/372854224.db2.gz VCZNVWXPUNCPAQ-GFCCVEGCSA-N 0 1 271.320 3.183 20 5 CGBDMN COCC1=CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185887143 374761781 /nfs/dbraw/zinc/76/17/81/374761781.db2.gz SVRARMYXUVKXIZ-CYBMUJFWSA-N 0 1 290.363 3.243 20 5 CGBDMN COc1cc(CN2CC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678279 374891674 /nfs/dbraw/zinc/89/16/74/374891674.db2.gz ONZPKDFMCDXVCP-NSHDSACASA-N 0 1 296.342 3.220 20 5 CGBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489888452 375319594 /nfs/dbraw/zinc/31/95/94/375319594.db2.gz RSWAAAGJDQKWLM-UHFFFAOYSA-N 0 1 266.316 3.498 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cccc(O)c1 ZINC000195454684 376106198 /nfs/dbraw/zinc/10/61/98/376106198.db2.gz AKGNVGQWARLLIV-LBPRGKRZSA-N 0 1 286.331 3.460 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000338894269 376563311 /nfs/dbraw/zinc/56/33/11/376563311.db2.gz XHOIDXCBDMTVSU-IUODEOHRSA-N 0 1 290.363 3.455 20 5 CGBDMN C[C@H](CC(F)(F)F)NCc1csc([N+](=O)[O-])c1 ZINC000231750803 376570869 /nfs/dbraw/zinc/57/08/69/376570869.db2.gz UUFGRNHMBWYBJX-ZCFIWIBFSA-N 0 1 268.260 3.087 20 5 CGBDMN CC1(C)C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000339715284 376819090 /nfs/dbraw/zinc/81/90/90/376819090.db2.gz GHLZWPCAOARVPL-HIFRSBDPSA-N 0 1 290.363 3.311 20 5 CGBDMN C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000246562299 377053024 /nfs/dbraw/zinc/05/30/24/377053024.db2.gz DONKBQNILSTOGJ-ZJUUUORDSA-N 0 1 254.355 3.277 20 5 CGBDMN CCOCCN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270690438 378389356 /nfs/dbraw/zinc/38/93/56/378389356.db2.gz CBPOAJOIOACUJW-LBPRGKRZSA-N 0 1 266.341 3.014 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000400901601 379954753 /nfs/dbraw/zinc/95/47/53/379954753.db2.gz NGNGYEHAAZIRBY-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000360124315 381454460 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347753322 /nfs/dbraw/zinc/75/33/22/347753322.db2.gz JOQLWWODRQHPFT-UHFFFAOYSA-N 0 1 270.279 3.216 20 5 CGBDMN CCCc1c(C)[nH]n(-c2ccc([N+](=O)[O-])cc2C)c1=O ZINC000601943466 347927831 /nfs/dbraw/zinc/92/78/31/347927831.db2.gz QIHUOIDZWNVRGO-GFCCVEGCSA-N 0 1 275.308 3.042 20 5 CGBDMN CC(C)C[C@@H]1C[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602689250 348009963 /nfs/dbraw/zinc/00/99/63/348009963.db2.gz AUQTWGOEXLWXNE-ZYHUDNBSSA-N 0 1 289.335 3.260 20 5 CGBDMN O=[N+]([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)c(F)c1 ZINC000608909495 348333699 /nfs/dbraw/zinc/33/36/99/348333699.db2.gz TYFBHBPEFWVTNA-UHFFFAOYSA-N 0 1 299.265 3.058 20 5 CGBDMN CCN(Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000609144042 348337522 /nfs/dbraw/zinc/33/75/22/348337522.db2.gz GXZKDNGJRJQXIS-UHFFFAOYSA-N 0 1 266.316 3.498 20 5 CGBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000610476285 348383921 /nfs/dbraw/zinc/38/39/21/348383921.db2.gz TWHDKEJSHYYNES-UHFFFAOYSA-N 0 1 296.342 3.125 20 5 CGBDMN CCOC[C@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154133198 188125020 /nfs/dbraw/zinc/12/50/20/188125020.db2.gz LCGGCUONOAPKRG-LBPRGKRZSA-N 0 1 298.770 3.107 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CC(C3CCCC3)C2)c1 ZINC000459613026 242147149 /nfs/dbraw/zinc/14/71/49/242147149.db2.gz NCHJUYWAOWYGMB-UHFFFAOYSA-N 0 1 260.337 3.217 20 5 CGBDMN CC[C@@H](NCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037010536 369052002 /nfs/dbraw/zinc/05/20/02/369052002.db2.gz BIZBZUSJRRGLQZ-OAHLLOKOSA-N 0 1 271.320 3.231 20 5 CGBDMN CC[C@H]1CCCN1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000330910007 203380750 /nfs/dbraw/zinc/38/07/50/203380750.db2.gz FKIHKDFSYWDKED-NSHDSACASA-N 0 1 282.315 3.117 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCc2cc(F)c(F)c(F)c2)cc1 ZINC000062707802 369629096 /nfs/dbraw/zinc/62/90/96/369629096.db2.gz UQEQMAVFUWHAHT-UHFFFAOYSA-N 0 1 296.248 3.302 20 5 CGBDMN Cc1c(CN2CCS[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417601 370614776 /nfs/dbraw/zinc/61/47/76/370614776.db2.gz NGYMPTFGGIGQHA-RYUDHWBXSA-N 0 1 280.393 3.229 20 5 CGBDMN CS[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134609133 371352861 /nfs/dbraw/zinc/35/28/61/371352861.db2.gz XIDZYAIRGVHBHF-CYBMUJFWSA-N 0 1 298.383 3.451 20 5 CGBDMN CS[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134609156 371353559 /nfs/dbraw/zinc/35/35/59/371353559.db2.gz XIDZYAIRGVHBHF-ZDUSSCGKSA-N 0 1 298.383 3.451 20 5 CGBDMN CC[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000154578040 371858186 /nfs/dbraw/zinc/85/81/86/371858186.db2.gz ZZHGJNVEPVGVES-SECBINFHSA-N 0 1 288.294 3.427 20 5 CGBDMN COC[C@]1(C)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294189494 372607808 /nfs/dbraw/zinc/60/78/08/372607808.db2.gz KWUNSHCZURSPSG-CQSZACIVSA-N 0 1 298.770 3.107 20 5 CGBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000344591164 217241052 /nfs/dbraw/zinc/24/10/52/217241052.db2.gz MGLXMJRNRLNKTF-OAHLLOKOSA-N 0 1 271.320 3.231 20 5 CGBDMN CCn1cc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000295916617 372957991 /nfs/dbraw/zinc/95/79/91/372957991.db2.gz FBOLDOHJVQOWJK-VXGBXAGGSA-N 0 1 288.351 3.223 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCCC23CCC3)c(F)c1 ZINC000444787469 373275101 /nfs/dbraw/zinc/27/51/01/373275101.db2.gz RJLMAIUBHJOWRU-UHFFFAOYSA-N 0 1 264.300 3.252 20 5 CGBDMN Cc1nn(C)cc1[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178721973 373806107 /nfs/dbraw/zinc/80/61/07/373806107.db2.gz QSOVESRFRLSDKS-MNOVXSKESA-N 0 1 288.351 3.049 20 5 CGBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000182164780 374227243 /nfs/dbraw/zinc/22/72/43/374227243.db2.gz RHUQZYRFOBIZRB-UHFFFAOYSA-N 0 1 268.744 3.480 20 5 CGBDMN C[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1F ZINC000311908245 374262143 /nfs/dbraw/zinc/26/21/43/374262143.db2.gz GWFLMLQAJCUGKU-SSDOTTSWSA-N 0 1 280.221 3.164 20 5 CGBDMN Cc1sccc1CNCc1ccccc1[N+](=O)[O-] ZINC000311181394 374235761 /nfs/dbraw/zinc/23/57/61/374235761.db2.gz YUUYDVDTCNCWEB-UHFFFAOYSA-N 0 1 262.334 3.255 20 5 CGBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000183747767 374452111 /nfs/dbraw/zinc/45/21/11/374452111.db2.gz SAIBLPNNTYFYCT-GQCTYLIASA-N 0 1 283.331 3.135 20 5 CGBDMN CC[C@H]1CCCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330563526 374481416 /nfs/dbraw/zinc/48/14/16/374481416.db2.gz DIDIBVBBVFJAGG-LBPRGKRZSA-N 0 1 264.325 3.065 20 5 CGBDMN C[C@@H]1CCC[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000336811965 375964675 /nfs/dbraw/zinc/96/46/75/375964675.db2.gz PLVYNKAYBMKUMN-PHIMTYICSA-N 0 1 266.316 3.497 20 5 CGBDMN C=Cn1cc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194354836 375990009 /nfs/dbraw/zinc/99/00/09/375990009.db2.gz JAQHSBYCVKWPBA-OAHLLOKOSA-N 0 1 286.335 3.133 20 5 CGBDMN Cc1cnccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000229659187 376467831 /nfs/dbraw/zinc/46/78/31/376467831.db2.gz PRYDIUMFYRLEQW-LBPRGKRZSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1c(CN2CCS[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246382810 377020416 /nfs/dbraw/zinc/02/04/16/377020416.db2.gz NGYMPTFGGIGQHA-VXGBXAGGSA-N 0 1 280.393 3.229 20 5 CGBDMN COc1ccc(C2(NCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000517581847 249267898 /nfs/dbraw/zinc/26/78/98/249267898.db2.gz PHBLKBNASVGASJ-UHFFFAOYSA-N 0 1 298.342 3.382 20 5 CGBDMN Cc1nc([C@H](C)NCCc2ccccc2[N+](=O)[O-])cs1 ZINC000269385818 378215151 /nfs/dbraw/zinc/21/51/51/378215151.db2.gz AUMCIIBNZIEPEM-JTQLQIEISA-N 0 1 291.376 3.253 20 5 CGBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(C3CCCC3)no2)c1 ZINC000275086541 378937068 /nfs/dbraw/zinc/93/70/68/378937068.db2.gz JOTAFHJRQLVYGG-UHFFFAOYSA-N 0 1 275.264 3.008 20 5 CGBDMN CC[C@H](CC(F)(F)F)NCc1csc([N+](=O)[O-])c1 ZINC000354671102 380523786 /nfs/dbraw/zinc/52/37/86/380523786.db2.gz JQGROMHEKSOXDW-MRVPVSSYSA-N 0 1 282.287 3.477 20 5 CGBDMN CC[C@@H]1CC[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558008 381209619 /nfs/dbraw/zinc/20/96/19/381209619.db2.gz ZLBLECOKUKCUJW-WDEREUQCSA-N 0 1 266.316 3.497 20 5 CGBDMN COc1cc(CN2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000361649679 381858316 /nfs/dbraw/zinc/85/83/16/381858316.db2.gz FZYIAGMCCNZEAM-LLVKDONJSA-N 0 1 296.342 3.365 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCC[C@@H]1F)CCC2 ZINC000340523018 285145262 /nfs/dbraw/zinc/14/52/62/285145262.db2.gz MARVAWODRBQGTO-RRFJBIMHSA-N 0 1 278.327 3.452 20 5 CGBDMN CO[C@@H]1CCCC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000361763744 392317103 /nfs/dbraw/zinc/31/71/03/392317103.db2.gz FWBNCTKFWHQBMK-TZMCWYRMSA-N 0 1 298.770 3.295 20 5 CGBDMN CO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371737009 392551417 /nfs/dbraw/zinc/55/14/17/392551417.db2.gz ZRFUWKSTQQKSOB-ZDUSSCGKSA-N 0 1 298.770 3.249 20 5 CGBDMN Cc1cccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192706983 392858758 /nfs/dbraw/zinc/85/87/58/392858758.db2.gz NPUREKOECYBNMJ-KRWDZBQOSA-N 0 1 297.358 3.465 20 5 CGBDMN CC(C)CO[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350107 393196541 /nfs/dbraw/zinc/19/65/41/393196541.db2.gz DFIYIWQGUKPOTK-KBPBESRZSA-N 0 1 292.379 3.403 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccccc1 ZINC000430211766 393540445 /nfs/dbraw/zinc/54/04/45/393540445.db2.gz YTBNPPUQFMSIBA-LBPRGKRZSA-N 0 1 286.331 3.454 20 5 CGBDMN COc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000490100410 393631705 /nfs/dbraw/zinc/63/17/05/393631705.db2.gz HZQMJECGDJRVSO-CYBMUJFWSA-N 0 1 278.352 3.081 20 5 CGBDMN Cc1ccc(NCCc2ccc3cn[nH]c3c2)c([N+](=O)[O-])c1 ZINC000588048654 397713947 /nfs/dbraw/zinc/71/39/47/397713947.db2.gz CSHSIOBVBKXMFY-UHFFFAOYSA-N 0 1 296.330 3.434 20 5 CGBDMN COc1ccc(CNCc2cscc2C)cc1[N+](=O)[O-] ZINC000094880997 165395744 /nfs/dbraw/zinc/39/57/44/165395744.db2.gz AGTCIBUUYVUCIA-UHFFFAOYSA-N 0 1 292.360 3.263 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000037319172 173119078 /nfs/dbraw/zinc/11/90/78/173119078.db2.gz VDBMKRJZNZNJEO-LBPRGKRZSA-N 0 1 286.331 3.460 20 5 CGBDMN COc1cccc(CNCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000037487095 173230311 /nfs/dbraw/zinc/23/03/11/173230311.db2.gz SDJNEKXTDOJXAQ-UHFFFAOYSA-N 0 1 286.331 3.202 20 5 CGBDMN Cc1ncc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037797668 173732419 /nfs/dbraw/zinc/73/24/19/173732419.db2.gz PWTBJTSACHBOOY-SECBINFHSA-N 0 1 277.349 3.211 20 5 CGBDMN C[C@@H]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000482859628 274302559 /nfs/dbraw/zinc/30/25/59/274302559.db2.gz SHFXPMPUTXCNHL-ZJUUUORDSA-N 0 1 268.744 3.479 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCC(F)(F)C1)CC2 ZINC000450488631 275037645 /nfs/dbraw/zinc/03/76/45/275037645.db2.gz VSQQLHWDPFKTNQ-NSHDSACASA-N 0 1 296.317 3.388 20 5 CGBDMN C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338981121 278107611 /nfs/dbraw/zinc/10/76/11/278107611.db2.gz MYOQOKLQLALKBZ-GFCCVEGCSA-N 0 1 298.342 3.420 20 5 CGBDMN C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338981121 278107612 /nfs/dbraw/zinc/10/76/12/278107612.db2.gz MYOQOKLQLALKBZ-GFCCVEGCSA-N 0 1 298.342 3.420 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@H]1CCC(F)(F)C1)C2 ZINC000568592474 322214915 /nfs/dbraw/zinc/21/49/15/322214915.db2.gz ZOVRAEHYLZGZDK-NSHDSACASA-N 0 1 296.317 3.388 20 5 CGBDMN C[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000576230821 335174813 /nfs/dbraw/zinc/17/48/13/335174813.db2.gz PNNIJNOLGBCBIL-MRVPVSSYSA-N 0 1 272.295 3.397 20 5 CGBDMN CCc1ccccc1CNCc1ccccc1[N+](=O)[O-] ZINC000052203208 521839834 /nfs/dbraw/zinc/83/98/34/521839834.db2.gz RJEKFRVJFYYGHT-UHFFFAOYSA-N 0 1 270.332 3.447 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1cccnc1 ZINC000183717876 525564169 /nfs/dbraw/zinc/56/41/69/525564169.db2.gz XWXJHWUBAHUNNZ-CYBMUJFWSA-N 0 1 285.347 3.491 20 5 CGBDMN O=[N+]([O-])c1ccc2oc(CN3CCCCCC3)nc2c1 ZINC000083126832 527381847 /nfs/dbraw/zinc/38/18/47/527381847.db2.gz XSBCSUXKSUQSJZ-UHFFFAOYSA-N 0 1 275.308 3.112 20 5 CGBDMN C[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000741790949 572529146 /nfs/dbraw/zinc/52/91/46/572529146.db2.gz OIQQTFZKGKIBTJ-GHMZBOCLSA-N 0 1 266.316 3.354 20 5 CGBDMN C[C@@H]1CC[C@H](C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000743872755 572694763 /nfs/dbraw/zinc/69/47/63/572694763.db2.gz BTHPDWFDWBHLGL-WDEREUQCSA-N 0 1 266.316 3.354 20 5 CGBDMN CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOC1 ZINC000735492291 572725997 /nfs/dbraw/zinc/72/59/97/572725997.db2.gz HOSFGWGKZGPCEQ-LLVKDONJSA-N 0 1 298.770 3.107 20 5 CGBDMN CCOC(CN[C@H](CC)c1cccc([N+](=O)[O-])c1)OCC ZINC000093446996 619195655 /nfs/dbraw/zinc/19/56/55/619195655.db2.gz SFSVYOQLRAOQDN-CQSZACIVSA-N 0 1 296.367 3.035 20 5 CGBDMN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000072727630 625344241 /nfs/dbraw/zinc/34/42/41/625344241.db2.gz OVFWXDALWNRJLT-JTQLQIEISA-N 0 1 291.738 3.494 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CSc1nc(C2CC2)n[nH]1 ZINC000192450671 620384066 /nfs/dbraw/zinc/38/40/66/620384066.db2.gz VWZSTUCFGAGHAD-UHFFFAOYSA-N 0 1 294.311 3.022 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CSc1n[nH]c(C2CC2)n1 ZINC000192450671 620384067 /nfs/dbraw/zinc/38/40/67/620384067.db2.gz VWZSTUCFGAGHAD-UHFFFAOYSA-N 0 1 294.311 3.022 20 5 CGBDMN C[C@H](NCc1cccc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922149931 625973210 /nfs/dbraw/zinc/97/32/10/625973210.db2.gz OGYOKOFPLSHVHT-LBPRGKRZSA-N 0 1 298.342 3.381 20 5 CGBDMN CC[C@@]1(C)CCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000758749266 626858567 /nfs/dbraw/zinc/85/85/67/626858567.db2.gz VJMPPIWKQIIMJI-AWEZNQCLSA-N 0 1 266.316 3.356 20 5 CGBDMN Cc1cccc(CCCOC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000782673506 628659443 /nfs/dbraw/zinc/65/94/43/628659443.db2.gz RWVILBRBZKICOZ-UHFFFAOYSA-N 0 1 288.303 3.021 20 5 CGBDMN Cc1cc(C)c(COC(=O)c2ccc([N+](=O)[O-])[nH]2)c(F)c1 ZINC000786584477 628949612 /nfs/dbraw/zinc/94/96/12/628949612.db2.gz XALAWBARUGJJAP-UHFFFAOYSA-N 0 1 292.266 3.036 20 5 CGBDMN CC1=CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797823182 629988409 /nfs/dbraw/zinc/98/84/09/629988409.db2.gz NCFZLPOLTZORTG-UHFFFAOYSA-N 0 1 298.346 3.068 20 5 CGBDMN C[C@@H](NCc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555868 631794184 /nfs/dbraw/zinc/79/41/84/631794184.db2.gz JIQASALJFMBRCQ-SNVBAGLBSA-N 0 1 289.310 3.167 20 5 CGBDMN CCN(CCSC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830999921 633909261 /nfs/dbraw/zinc/90/92/61/633909261.db2.gz ZCBKRARLVJGGKN-UHFFFAOYSA-N 0 1 288.800 3.433 20 5 CGBDMN CCC(CC)[C@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033616 633951778 /nfs/dbraw/zinc/95/17/78/633951778.db2.gz CPTOWEOYWVGVEN-QMTHXVAHSA-N 0 1 298.358 3.182 20 5 CGBDMN C[C@@H](NC1(C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872055882 633979056 /nfs/dbraw/zinc/97/90/56/633979056.db2.gz MYCXCPTXYBLKDE-SECBINFHSA-N 0 1 264.300 3.327 20 5 CGBDMN CCC[C@H](C)[C@@H](CO)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081732 634006934 /nfs/dbraw/zinc/00/69/34/634006934.db2.gz JVVRKGJYZNNZOS-DMDPSCGWSA-N 0 1 298.358 3.182 20 5 CGBDMN C[C@H](NCC1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000846850799 636259398 /nfs/dbraw/zinc/25/93/98/636259398.db2.gz SLEAUHSNQIGCBX-VIFPVBQESA-N 0 1 299.168 3.173 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCc2cccc(O)c2)cc1Cl ZINC000131063810 636549350 /nfs/dbraw/zinc/54/93/50/636549350.db2.gz MPUJVRIXSBHPDP-UHFFFAOYSA-N 0 1 292.722 3.244 20 5 CGBDMN CN(CCCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885953756 637329423 /nfs/dbraw/zinc/32/94/23/637329423.db2.gz FGSDMEREHUKSHZ-UHFFFAOYSA-N 0 1 285.347 3.054 20 5 CGBDMN CCS[C@H]1CC[C@@H](N(C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027284 637374141 /nfs/dbraw/zinc/37/41/41/637374141.db2.gz CZNARKREJSMENJ-OLZOCXBDSA-N 0 1 295.408 3.096 20 5 CGBDMN Cc1ccccc1C1(NCc2cccnc2[N+](=O)[O-])CCC1 ZINC000886267111 637472797 /nfs/dbraw/zinc/47/27/97/637472797.db2.gz GEEHTJZKMBALCU-UHFFFAOYSA-N 0 1 297.358 3.467 20 5 CGBDMN Cc1cc(C)nc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932176684 639288067 /nfs/dbraw/zinc/28/80/67/639288067.db2.gz MFMRRNLJJLGHTP-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN COc1cc2[nH]c(-c3cccc([N+](=O)[O-])c3N)nc2cc1C ZINC001250953193 805807822 /nfs/dbraw/zinc/80/78/22/805807822.db2.gz RMUDFEJZCBDIRV-UHFFFAOYSA-N 0 1 298.302 3.037 20 5 CGBDMN COc1cc2nc(-c3ccc([N+](=O)[O-])cc3O)[nH]c2cc1C ZINC001251009068 805828013 /nfs/dbraw/zinc/82/80/13/805828013.db2.gz CGDIWLYFRSPJDY-UHFFFAOYSA-N 0 1 299.286 3.161 20 5 CGBDMN Cc1nc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC001254534030 806444242 /nfs/dbraw/zinc/44/42/42/806444242.db2.gz RTWVKAXUICXRGF-SNVBAGLBSA-N 0 1 291.376 3.081 20 5 CGBDMN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001254538098 806446336 /nfs/dbraw/zinc/44/63/36/806446336.db2.gz OSYGNXAVWRSQHO-WDEREUQCSA-N 0 1 291.376 3.333 20 5 CGBDMN C[C@H](N[C@@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222335 799635431 /nfs/dbraw/zinc/63/54/31/799635431.db2.gz LJSQZTPEHHOFOP-IINYFYTJSA-N 0 1 286.335 3.046 20 5 CGBDMN CCN1CC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000712551650 800093186 /nfs/dbraw/zinc/09/31/86/800093186.db2.gz YYZFELWLMNOWLB-JTQLQIEISA-N 0 1 285.294 3.039 20 5 CGBDMN Cc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC001179028149 809900491 /nfs/dbraw/zinc/90/04/91/809900491.db2.gz MEIBZXJYDUCINM-UHFFFAOYSA-N 0 1 285.347 3.205 20 5 CGBDMN CC(=O)Nc1cccc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210394621 814442606 /nfs/dbraw/zinc/44/26/06/814442606.db2.gz DAOJERUOWQEHQB-UHFFFAOYSA-N 0 1 287.275 3.002 20 5 CGBDMN CCn1ncc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC001210397463 814444319 /nfs/dbraw/zinc/44/43/19/814444319.db2.gz BCACKWJEMUIVHZ-UHFFFAOYSA-N 0 1 298.302 3.414 20 5 CGBDMN CCn1cc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc2n1 ZINC001210397708 814444719 /nfs/dbraw/zinc/44/47/19/814444719.db2.gz FDYTTYLNXBKTAU-UHFFFAOYSA-N 0 1 298.302 3.414 20 5 CGBDMN Cc1c2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc2nn1C ZINC001210400935 814447607 /nfs/dbraw/zinc/44/76/07/814447607.db2.gz OCOVNOZPYRBXSD-UHFFFAOYSA-N 0 1 298.302 3.239 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2ccnn2-c2ccncc2)ccc1F ZINC001211191342 814844519 /nfs/dbraw/zinc/84/45/19/814844519.db2.gz SKRDKYZXNMSMME-UHFFFAOYSA-N 0 1 299.265 3.058 20 5 CGBDMN CC[C@@H](Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC001227095425 817556225 /nfs/dbraw/zinc/55/62/25/817556225.db2.gz JFGVWRMLIKZZEY-GFCCVEGCSA-N 0 1 291.307 3.057 20 5 CGBDMN C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c([O-])cc1Cl ZINC001227644921 817687076 /nfs/dbraw/zinc/68/70/76/817687076.db2.gz DNEIGTVABMUKKY-MRVPVSSYSA-O 0 1 279.187 3.173 20 5 CGBDMN CC[C@@H](C)[C@H](C)Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21 ZINC001228242021 817848060 /nfs/dbraw/zinc/84/80/60/817848060.db2.gz IQCLAQVKDAIFQD-BDAKNGLRSA-N 0 1 291.307 3.057 20 5 CGBDMN CCCCC[C@@H](C)Oc1nc(C2CC2)[nH]c(=O)c1[N+](=O)[O-] ZINC001228603926 817951555 /nfs/dbraw/zinc/95/15/55/817951555.db2.gz NMEIJLAVQOZSOU-SECBINFHSA-N 0 1 295.339 3.315 20 5 CGBDMN CC[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001459983908 937509167 /nfs/dbraw/zinc/50/91/67/937509167.db2.gz LVMSSBBQJGLLOE-QWRGUYRKSA-N 0 1 288.351 3.092 20 5 CGBDMN Cc1cc(Nc2ccc3nccn3c2)ccc1[N+](=O)[O-] ZINC001307171099 932774400 /nfs/dbraw/zinc/77/44/00/932774400.db2.gz KSRHTOCMVVNWSH-UHFFFAOYSA-N 0 1 268.276 3.295 20 5 CGBDMN C=C/C=C\CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473217731 937798248 /nfs/dbraw/zinc/79/82/48/937798248.db2.gz KEPMNPDVCLSJOW-ARJAWSKDSA-N 0 1 258.321 3.085 20 5 CGBDMN CC[C@@H]1COC(C)(C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000593056409 347033445 /nfs/dbraw/zinc/03/34/45/347033445.db2.gz IAHZXHYLXKLQHW-CQSZACIVSA-N 0 1 292.379 3.027 20 5 CGBDMN COCCN(Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000054174668 345130192 /nfs/dbraw/zinc/13/01/92/345130192.db2.gz ABWOGGLQCQJJMA-UHFFFAOYSA-N 0 1 284.381 3.047 20 5 CGBDMN CC[C@H]1C[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000075021393 345489679 /nfs/dbraw/zinc/48/96/79/345489679.db2.gz YNWYLLYADASUDL-KOLCDFICSA-N 0 1 254.355 3.277 20 5 CGBDMN C[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083127487 345724514 /nfs/dbraw/zinc/72/45/14/345724514.db2.gz VWHSJJQCQCSAGI-JTQLQIEISA-N 0 1 275.308 3.110 20 5 CGBDMN CC[C@@H](NCc1ccnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000119481570 345993278 /nfs/dbraw/zinc/99/32/78/345993278.db2.gz GEPQPPWFULVNOK-OAHLLOKOSA-N 0 1 288.351 3.052 20 5 CGBDMN CCC(CC)N(CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000314251526 535051257 /nfs/dbraw/zinc/05/12/57/535051257.db2.gz YKRAMKFNGHMBLH-UHFFFAOYSA-N 0 1 298.358 3.371 20 5 CGBDMN C[C@H]1CCCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593737779 347109496 /nfs/dbraw/zinc/10/94/96/347109496.db2.gz UDIGLNKKPLDGNX-NSHDSACASA-N 0 1 292.335 3.058 20 5 CGBDMN C[C@H]1CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119211060 370655629 /nfs/dbraw/zinc/65/56/29/370655629.db2.gz QXSXWRKFCLNWLF-NSHDSACASA-N 0 1 287.319 3.234 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC(F)(F)F ZINC000595013364 347257131 /nfs/dbraw/zinc/25/71/31/347257131.db2.gz HRSGIJADTXMXMV-QMMMGPOBSA-N 0 1 292.257 3.206 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CSC1(C)C ZINC000595039085 347265580 /nfs/dbraw/zinc/26/55/80/347265580.db2.gz NFZJGRUOKLXHMR-NOZJJQNGSA-N 0 1 296.392 3.148 20 5 CGBDMN COCC1(NCc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000595911894 347371881 /nfs/dbraw/zinc/37/18/81/347371881.db2.gz TWUHDYAZTITLIY-UHFFFAOYSA-N 0 1 296.342 3.173 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[C@@]21C ZINC000599674878 347764214 /nfs/dbraw/zinc/76/42/14/347764214.db2.gz JUCKEMGSJAKUQN-BBRMVZONSA-N 0 1 290.363 3.368 20 5 CGBDMN O=C1[C@@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cc1F ZINC000601941540 347926902 /nfs/dbraw/zinc/92/69/02/347926902.db2.gz CUROXQLKIMILJP-SNVBAGLBSA-N 0 1 291.282 3.017 20 5 CGBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1F)CCCCC2 ZINC000601941540 347926904 /nfs/dbraw/zinc/92/69/04/347926904.db2.gz CUROXQLKIMILJP-SNVBAGLBSA-N 0 1 291.282 3.017 20 5 CGBDMN CCCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2F)c(=O)c1C ZINC000601944204 347927988 /nfs/dbraw/zinc/92/79/88/347927988.db2.gz WQGNAHYSMGECMS-VIFPVBQESA-N 0 1 293.298 3.263 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000610476406 348384015 /nfs/dbraw/zinc/38/40/15/348384015.db2.gz NUZAIXZZNBVENU-GFCCVEGCSA-N 0 1 290.294 3.316 20 5 CGBDMN Cc1ccncc1[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000611293114 348435716 /nfs/dbraw/zinc/43/57/16/348435716.db2.gz LRKSXZPBZPDGCX-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000358993795 233235533 /nfs/dbraw/zinc/23/55/33/233235533.db2.gz DYRMCUJVYDUJKM-NSHDSACASA-N 0 1 289.310 3.288 20 5 CGBDMN COC1([C@@H](C)NCc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000412018370 235103373 /nfs/dbraw/zinc/10/33/73/235103373.db2.gz BGQXJTQKTLBSFB-SNVBAGLBSA-N 0 1 298.770 3.295 20 5 CGBDMN C[C@@H]1CC(C)(C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000412050380 235118339 /nfs/dbraw/zinc/11/83/39/235118339.db2.gz YHRNZSHTDHKMLK-SECBINFHSA-N 0 1 254.355 3.277 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000187419840 138448650 /nfs/dbraw/zinc/44/86/50/138448650.db2.gz OHZIVDYJGRZYTE-LBPRGKRZSA-N 0 1 285.347 3.457 20 5 CGBDMN CC[C@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000181500463 189298257 /nfs/dbraw/zinc/29/82/57/189298257.db2.gz XLQRXRNXVMPAKD-HNNXBMFYSA-N 0 1 289.335 3.024 20 5 CGBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000453276944 240811037 /nfs/dbraw/zinc/81/10/37/240811037.db2.gz BEPRHCSLPGSTQV-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048953922 369377063 /nfs/dbraw/zinc/37/70/63/369377063.db2.gz NQCLNNRFIKIVSO-LBPRGKRZSA-N 0 1 298.770 3.249 20 5 CGBDMN C[C@H](NCc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000154442693 371847190 /nfs/dbraw/zinc/84/71/90/371847190.db2.gz GEQAAGOCPWOOCR-NSHDSACASA-N 0 1 272.304 3.151 20 5 CGBDMN CC[C@H](CCO)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000167382800 372593474 /nfs/dbraw/zinc/59/34/74/372593474.db2.gz UKGSBVIBFXTVDA-LLVKDONJSA-N 0 1 289.335 3.024 20 5 CGBDMN Cc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000187419856 375019093 /nfs/dbraw/zinc/01/90/93/375019093.db2.gz OHZIVDYJGRZYTE-GFCCVEGCSA-N 0 1 285.347 3.457 20 5 CGBDMN COCCN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487976522 375290493 /nfs/dbraw/zinc/29/04/93/375290493.db2.gz ULRNGSUXNUEIGS-AAEUAGOBSA-N 0 1 298.408 3.293 20 5 CGBDMN C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339118561 376692796 /nfs/dbraw/zinc/69/27/96/376692796.db2.gz IZRHNZHBKXOBOJ-WOPDTQHZSA-N 0 1 278.352 3.167 20 5 CGBDMN Cc1ncsc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416526 377459139 /nfs/dbraw/zinc/45/91/39/377459139.db2.gz GIMFMFGMXWGLNF-LBPRGKRZSA-N 0 1 289.360 3.137 20 5 CGBDMN CC(C)CO[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350110 378054500 /nfs/dbraw/zinc/05/45/00/378054500.db2.gz DFIYIWQGUKPOTK-UONOGXRCSA-N 0 1 292.379 3.403 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC2(CC2)CC1 ZINC000378330201 379803907 /nfs/dbraw/zinc/80/39/07/379803907.db2.gz ZUNSYILQOSZXBT-UHFFFAOYSA-N 0 1 264.300 3.110 20 5 CGBDMN C[N@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCCO1 ZINC000352570550 379863236 /nfs/dbraw/zinc/86/32/36/379863236.db2.gz IWDBEVOVAHSXGQ-OAHLLOKOSA-N 0 1 292.379 3.028 20 5 CGBDMN Cc1cccc(C(=O)Nc2ccc3nc[nH]c3c2)c1[N+](=O)[O-] ZINC000352613347 379877159 /nfs/dbraw/zinc/87/71/59/379877159.db2.gz AUMMZBCCAQCOFD-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000282552232 379944310 /nfs/dbraw/zinc/94/43/10/379944310.db2.gz XGWJBHRIFACRGS-UHFFFAOYSA-N 0 1 276.361 3.331 20 5 CGBDMN O=[N+]([O-])c1cc(CNCC2(C(F)(F)F)CCC2)cs1 ZINC000353083648 380107413 /nfs/dbraw/zinc/10/74/13/380107413.db2.gz GLKMQDIHHVXQCZ-UHFFFAOYSA-N 0 1 294.298 3.479 20 5 CGBDMN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCCc3cn[nH]c32)c(F)c1 ZINC000269606157 285094558 /nfs/dbraw/zinc/09/45/58/285094558.db2.gz CLKFZCSQZDHPPK-LLVKDONJSA-N 0 1 294.261 3.086 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccnc1)CCC2 ZINC000192591326 285144934 /nfs/dbraw/zinc/14/49/34/285144934.db2.gz HAFYIWOWFPQDGS-MRXNPFEDSA-N 0 1 283.331 3.157 20 5 CGBDMN O=[N+]([O-])c1ccccc1CNc1cc2c(cn1)CCCC2 ZINC000361248263 392265382 /nfs/dbraw/zinc/26/53/82/392265382.db2.gz BUWCCNBRJKYCMC-UHFFFAOYSA-N 0 1 283.331 3.481 20 5 CGBDMN Cc1ncsc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291628484 392472898 /nfs/dbraw/zinc/47/28/98/392472898.db2.gz AGOULFMIWJXVNE-UHFFFAOYSA-N 0 1 291.376 3.385 20 5 CGBDMN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 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O=[N+]([O-])c1cnc(Nc2ccn(-c3ccccc3)n2)c(F)c1 ZINC001164185698 806910339 /nfs/dbraw/zinc/91/03/39/806910339.db2.gz QJDHZOPXWBPYBA-UHFFFAOYSA-N 0 1 299.265 3.058 20 5 CGBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(F)c2O)c1 ZINC001302485703 809595915 /nfs/dbraw/zinc/59/59/15/809595915.db2.gz KHRBEDSPXRSOQO-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001191406851 810710245 /nfs/dbraw/zinc/71/02/45/810710245.db2.gz AXWTVVFYVHGYRJ-LLVKDONJSA-N 0 1 266.316 3.356 20 5 CGBDMN CC[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001191406851 810710251 /nfs/dbraw/zinc/71/02/51/810710251.db2.gz AXWTVVFYVHGYRJ-LLVKDONJSA-N 0 1 266.316 3.356 20 5 CGBDMN COc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210394545 814442256 /nfs/dbraw/zinc/44/22/56/814442256.db2.gz BGUGDQVMGNBUAZ-UHFFFAOYSA-N 0 1 260.249 3.053 20 5 CGBDMN Cc1cc(F)ccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395441 814442406 /nfs/dbraw/zinc/44/24/06/814442406.db2.gz WOAJZLJCJWSZHJ-UHFFFAOYSA-N 0 1 262.240 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O=[N+]([O-])c1ccc(-c2nc(CN3CCCCC3)co2)cc1 ZINC000152941211 188054495 /nfs/dbraw/zinc/05/44/95/188054495.db2.gz RPWXGGDHIVAJCZ-UHFFFAOYSA-N 0 1 287.319 3.236 20 5 CGBDMN C[C@H]1CC(C)(C)CN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412046816 235116490 /nfs/dbraw/zinc/11/64/90/235116490.db2.gz RQCKLKZPWPHQHF-JTQLQIEISA-N 0 1 288.351 3.092 20 5 CGBDMN Cc1cc(F)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427938101 236354781 /nfs/dbraw/zinc/35/47/81/236354781.db2.gz NFNUFRABNAZBFU-UHFFFAOYSA-N 0 1 290.250 3.000 20 5 CGBDMN Cc1ccc2nc(CNc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000342444797 216354094 /nfs/dbraw/zinc/35/40/94/216354094.db2.gz HUFGVRVNNCPNBQ-UHFFFAOYSA-N 0 1 282.303 3.392 20 5 CGBDMN COc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000037680315 369098949 /nfs/dbraw/zinc/09/89/49/369098949.db2.gz JGKANYAUUPEYTD-LBPRGKRZSA-N 0 1 286.331 3.454 20 5 CGBDMN COCc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000038010632 369139193 /nfs/dbraw/zinc/13/91/93/369139193.db2.gz LFLCLVIULWBYGP-UHFFFAOYSA-N 0 1 286.331 3.031 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN(CCc1ccccn1)C1CC1 ZINC000135237291 371404811 /nfs/dbraw/zinc/40/48/11/371404811.db2.gz LEQMHNHTBSFWRV-UHFFFAOYSA-N 0 1 297.358 3.197 20 5 CGBDMN CC(C)(C)OC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000162410272 372393817 /nfs/dbraw/zinc/39/38/17/372393817.db2.gz FKVLMQIJSUWZKT-UHFFFAOYSA-N 0 1 292.379 3.374 20 5 CGBDMN C[C@H](N(C)Cc1csc([N+](=O)[O-])c1)C1(C)CC1 ZINC000177221353 373665902 /nfs/dbraw/zinc/66/59/02/373665902.db2.gz XZEQZWXUXQTYTJ-VIFPVBQESA-N 0 1 254.355 3.277 20 5 CGBDMN CC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330380 374258482 /nfs/dbraw/zinc/25/84/82/374258482.db2.gz RHTAPYLLLDJMTL-VIFPVBQESA-N 0 1 256.733 3.479 20 5 CGBDMN O=[N+]([O-])c1cccc(CNCc2ccc3ccccc3n2)c1 ZINC000314816095 374321721 /nfs/dbraw/zinc/32/17/21/374321721.db2.gz CKKIVWWFEWZNDO-UHFFFAOYSA-N 0 1 293.326 3.433 20 5 CGBDMN Cc1occc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320939444 374352517 /nfs/dbraw/zinc/35/25/17/374352517.db2.gz 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O=[N+]([O-])c1ccc(CN[C@@H](c2cccnc2)C2CC2)cc1 ZINC000340102208 376915487 /nfs/dbraw/zinc/91/54/87/376915487.db2.gz CLKUVFSQYWTHHX-MRXNPFEDSA-N 0 1 283.331 3.231 20 5 CGBDMN C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000245960840 376945244 /nfs/dbraw/zinc/94/52/44/376945244.db2.gz UUYWMEVFGKVORU-VHSXEESVSA-N 0 1 254.355 3.134 20 5 CGBDMN Cc1ccc(CN2CC(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000348710220 379027060 /nfs/dbraw/zinc/02/70/60/379027060.db2.gz NZODCEXJYSRIDA-UHFFFAOYSA-N 0 1 260.337 3.135 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNC1CC(F)(F)C1 ZINC000277627926 379203543 /nfs/dbraw/zinc/20/35/43/379203543.db2.gz KOWPWHRUFQUXAC-UHFFFAOYSA-N 0 1 276.670 3.136 20 5 CGBDMN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccon1 ZINC000349832944 379412080 /nfs/dbraw/zinc/41/20/80/379412080.db2.gz KLUCLKIXAPAMIX-VXGBXAGGSA-N 0 1 289.335 3.255 20 5 CGBDMN CCc1cccnc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000356833970 380891923 /nfs/dbraw/zinc/89/19/23/380891923.db2.gz BQMIQNUSGVNXTP-LBPRGKRZSA-N 0 1 285.347 3.403 20 5 CGBDMN Cc1cc(N[C@@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2n1 ZINC000136405472 392477636 /nfs/dbraw/zinc/47/76/36/392477636.db2.gz QTGWFTURGBFXNP-ONGXEEELSA-N 0 1 289.335 3.023 20 5 CGBDMN COCC[C@@H]1CCCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000372087782 392581925 /nfs/dbraw/zinc/58/19/25/392581925.db2.gz GSEAHLKFIMFFDQ-AWEZNQCLSA-N 0 1 292.379 3.233 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000375334098 392768522 /nfs/dbraw/zinc/76/85/22/392768522.db2.gz BNUPIMWLPQXOPT-UHFFFAOYSA-N 0 1 291.307 3.022 20 5 CGBDMN C[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505800556 392699176 /nfs/dbraw/zinc/69/91/76/392699176.db2.gz CLFDJXFDNICJFT-NSHDSACASA-N 0 1 266.316 3.356 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSCC[C@H]1C ZINC000191820330 392835236 /nfs/dbraw/zinc/83/52/36/392835236.db2.gz WCPCOGXMYUWYJT-GFCCVEGCSA-N 0 1 280.393 3.231 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1NCCc1ccc2cn[nH]c2c1 ZINC000588048721 397713933 /nfs/dbraw/zinc/71/39/33/397713933.db2.gz UBGMYOZJWAYOSJ-UHFFFAOYSA-N 0 1 296.330 3.434 20 5 CGBDMN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093502055 287117079 /nfs/dbraw/zinc/11/70/79/287117079.db2.gz HNNTWYCVSLFPLH-HZRUHFOJSA-N 0 1 292.404 3.435 20 5 CGBDMN Cc1cc(C)c(CNCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000397055537 288020823 /nfs/dbraw/zinc/02/08/23/288020823.db2.gz MLXZZMIJUHCLHF-UHFFFAOYSA-N 0 1 285.347 3.205 20 5 CGBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000549365985 289041842 /nfs/dbraw/zinc/04/18/42/289041842.db2.gz AGIQUCNLKBMINE-UHFFFAOYSA-N 0 1 294.257 3.215 20 5 CGBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCS[C@H](C)C1 ZINC000171696744 534095338 /nfs/dbraw/zinc/09/53/38/534095338.db2.gz CYMQGKSDNCSLPS-MNOVXSKESA-N 0 1 266.366 3.093 20 5 CGBDMN CC[C@H]1CCC[C@H](OC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000734722623 572677640 /nfs/dbraw/zinc/67/76/40/572677640.db2.gz MQWPDRWPUUZAPW-UWVGGRQHSA-N 0 1 266.297 3.049 20 5 CGBDMN CC(C)c1ccc(C[N@@H+](C)C(C)(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833510542 604626741 /nfs/dbraw/zinc/62/67/41/604626741.db2.gz XDUZULKBLHRUNT-UHFFFAOYSA-N 0 1 294.351 3.013 20 5 CGBDMN Cc1cc([C@@H](C)NC[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000903245218 621637127 /nfs/dbraw/zinc/63/71/27/621637127.db2.gz KKRMTKNQZKZUJJ-ZYHUDNBSSA-N 0 1 289.335 3.346 20 5 CGBDMN COC(C)(C)[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331823 621706424 /nfs/dbraw/zinc/70/64/24/621706424.db2.gz NZNINONSWCKYFI-UWVGGRQHSA-N 0 1 284.331 3.198 20 5 CGBDMN CCC[C@H]1[C@@H](C)CCCN1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386641 623320785 /nfs/dbraw/zinc/32/07/85/623320785.db2.gz RSKQROZUWXMRCG-FZMZJTMJSA-N 0 1 294.399 3.266 20 5 CGBDMN CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774321 623438680 /nfs/dbraw/zinc/43/86/80/623438680.db2.gz BDBSEWYQLXOHMR-LLVKDONJSA-N 0 1 266.316 3.356 20 5 CGBDMN CCCCCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000920124101 624449435 /nfs/dbraw/zinc/44/94/35/624449435.db2.gz IUHKDJSUJZEYGF-JTQLQIEISA-N 0 1 268.313 3.439 20 5 CGBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c(F)cccc1F ZINC000920165838 624452737 /nfs/dbraw/zinc/45/27/37/624452737.db2.gz AHLUXZTVTFSOAC-SSDOTTSWSA-N 0 1 296.229 3.119 20 5 CGBDMN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC000761505140 627046863 /nfs/dbraw/zinc/04/68/63/627046863.db2.gz GMMLKPGTEZRSFO-GFCCVEGCSA-N 0 1 298.770 3.249 20 5 CGBDMN C[C@H](CCCC(F)(F)F)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000774722383 628018324 /nfs/dbraw/zinc/01/83/24/628018324.db2.gz LYLOTKAJJUETAA-SSDOTTSWSA-N 0 1 294.229 3.201 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](C2CC2)C1 ZINC000808776655 630677062 /nfs/dbraw/zinc/67/70/62/630677062.db2.gz LRUWIYNJMVZLFV-GFCCVEGCSA-N 0 1 278.327 3.356 20 5 CGBDMN Cc1c([C@@H](C)N[C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000866613105 633213996 /nfs/dbraw/zinc/21/39/96/633213996.db2.gz QJQJOLJVCTYSFE-NEPJUHHUSA-N 0 1 288.351 3.049 20 5 CGBDMN CCC(CC)[C@@H](O)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033618 633951933 /nfs/dbraw/zinc/95/19/33/633951933.db2.gz CPTOWEOYWVGVEN-YGRLFVJLSA-N 0 1 298.358 3.182 20 5 CGBDMN CSC[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037309 633956487 /nfs/dbraw/zinc/95/64/87/633956487.db2.gz DIGXOZYXSULEKL-DTWKUNHWSA-N 0 1 272.345 3.136 20 5 CGBDMN CSC[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037312 633956969 /nfs/dbraw/zinc/95/69/69/633956969.db2.gz DIGXOZYXSULEKL-RKDXNWHRSA-N 0 1 272.345 3.136 20 5 CGBDMN C[C@H](NC[C@@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040837 633962233 /nfs/dbraw/zinc/96/22/33/633962233.db2.gz CRJVNDBHKPDTII-UWVGGRQHSA-N 0 1 284.356 3.280 20 5 CGBDMN CO[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000872041487 633962862 /nfs/dbraw/zinc/96/28/62/633962862.db2.gz TUYNIDVEIGDYTN-GXFFZTMASA-N 0 1 298.358 3.446 20 5 CGBDMN C[C@H](NC[C@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086786 634013449 /nfs/dbraw/zinc/01/34/49/634013449.db2.gz ZJUFYWGXZVJEOH-GRYCIOLGSA-N 0 1 296.342 3.342 20 5 CGBDMN CC(C)CC[C@H]1CCCCN1Cn1nccc1[N+](=O)[O-] ZINC000128616107 636050549 /nfs/dbraw/zinc/05/05/49/636050549.db2.gz VUZBKQVFPDNJGY-CYBMUJFWSA-N 0 1 280.372 3.040 20 5 CGBDMN C[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850528294 637106742 /nfs/dbraw/zinc/10/67/42/637106742.db2.gz GSEYNIRSGBWRTF-GOPGUHFVSA-N 0 1 298.342 3.424 20 5 CGBDMN C[C@H](CN(C)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885982161 637341358 /nfs/dbraw/zinc/34/13/58/637341358.db2.gz WOMOICGKLDQVDM-CYBMUJFWSA-N 0 1 285.347 3.225 20 5 CGBDMN Cc1ccccc1C[C@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886174508 637448763 /nfs/dbraw/zinc/44/87/63/637448763.db2.gz BYNLLTLEZSSYMX-AWEZNQCLSA-N 0 1 299.374 3.361 20 5 CGBDMN CN(Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000886183842 637451355 /nfs/dbraw/zinc/45/13/55/637451355.db2.gz OEXLCVIKXUOGJY-GFCCVEGCSA-N 0 1 263.341 3.000 20 5 CGBDMN C[C@H](CN(C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886313925 637495316 /nfs/dbraw/zinc/49/53/16/637495316.db2.gz HRWJKQQVOGHCKR-LLVKDONJSA-N 0 1 265.357 3.104 20 5 CGBDMN C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H](C)N1C ZINC000853648412 637881933 /nfs/dbraw/zinc/88/19/33/637881933.db2.gz RXTZLQBVSQLDMJ-AOOOYVTPSA-N 0 1 299.321 3.061 20 5 CGBDMN C[C@@]1(Cc2cc(Cl)cs2)CCCN1CC[N+](=O)[O-] ZINC000932921070 639400177 /nfs/dbraw/zinc/40/01/77/639400177.db2.gz WLUIGIWHFYWYOG-LBPRGKRZSA-N 0 1 288.800 3.075 20 5 CGBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC=CO2)c(Cl)c1 ZINC000189554109 640199245 /nfs/dbraw/zinc/19/92/45/640199245.db2.gz GQRJKGNFHATFOC-LBPRGKRZSA-N 0 1 282.727 3.031 20 5 CGBDMN O=[N+]([O-])c1cccc(Cc2nc3ccc(F)cc3[nH]2)c1 ZINC001250597709 805715677 /nfs/dbraw/zinc/71/56/77/805715677.db2.gz UBBSAUHXZDIDAW-UHFFFAOYSA-N 0 1 271.251 3.201 20 5 CGBDMN COc1cc(-c2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC001250619947 805730070 /nfs/dbraw/zinc/73/00/70/805730070.db2.gz FLQYONJKLYPZSI-UHFFFAOYSA-N 0 1 287.250 3.286 20 5 CGBDMN COc1ccc(-c2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC001250837931 805786548 /nfs/dbraw/zinc/78/65/48/805786548.db2.gz 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ZINC001190520619 810632537 /nfs/dbraw/zinc/63/25/37/810632537.db2.gz VCHWDXLHGCPLNN-GFCCVEGCSA-N 0 1 276.336 3.483 20 5 CGBDMN Cc1cccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)c1 ZINC001216924249 815901307 /nfs/dbraw/zinc/90/13/07/815901307.db2.gz AGXZZOMNXYUYSI-UHFFFAOYSA-N 0 1 297.270 3.326 20 5 CGBDMN CC[C@H](Oc1[nH]c(=O)nc2cc([N+](=O)[O-])ccc21)C(C)C ZINC001228245663 817848778 /nfs/dbraw/zinc/84/87/78/817848778.db2.gz VVXNCGFBFPCCJS-LBPRGKRZSA-N 0 1 291.307 3.057 20 5 CGBDMN CCC[C@@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228863226 818026002 /nfs/dbraw/zinc/02/60/02/818026002.db2.gz VVGKSNGSWLWILA-ZCFIWIBFSA-N 0 1 294.229 3.282 20 5 CGBDMN C[C@@H](Cc1ccsc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC001459620540 937493809 /nfs/dbraw/zinc/49/38/09/937493809.db2.gz IKYBACOMLJKOTF-NSHDSACASA-N 0 1 291.376 3.114 20 5 CGBDMN C[C@@H](C[N+](C)(C)C)Oc1cc([O-])c(Cl)cc1Cl ZINC001229405835 932146625 /nfs/dbraw/zinc/14/66/25/932146625.db2.gz BOILLCILULNOOL-QMMMGPOBSA-O 0 1 279.187 3.173 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001307947449 933024567 /nfs/dbraw/zinc/02/45/67/933024567.db2.gz REGBZEFNKPNHAG-ZDUSSCGKSA-N 0 1 290.363 3.313 20 5 CGBDMN CC[C@@H](C)N1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001472783900 937783717 /nfs/dbraw/zinc/78/37/17/937783717.db2.gz MTUXYVJCTUUXBO-LLVKDONJSA-N 0 1 297.786 3.169 20 5 CGBDMN CC[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC001559769770 938235107 /nfs/dbraw/zinc/23/51/07/938235107.db2.gz SGSDWOQDCREPTE-GHMZBOCLSA-N 0 1 266.316 3.354 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CN(c1ccccc1)C1CC1 ZINC001559838424 938236874 /nfs/dbraw/zinc/23/68/74/938236874.db2.gz QKZKSSKJOZRXNE-UHFFFAOYSA-N 0 1 284.315 3.469 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCc2cc(O)cc(Cl)c2)cc1 ZINC001560283108 938250921 /nfs/dbraw/zinc/25/09/21/938250921.db2.gz YCGCOWSFOYQXLZ-UHFFFAOYSA-N 0 1 292.722 3.244 20 5 CGBDMN C[C@H](F)CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351767393 219200367 /nfs/dbraw/zinc/20/03/67/219200367.db2.gz VGWNUZPZRVAFFN-NSHDSACASA-N 0 1 266.316 3.307 20 5 CGBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@]2(CC2(F)F)C1 ZINC000593694885 347104728 /nfs/dbraw/zinc/10/47/28/347104728.db2.gz DMRFRMUKAULDJI-MFBWXBCUSA-N 0 1 294.301 3.339 20 5 CGBDMN CC[C@@H](NCc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041571 347143343 /nfs/dbraw/zinc/14/33/43/347143343.db2.gz FUYBBQQUQBVPSO-UKRRQHHQSA-N 0 1 296.342 3.171 20 5 CGBDMN Cc1occc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505657 347181669 /nfs/dbraw/zinc/18/16/69/347181669.db2.gz YOSNRRRWYFGVBZ-CQSZACIVSA-N 0 1 272.304 3.273 20 5 CGBDMN Cc1noc(CN2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000595328747 347293249 /nfs/dbraw/zinc/29/32/49/347293249.db2.gz ZERYZENYYVIHLS-UHFFFAOYSA-N 0 1 279.340 3.047 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCF)C1 ZINC000595755489 347350132 /nfs/dbraw/zinc/35/01/32/347350132.db2.gz MNEROGSVKOOCQZ-LBPRGKRZSA-N 0 1 296.342 3.175 20 5 CGBDMN O=C1[C@H]2CCCCCCC2=NN1c1cccc([N+](=O)[O-])c1 ZINC000601932037 347924998 /nfs/dbraw/zinc/92/49/98/347924998.db2.gz MJXFUQVVGYLKSB-ZDUSSCGKSA-N 0 1 287.319 3.268 20 5 CGBDMN O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CCCCCC2 ZINC000601932037 347925001 /nfs/dbraw/zinc/92/50/01/347925001.db2.gz MJXFUQVVGYLKSB-ZDUSSCGKSA-N 0 1 287.319 3.268 20 5 CGBDMN O=C1[C@@H]2CCCCCCC2=NN1c1cccc([N+](=O)[O-])c1 ZINC000601932036 347925224 /nfs/dbraw/zinc/92/52/24/347925224.db2.gz MJXFUQVVGYLKSB-CYBMUJFWSA-N 0 1 287.319 3.268 20 5 CGBDMN O=c1c2c([nH]n1-c1cccc([N+](=O)[O-])c1)CCCCCC2 ZINC000601932036 347925225 /nfs/dbraw/zinc/92/52/25/347925225.db2.gz MJXFUQVVGYLKSB-CYBMUJFWSA-N 0 1 287.319 3.268 20 5 CGBDMN Cc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])sn1 ZINC000602648914 348000437 /nfs/dbraw/zinc/00/04/37/348000437.db2.gz DRSSPAHEXQPFJP-UHFFFAOYSA-N 0 1 291.376 3.034 20 5 CGBDMN O=[N+]([O-])c1ccc2oc(CNCC3=CCCCC3)nc2c1 ZINC000602673694 348006558 /nfs/dbraw/zinc/00/65/58/348006558.db2.gz MLLSOWQTISAPSS-UHFFFAOYSA-N 0 1 287.319 3.326 20 5 CGBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3C[C@H]3C3CCC3)nc2c1 ZINC000602693755 348010332 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C[C@H]1CC(C)(C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000412046257 235115698 /nfs/dbraw/zinc/11/56/98/235115698.db2.gz QVFCXWQIQYOQJG-JTQLQIEISA-N 0 1 289.335 3.356 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSC1CCCC1 ZINC000412982564 235234933 /nfs/dbraw/zinc/23/49/33/235234933.db2.gz YVLOHTGHPOGJIV-UHFFFAOYSA-N 0 1 253.323 3.476 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCCOC2CCCC2)c(Cl)c1 ZINC000108943152 138360964 /nfs/dbraw/zinc/36/09/64/138360964.db2.gz RAADCYQASVCXDT-UHFFFAOYSA-N 0 1 298.770 3.297 20 5 CGBDMN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000294912675 199245087 /nfs/dbraw/zinc/24/50/87/199245087.db2.gz IKTIIKBGYRDAED-UHFFFAOYSA-N 0 1 295.730 3.102 20 5 CGBDMN CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000048947805 369375825 /nfs/dbraw/zinc/37/58/25/369375825.db2.gz HLAKRZMKZQJDPU-GFCCVEGCSA-N 0 1 298.770 3.249 20 5 CGBDMN Cc1cncc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131105261 371082825 /nfs/dbraw/zinc/08/28/25/371082825.db2.gz REMPXTIXVMAETB-LBPRGKRZSA-N 0 1 271.320 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/nfs/dbraw/zinc/01/29/02/818012902.db2.gz PEZAFXYTCBTTIM-VIFPVBQESA-N 0 1 297.307 3.045 20 5 CGBDMN Cc1cc(O)c([N+](=O)[O-])c(O[C@H](C)Cc2ccccc2)n1 ZINC001231260623 818065624 /nfs/dbraw/zinc/06/56/24/818065624.db2.gz UNPMMLOWOONBHH-LLVKDONJSA-N 0 1 288.303 3.014 20 5 CGBDMN CCCCC[C@@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001435022029 937251986 /nfs/dbraw/zinc/25/19/86/937251986.db2.gz DMKUTOACBYNVAG-RBSFLKMASA-N 0 1 290.363 3.089 20 5 CGBDMN CCc1ncc(CNc2nc3ccccc3cc2[N+](=O)[O-])[nH]1 ZINC001458669193 937471229 /nfs/dbraw/zinc/47/12/29/937471229.db2.gz OSNASGTZDPFLTP-UHFFFAOYSA-N 0 1 297.318 3.041 20 5 CGBDMN C[C@@H]1CCC[C@H](Oc2cc3[nH]ncc3cc2[N+](=O)[O-])C1 ZINC001230601587 932596902 /nfs/dbraw/zinc/59/69/02/932596902.db2.gz OMXPBFNOEIDLNL-KOLCDFICSA-N 0 1 275.308 3.429 20 5 CGBDMN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001330601279 935302063 /nfs/dbraw/zinc/30/20/63/935302063.db2.gz LCDFAVOQHCRUAV-UHFFFAOYSA-N 0 1 281.312 3.123 20 5 CGBDMN CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001524683415 938044678 /nfs/dbraw/zinc/04/46/78/938044678.db2.gz PIRLSYHZSKXPOB-MWLCHTKSSA-N 0 1 266.297 3.049 20 5 CGBDMN CCCC1CCC(N(C(=O)[C@@H]2CC2[N+](=O)[O-])C(C)C)CC1 ZINC001537550761 938111457 /nfs/dbraw/zinc/11/14/57/938111457.db2.gz IBHUUUXWZQZNAT-NEXFUWMNSA-N 0 1 296.411 3.248 20 5 CGBDMN Cc1noc(CN2CCC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001560227873 938248015 /nfs/dbraw/zinc/24/80/15/938248015.db2.gz VLYORWWVUZIPKE-CYBMUJFWSA-N 0 1 293.367 3.293 20 5 CGBDMN CC[C@H](C)[C@H](C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC001230600197 957846903 /nfs/dbraw/zinc/84/69/03/957846903.db2.gz CZGHKPHSWHFGCK-IUCAKERBSA-N 0 1 263.297 3.285 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)CN([C@@H]1C=CCCC1)CC2 ZINC000088606431 345763265 /nfs/dbraw/zinc/76/32/65/345763265.db2.gz QGAVFTVGIVTUOQ-CQSZACIVSA-N 0 1 258.321 3.062 20 5 CGBDMN Cc1cc(OCCOc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000114888237 345967568 /nfs/dbraw/zinc/96/75/68/345967568.db2.gz UZRIRJSHUMDZIL-UHFFFAOYSA-N 0 1 288.303 3.064 20 5 CGBDMN C[C@@H]1CC[C@H](C)N1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123153240 346007810 /nfs/dbraw/zinc/00/78/10/346007810.db2.gz JMLGDOKXJNQGBJ-AOOOYVTPSA-N 0 1 275.308 3.109 20 5 CGBDMN CCO[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000155435664 346153167 /nfs/dbraw/zinc/15/31/67/346153167.db2.gz CELQSGZALZKLSL-PXTSUWAFSA-N 0 1 290.363 3.109 20 5 CGBDMN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594489863 347177041 /nfs/dbraw/zinc/17/70/41/347177041.db2.gz GQHWRQIYXPUKAU-XHDPSFHLSA-N 0 1 283.331 3.328 20 5 CGBDMN C[C@H]1CCCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291598 347287157 /nfs/dbraw/zinc/28/71/57/347287157.db2.gz KBKZDRZKMPWGRC-JTQLQIEISA-N 0 1 252.289 3.108 20 5 CGBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000595541545 347317562 /nfs/dbraw/zinc/31/75/62/347317562.db2.gz UHJMWTRZQSTXOE-UHFFFAOYSA-N 0 1 266.316 3.354 20 5 CGBDMN CC[C@H](C)N(CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595592655 347322795 /nfs/dbraw/zinc/32/27/95/347322795.db2.gz HVZZSDLZKPWCMH-JTQLQIEISA-N 0 1 254.305 3.354 20 5 CGBDMN Cc1cc(N2CCN(C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596073494 347379370 /nfs/dbraw/zinc/37/93/70/347379370.db2.gz RJWFKXXBGYFOTJ-UHFFFAOYSA-N 0 1 295.408 3.029 20 5 CGBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CCN(C2CC2)C1 ZINC000596091392 347382506 /nfs/dbraw/zinc/38/25/06/347382506.db2.gz JHMMVNIAXPVJAI-JTQLQIEISA-N 0 1 295.770 3.205 20 5 CGBDMN Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157013 347392011 /nfs/dbraw/zinc/39/20/11/347392011.db2.gz WKYFBRVAPQJIJC-WPRPVWTQSA-N 0 1 281.381 3.002 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000599553090 347753722 /nfs/dbraw/zinc/75/37/22/347753722.db2.gz MRLVOVRVSCEXSX-OLZOCXBDSA-N 0 1 296.367 3.204 20 5 CGBDMN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CC34CCCC4)nc2c1 ZINC000602637769 347998461 /nfs/dbraw/zinc/99/84/61/347998461.db2.gz MSTMXIMMVNLBQD-CYBMUJFWSA-N 0 1 287.319 3.158 20 5 CGBDMN C[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000608837181 348332491 /nfs/dbraw/zinc/33/24/91/348332491.db2.gz XAIYZBRNVBTVSW-WOLRVDTOSA-N 0 1 283.331 3.354 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CCC(c2cccnc2)CC1 ZINC000611258908 348432204 /nfs/dbraw/zinc/43/22/04/348432204.db2.gz DLPICRWKYMKZAX-UHFFFAOYSA-N 0 1 297.358 3.369 20 5 CGBDMN Cc1cc(OCc2c(F)cccc2[N+](=O)[O-])cc(C)n1 ZINC000614068206 348648890 /nfs/dbraw/zinc/64/88/90/348648890.db2.gz WARDJPBSFLBLND-UHFFFAOYSA-N 0 1 276.267 3.325 20 5 CGBDMN CSCCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000413006358 235241722 /nfs/dbraw/zinc/24/17/22/235241722.db2.gz DLESKJPHQBGZLL-UHFFFAOYSA-N 0 1 273.379 3.287 20 5 CGBDMN O=[N+]([O-])c1ccc(CNc2nccn2-c2ccccc2)cc1 ZINC000438935017 238218160 /nfs/dbraw/zinc/21/81/60/238218160.db2.gz WZWDLLGYNSRRCN-UHFFFAOYSA-N 0 1 294.314 3.393 20 5 CGBDMN Cc1ccncc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342230309 216270649 /nfs/dbraw/zinc/27/06/49/216270649.db2.gz MPTJXIZWBMMGBR-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN COc1cc(CN2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000184237262 189380603 /nfs/dbraw/zinc/38/06/03/189380603.db2.gz KKQSHYUNMIBROC-UHFFFAOYSA-N 0 1 282.315 3.119 20 5 CGBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020035373 368795117 /nfs/dbraw/zinc/79/51/17/368795117.db2.gz OAHBVIRILQTCKV-LBPRGKRZSA-N 0 1 256.305 3.446 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000076756264 369943547 /nfs/dbraw/zinc/94/35/47/369943547.db2.gz UZWBMQKIZAKNCN-INIZCTEOSA-N 0 1 297.358 3.281 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000076756262 369943623 /nfs/dbraw/zinc/94/36/23/369943623.db2.gz UZWBMQKIZAKNCN-MRXNPFEDSA-N 0 1 297.358 3.281 20 5 CGBDMN Cc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421886032 371698048 /nfs/dbraw/zinc/69/80/48/371698048.db2.gz RTWZWRUTHIFDOJ-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1ccc(NC(=O)c2cccc3nc[nH]c32)cc1[N+](=O)[O-] ZINC000157852344 372039590 /nfs/dbraw/zinc/03/95/90/372039590.db2.gz UHOVRTUAPYWIIS-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1CC1 ZINC000290910663 372073533 /nfs/dbraw/zinc/07/35/33/372073533.db2.gz PFHSFCAJZWCSIU-UHFFFAOYSA-N 0 1 261.108 3.154 20 5 CGBDMN CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000174364923 373301174 /nfs/dbraw/zinc/30/11/74/373301174.db2.gz QPPOPXVEDSFSQW-SMDDNHRTSA-N 0 1 280.393 3.483 20 5 CGBDMN CC/C=C\CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449462477 373746879 /nfs/dbraw/zinc/74/68/79/373746879.db2.gz VEPUPNZQDRVICR-ARJAWSKDSA-N 0 1 286.278 3.252 20 5 CGBDMN O=[N+]([O-])c1cccc([C@H](N[C@@H]2CCOC2)c2ccccc2)c1 ZINC000181003068 374068283 /nfs/dbraw/zinc/06/82/83/374068283.db2.gz WPCKFSPYWWOCEN-NVXWUHKLSA-N 0 1 298.342 3.063 20 5 CGBDMN Cc1cc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)no1 ZINC000317303244 374337606 /nfs/dbraw/zinc/33/76/06/374337606.db2.gz UBXVMLPMPDFJRV-UHFFFAOYSA-N 0 1 298.302 3.360 20 5 CGBDMN CC(C)COCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000337251734 376165513 /nfs/dbraw/zinc/16/55/13/376165513.db2.gz ODKOFHBEAKKNAH-UHFFFAOYSA-N 0 1 292.379 3.232 20 5 CGBDMN CC1=CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000538727417 376262561 /nfs/dbraw/zinc/26/25/61/376262561.db2.gz PKLYSGINLWTHPB-XQRVVYSFSA-N 0 1 258.321 3.260 20 5 CGBDMN Cc1cncc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539055078 376288255 /nfs/dbraw/zinc/28/82/55/376288255.db2.gz WAAOFDMSUXJZGY-ZDUSSCGKSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1cccc(C[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000338924787 376578321 /nfs/dbraw/zinc/57/83/21/376578321.db2.gz JTCNDUUWJOCTBL-UHFFFAOYSA-N 0 1 286.331 3.241 20 5 CGBDMN CC[C@H](C)C[N@@H+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339012338 376628596 /nfs/dbraw/zinc/62/85/96/376628596.db2.gz XXQYHUGIRFXXRJ-NSHDSACASA-N 0 1 266.341 3.168 20 5 CGBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000339012768 376630325 /nfs/dbraw/zinc/63/03/25/376630325.db2.gz DFSWUSCLCQXAGF-OAHLLOKOSA-N 0 1 298.342 3.117 20 5 CGBDMN CC(C)c1ccc(CN[C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000339793884 376849749 /nfs/dbraw/zinc/84/97/49/376849749.db2.gz BYIDHHIKQMYNNC-LLVKDONJSA-N 0 1 288.351 3.292 20 5 CGBDMN CC(C)SCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558723917 377040050 /nfs/dbraw/zinc/04/00/50/377040050.db2.gz HUMIHQGCABJRJG-UHFFFAOYSA-N 0 1 280.393 3.095 20 5 CGBDMN CC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447209 379833755 /nfs/dbraw/zinc/83/37/55/379833755.db2.gz QJQVLNOELRLEFQ-WFASDCNBSA-N 0 1 278.352 3.157 20 5 CGBDMN CCc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000352766731 379948523 /nfs/dbraw/zinc/94/85/23/379948523.db2.gz AGTACTMUUWFKQT-LBPRGKRZSA-N 0 1 285.347 3.403 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@@H]1C ZINC000357729996 381267510 /nfs/dbraw/zinc/26/75/10/381267510.db2.gz KLNRYGLINVNXKW-NEPJUHHUSA-N 0 1 278.352 3.224 20 5 CGBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359993244 381402231 /nfs/dbraw/zinc/40/22/31/381402231.db2.gz RCCLGYDPLJCEHJ-VIFPVBQESA-N 0 1 254.717 3.090 20 5 CGBDMN Cc1cc2[nH]ncc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000360427606 381540686 /nfs/dbraw/zinc/54/06/86/381540686.db2.gz KAEVPRAGNOJZBD-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN CCN(CCC1CC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362192943 381906414 /nfs/dbraw/zinc/90/64/14/381906414.db2.gz XDMWEOKCUFXTGL-UHFFFAOYSA-N 0 1 296.342 3.365 20 5 CGBDMN COc1cc(CN2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362315826 381941454 /nfs/dbraw/zinc/94/14/54/381941454.db2.gz IOKFHZGORGQTFL-WDEREUQCSA-N 0 1 296.342 3.363 20 5 CGBDMN CC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281304299 195189312 /nfs/dbraw/zinc/18/93/12/195189312.db2.gz PXOLJRBSFGTZJY-SBJJXXPASA-N 0 1 290.363 3.109 20 5 CGBDMN C[C@@H](NCc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459400136 542694699 /nfs/dbraw/zinc/69/46/99/542694699.db2.gz ZLGMRYYPKRTWDY-LLVKDONJSA-N 0 1 298.346 3.113 20 5 CGBDMN C[C@H]1CC[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229335 392698641 /nfs/dbraw/zinc/69/86/41/392698641.db2.gz LNFJQISQWIWFEP-QWRGUYRKSA-N 0 1 288.351 3.092 20 5 CGBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489433922 393597241 /nfs/dbraw/zinc/59/72/41/393597241.db2.gz BWCJLQZIGKBSFN-GFCCVEGCSA-N 0 1 268.744 3.479 20 5 CGBDMN Cc1ncccc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492401935 393728342 /nfs/dbraw/zinc/72/83/42/393728342.db2.gz WPRABIZNFVXZNY-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN C[C@@H]1[C@H](C)SCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093499834 287117165 /nfs/dbraw/zinc/11/71/65/287117165.db2.gz MUANCIBOSZIRRM-JOVKLMRISA-N 0 1 292.404 3.434 20 5 CGBDMN CC1(C)CC[C@H](CNCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000189714617 260228504 /nfs/dbraw/zinc/22/85/04/260228504.db2.gz VHNNIBNWXDIBKQ-GFCCVEGCSA-N 0 1 298.770 3.295 20 5 CGBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000533255481 270222348 /nfs/dbraw/zinc/22/23/48/270222348.db2.gz UNXFBEAXDMZCBA-VMPITWQZSA-N 0 1 298.342 3.446 20 5 CGBDMN C[C@H](NCc1ccc2c(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000556787385 289408399 /nfs/dbraw/zinc/40/83/99/289408399.db2.gz TYJWCPJGCCGQKW-LBPRGKRZSA-N 0 1 297.358 3.329 20 5 CGBDMN Cc1ncncc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578667571 335662012 /nfs/dbraw/zinc/66/20/12/335662012.db2.gz VQQKUNQFOIPPBW-PWSUYJOCSA-N 0 1 286.335 3.105 20 5 CGBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cccs3)no2)c1 ZINC000362716267 534880363 /nfs/dbraw/zinc/88/03/63/534880363.db2.gz OODITNLPEFWMIW-UHFFFAOYSA-N 0 1 289.272 3.079 20 5 CGBDMN CC[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000727833697 571772285 /nfs/dbraw/zinc/77/22/85/571772285.db2.gz YOYLLIMXGDQWQO-LBPRGKRZSA-N 0 1 252.289 3.108 20 5 CGBDMN CC(C)SCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000310617476 618815305 /nfs/dbraw/zinc/81/53/05/618815305.db2.gz ARHWCJAUFXKFSK-UHFFFAOYSA-N 0 1 288.800 3.479 20 5 CGBDMN Cc1nn(CN(C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690892 619278053 /nfs/dbraw/zinc/27/80/53/619278053.db2.gz XMVYIQOPOWJBRT-STQMWFEESA-N 0 1 294.399 3.204 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895778618 619884719 /nfs/dbraw/zinc/88/47/19/619884719.db2.gz AVQGOYRXLFIVCM-PHIMTYICSA-N 0 1 298.795 3.043 20 5 CGBDMN Cc1ccc(CNCc2cnc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000895834779 619894947 /nfs/dbraw/zinc/89/49/47/619894947.db2.gz UTNGIUISGMGOBW-UHFFFAOYSA-N 0 1 289.310 3.036 20 5 CGBDMN C[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cncs1 ZINC000897930003 620450403 /nfs/dbraw/zinc/45/04/03/620450403.db2.gz GMMKBESEPHKJCR-SKDRFNHKSA-N 0 1 289.360 3.389 20 5 CGBDMN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1cncs1 ZINC000897930001 620450806 /nfs/dbraw/zinc/45/08/06/620450806.db2.gz GMMKBESEPHKJCR-CABZTGNLSA-N 0 1 289.360 3.389 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC/C=C\Cl ZINC000903443199 621754923 /nfs/dbraw/zinc/75/49/23/621754923.db2.gz DATWEBMSNYXNAB-NWPZZWLHSA-N 0 1 254.717 3.306 20 5 CGBDMN Cc1ncc(CSCc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000912434360 622650270 /nfs/dbraw/zinc/65/02/70/622650270.db2.gz XLTQTQCQHAAQKU-UHFFFAOYSA-N 0 1 280.305 3.030 20 5 CGBDMN C[C@H](NCc1cccc2c1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000921551191 625670130 /nfs/dbraw/zinc/67/01/30/625670130.db2.gz AQMKIEZOORIRCH-LBPRGKRZSA-N 0 1 298.342 3.381 20 5 CGBDMN CCCC[C@H](CC)COC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000918495590 624353600 /nfs/dbraw/zinc/35/36/00/624353600.db2.gz PBQQSTJGCXWEHJ-JTQLQIEISA-N 0 1 268.313 3.296 20 5 CGBDMN C[C@]1(NCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000923025310 626120873 /nfs/dbraw/zinc/12/08/73/626120873.db2.gz MTYKEJIYTIZOBU-KRWDZBQOSA-N 0 1 298.342 3.382 20 5 CGBDMN C[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752074237 626417574 /nfs/dbraw/zinc/41/75/74/626417574.db2.gz DWCVZEOFGIYRLG-VIFPVBQESA-N 0 1 254.717 3.233 20 5 CGBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCOCC1CCC1 ZINC000764980589 627235329 /nfs/dbraw/zinc/23/53/29/627235329.db2.gz NTXDROPAKIOMBG-UHFFFAOYSA-N 0 1 298.770 3.155 20 5 CGBDMN CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865434426 630122110 /nfs/dbraw/zinc/12/21/10/630122110.db2.gz JPQQEWLSOISAJW-UHFFFAOYSA-N 0 1 299.321 3.063 20 5 CGBDMN CN(CCC[C@H]1CCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876552625 634855804 /nfs/dbraw/zinc/85/58/04/634855804.db2.gz XLVGEYHPFVQCJD-ZDUSSCGKSA-N 0 1 298.770 3.249 20 5 CGBDMN C[C@]1(F)CCCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000830206754 633839402 /nfs/dbraw/zinc/83/94/02/633839402.db2.gz WNWVRZWVVVNTFF-HNNXBMFYSA-N 0 1 296.342 3.188 20 5 CGBDMN C[C@H](O)CC(C)(C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872047006 633970299 /nfs/dbraw/zinc/97/02/99/633970299.db2.gz BAFIZANBWKEKDG-QWRGUYRKSA-N 0 1 298.358 3.182 20 5 CGBDMN C[C@H](NC[C@@H]1CCC=CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064111 633986483 /nfs/dbraw/zinc/98/64/83/633986483.db2.gz CAXCJIPFIMXCST-QWRGUYRKSA-N 0 1 280.299 3.077 20 5 CGBDMN CO[C@H]1CCCC[C@@H]1N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872069479 633990483 /nfs/dbraw/zinc/99/04/83/633990483.db2.gz QDTOMOLEAKBEDB-JKOKRWQUSA-N 0 1 296.342 3.342 20 5 CGBDMN C[C@@H](NCCC(C)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872074669 633997032 /nfs/dbraw/zinc/99/70/32/633997032.db2.gz ZOLCERZZSRBACU-MRVPVSSYSA-N 0 1 276.258 3.430 20 5 CGBDMN CCO[C@@H]1CCC[C@H]1N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077214 634000164 /nfs/dbraw/zinc/00/01/64/634000164.db2.gz CQSGBCCKKRVYBR-MPKXVKKWSA-N 0 1 296.342 3.342 20 5 CGBDMN CO[C@@H]([C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872079655 634003143 /nfs/dbraw/zinc/00/31/43/634003143.db2.gz ZHKZDEWKBUOSGL-YHAQOWFVSA-N 0 1 296.342 3.198 20 5 CGBDMN C[C@@H](NC[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086394 634012142 /nfs/dbraw/zinc/01/21/42/634012142.db2.gz VROZAHXIZCAGOD-PELKAZGASA-N 0 1 288.269 3.430 20 5 CGBDMN Cc1nn(CN(C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690889 635212470 /nfs/dbraw/zinc/21/24/70/635212470.db2.gz XMVYIQOPOWJBRT-CHWSQXEVSA-N 0 1 294.399 3.204 20 5 CGBDMN C[C@]1(C(F)(F)F)CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877814596 635223328 /nfs/dbraw/zinc/22/33/28/635223328.db2.gz UQINJIYFDJTACP-LBPRGKRZSA-N 0 1 288.269 3.369 20 5 CGBDMN C[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000850530314 637107496 /nfs/dbraw/zinc/10/74/96/637107496.db2.gz XBIBQCROLVMGEA-YMRXKLBXSA-N 0 1 298.342 3.424 20 5 CGBDMN CC(C)(C)C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886012580 637361606 /nfs/dbraw/zinc/36/16/06/637361606.db2.gz KMSYXSIGJXPVAD-UHFFFAOYSA-N 0 1 277.368 3.248 20 5 CGBDMN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccns1 ZINC000858575874 638995661 /nfs/dbraw/zinc/99/56/61/638995661.db2.gz FPBLJWIYIBWQLD-RKDXNWHRSA-N 0 1 292.364 3.045 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccoc1)C1CC1 ZINC000934003401 639522540 /nfs/dbraw/zinc/52/25/40/639522540.db2.gz HJSOUYSYIFKRIF-UHFFFAOYSA-N 0 1 288.303 3.058 20 5 CGBDMN COc1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250619957 805729906 /nfs/dbraw/zinc/72/99/06/805729906.db2.gz FURBJVAMXJNKHI-UHFFFAOYSA-N 0 1 299.286 3.155 20 5 CGBDMN O=[N+]([O-])c1cccnc1-c1nc2ccc3ncccc3c2[nH]1 ZINC001251526233 805904591 /nfs/dbraw/zinc/90/45/91/805904591.db2.gz JSFCWGZZYHFPKA-UHFFFAOYSA-N 0 1 291.270 3.081 20 5 CGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@](C)(F)C1 ZINC001254553778 806448977 /nfs/dbraw/zinc/44/89/77/806448977.db2.gz YXXCTCVPKRZBLI-SWLSCSKDSA-N 0 1 280.343 3.350 20 5 CGBDMN C[C@@H](C1CC1)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036785316 798850839 /nfs/dbraw/zinc/85/08/39/798850839.db2.gz LUDZIMRBXOTAMR-VIFPVBQESA-N 0 1 268.744 3.479 20 5 CGBDMN CS[C@H]1CC[C@@H]1NCc1cc([N+](=O)[O-])ccc1Cl ZINC000701952941 799899689 /nfs/dbraw/zinc/89/96/89/799899689.db2.gz XVISNHCRTNVPML-RYUDHWBXSA-N 0 1 286.784 3.232 20 5 CGBDMN CCc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000765994729 800383700 /nfs/dbraw/zinc/38/37/00/800383700.db2.gz RNKNPCDTPZPYGP-LLVKDONJSA-N 0 1 288.351 3.040 20 5 CGBDMN CCc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000765994729 800383707 /nfs/dbraw/zinc/38/37/07/800383707.db2.gz RNKNPCDTPZPYGP-LLVKDONJSA-N 0 1 288.351 3.040 20 5 CGBDMN O=[N+]([O-])c1cc(O)cc(-c2nnc(C3CCCC3)o2)c1 ZINC001257588226 807201912 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COC1CCC(CN2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001334919465 936122512 /nfs/dbraw/zinc/12/25/12/936122512.db2.gz XVCOWPARHZQGSW-UHFFFAOYSA-N 0 1 290.363 3.116 20 5 CGBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC001596356205 983823336 /nfs/dbraw/zinc/82/33/36/983823336.db2.gz LCSJTPNCMFNYTA-LLVKDONJSA-N 0 1 294.351 3.159 20 5 CGBDMN CCc1cnccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000358504847 529677681 /nfs/dbraw/zinc/67/76/81/529677681.db2.gz IXKBMEDTEKTBCW-GFCCVEGCSA-N 0 1 285.347 3.403 20 5 CGBDMN CC1(C)SC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000338476610 214611171 /nfs/dbraw/zinc/61/11/71/214611171.db2.gz GKFUVAQICIUUSV-NSHDSACASA-N 0 1 286.784 3.232 20 5 CGBDMN O=[N+]([O-])c1ccccc1CN1CCC2(CC2(F)F)CC1 ZINC000593071831 347035985 /nfs/dbraw/zinc/03/59/85/347035985.db2.gz CJKVOJAROBOZGT-UHFFFAOYSA-N 0 1 282.290 3.216 20 5 CGBDMN Cc1occc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000067217963 345316953 /nfs/dbraw/zinc/31/69/53/345316953.db2.gz DIDPEVUEHTZEDH-UHFFFAOYSA-N 0 1 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PKEBTUBIHIENNH-IZZDOVSWSA-N 0 1 287.319 3.084 20 5 CGBDMN C[C@H]1CC[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123069496 392425137 /nfs/dbraw/zinc/42/51/37/392425137.db2.gz SARCWKWWEDTSOZ-UWVGGRQHSA-N 0 1 252.289 3.107 20 5 CGBDMN CO[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000374675183 392688103 /nfs/dbraw/zinc/68/81/03/392688103.db2.gz DYGGRHDREOQLNV-ZDUSSCGKSA-N 0 1 298.770 3.249 20 5 CGBDMN CCC(CC)N(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CC1 ZINC000547794067 393150610 /nfs/dbraw/zinc/15/06/10/393150610.db2.gz BUASKQKSJVHACX-UHFFFAOYSA-N 0 1 292.335 3.094 20 5 CGBDMN C[C@H]1CCSCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000276862369 393302022 /nfs/dbraw/zinc/30/20/22/393302022.db2.gz XCXYULRUHVOAHH-JTQLQIEISA-N 0 1 284.356 3.061 20 5 CGBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C)c1 ZINC000356348537 393425504 /nfs/dbraw/zinc/42/55/04/393425504.db2.gz AHHUDWFDVRVQQC-UHFFFAOYSA-N 0 1 286.287 3.170 20 5 CGBDMN C[C@H]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578707 393485729 /nfs/dbraw/zinc/48/57/29/393485729.db2.gz JMUSTVUPNCAFHJ-QWRGUYRKSA-N 0 1 266.316 3.354 20 5 CGBDMN COc1cc(C[N@H+]2CC[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000490099026 393631961 /nfs/dbraw/zinc/63/19/61/393631961.db2.gz DWVDMJFFNINDRJ-CQSZACIVSA-N 0 1 292.379 3.471 20 5 CGBDMN O=[N+]([O-])c1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449531332 393885166 /nfs/dbraw/zinc/88/51/66/393885166.db2.gz BLZQGVYAGOVUBU-JSGCOSHPSA-N 0 1 278.377 3.277 20 5 CGBDMN C[C@H]1CCC(C)(C)N1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452016089 394049597 /nfs/dbraw/zinc/04/95/97/394049597.db2.gz WCTXYPDGUOIJFP-JTQLQIEISA-N 0 1 288.351 3.234 20 5 CGBDMN CCN(CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883273 165219783 /nfs/dbraw/zinc/21/97/83/165219783.db2.gz DQPAFYNPECJDJM-UHFFFAOYSA-N 0 1 275.308 3.092 20 5 CGBDMN CC[C@H](NCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000119876679 287174866 /nfs/dbraw/zinc/17/48/66/287174866.db2.gz DCQGILMJPRVKHB-GXTWGEPZSA-N 0 1 298.770 3.295 20 5 CGBDMN Cc1c([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000037167373 173001381 /nfs/dbraw/zinc/00/13/81/173001381.db2.gz ZTXRPGIDPFBXIQ-WDEREUQCSA-N 0 1 288.351 3.049 20 5 CGBDMN Cc1cc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000397025161 288020393 /nfs/dbraw/zinc/02/03/93/288020393.db2.gz JNZMWQCEJATSKY-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN Cc1ccc(CN2CC3(C2)CCCC3)cc1[N+](=O)[O-] ZINC000459556218 288096781 /nfs/dbraw/zinc/09/67/81/288096781.db2.gz FKHOVKORLPWGEF-UHFFFAOYSA-N 0 1 260.337 3.279 20 5 CGBDMN COc1cc(CN2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000426476341 533823744 /nfs/dbraw/zinc/82/37/44/533823744.db2.gz ROTYZYYIHKMXFP-MFKMUULPSA-N 0 1 294.326 3.117 20 5 CGBDMN CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168541 523091041 /nfs/dbraw/zinc/09/10/41/523091041.db2.gz GJPKMFIKTVIWLC-NSHDSACASA-N 0 1 289.335 3.358 20 5 CGBDMN Cc1ccc(CN(C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183712299 524402109 /nfs/dbraw/zinc/40/21/09/524402109.db2.gz JAKHNCZSUXFCMU-CYBMUJFWSA-N 0 1 285.347 3.491 20 5 CGBDMN C[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000741790951 572529135 /nfs/dbraw/zinc/52/91/35/572529135.db2.gz OIQQTFZKGKIBTJ-QWRGUYRKSA-N 0 1 266.316 3.354 20 5 CGBDMN C[C@H]1CCCCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734001114 572622388 /nfs/dbraw/zinc/62/23/88/572622388.db2.gz IWINQSKPOVUICT-NSHDSACASA-N 0 1 266.316 3.498 20 5 CGBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccncc2)C2CC2)cs1 ZINC000934688618 618669639 /nfs/dbraw/zinc/66/96/39/618669639.db2.gz RDQSZNCZFVQNFT-CQSZACIVSA-N 0 1 289.360 3.292 20 5 CGBDMN CCC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000179546641 618794966 /nfs/dbraw/zinc/79/49/66/618794966.db2.gz KZFCEWJJOLWWIA-UHFFFAOYSA-N 0 1 288.351 3.085 20 5 CGBDMN C[C@H]1CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000092085336 618836243 /nfs/dbraw/zinc/83/62/43/618836243.db2.gz BYIUULFRXWAVSU-AOOOYVTPSA-N 0 1 268.744 3.336 20 5 CGBDMN C[C@@H](NC[C@@H](C)c1ccccc1[N+](=O)[O-])c1ncco1 ZINC000903245863 621637740 /nfs/dbraw/zinc/63/77/40/621637740.db2.gz PJKBVLSIGJJPPH-GHMZBOCLSA-N 0 1 275.308 3.037 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC/C=C\Cl)CCC2 ZINC000903444296 621755314 /nfs/dbraw/zinc/75/53/14/621755314.db2.gz OGETUSNNIWNOJZ-MDVHNNDNSA-N 0 1 266.728 3.314 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NC/C=C/Cl)CCC2 ZINC000903444295 621755590 /nfs/dbraw/zinc/75/55/90/621755590.db2.gz OGETUSNNIWNOJZ-DRRGCAIJSA-N 0 1 266.728 3.314 20 5 CGBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCCC3(CCC3)O2)cs1 ZINC000922814519 626048777 /nfs/dbraw/zinc/04/87/77/626048777.db2.gz WTRWCCZOGYKZQN-GFCCVEGCSA-N 0 1 296.392 3.238 20 5 CGBDMN C[C@@H]1[C@@H](C)CCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752091464 626418644 /nfs/dbraw/zinc/41/86/44/626418644.db2.gz IIXPKGFAJYJWRD-VHSXEESVSA-N 0 1 268.744 3.479 20 5 CGBDMN CC(C)(C)CN(Cn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000774641397 628010935 /nfs/dbraw/zinc/01/09/35/628010935.db2.gz ARLCPJOOGQCAPR-UHFFFAOYSA-N 0 1 282.388 3.143 20 5 CGBDMN CO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783664765 628736697 /nfs/dbraw/zinc/73/66/97/628736697.db2.gz NZUCKZGWLDRZFD-GFCCVEGCSA-N 0 1 298.770 3.249 20 5 CGBDMN Cc1ccc(CN[C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000866539807 633182710 /nfs/dbraw/zinc/18/27/10/633182710.db2.gz HCVBMXBBYLYKLS-JTQLQIEISA-N 0 1 277.349 3.211 20 5 CGBDMN Cc1nn(CN2CCCC[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000122118351 633314223 /nfs/dbraw/zinc/31/42/23/633314223.db2.gz LZMRZCAASPFTFR-AWEZNQCLSA-N 0 1 294.399 3.266 20 5 CGBDMN C[C@H](NC[C@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040839 633961966 /nfs/dbraw/zinc/96/19/66/633961966.db2.gz CRJVNDBHKPDTII-VHSXEESVSA-N 0 1 284.356 3.280 20 5 CGBDMN C[C@H](NC1(C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872055883 633979349 /nfs/dbraw/zinc/97/93/49/633979349.db2.gz MYCXCPTXYBLKDE-VIFPVBQESA-N 0 1 264.300 3.327 20 5 CGBDMN CC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000872079605 634002628 /nfs/dbraw/zinc/00/26/28/634002628.db2.gz JMAUKXOGDPCNRW-IFUGULHKSA-N 0 1 298.358 3.180 20 5 CGBDMN CO[C@@H]([C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872079653 634002736 /nfs/dbraw/zinc/00/27/36/634002736.db2.gz ZHKZDEWKBUOSGL-FTGAXOIBSA-N 0 1 296.342 3.198 20 5 CGBDMN COC1([C@@H](C)N[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080223 634004551 /nfs/dbraw/zinc/00/45/51/634004551.db2.gz OUHIVFDWKUQVJI-GHMZBOCLSA-N 0 1 296.342 3.342 20 5 CGBDMN C[C@H](N[C@@H]1COC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084027 634008859 /nfs/dbraw/zinc/00/88/59/634008859.db2.gz CRYBUMDCKBTFML-QWRGUYRKSA-N 0 1 294.326 3.096 20 5 CGBDMN C[C@H](NCC1=CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088249 634014550 /nfs/dbraw/zinc/01/45/50/634014550.db2.gz MXAFFQVWQTXFLV-JTQLQIEISA-N 0 1 264.300 3.495 20 5 CGBDMN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872091606 634016771 /nfs/dbraw/zinc/01/67/71/634016771.db2.gz XVXDDEJCULTMTN-DMZJWBPISA-N 0 1 296.342 3.196 20 5 CGBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC(CC(F)F)C1 ZINC000877599359 635107515 /nfs/dbraw/zinc/10/75/15/635107515.db2.gz WZVUCOVBSURIJU-UHFFFAOYSA-N 0 1 284.306 3.299 20 5 CGBDMN O=[N+]([O-])c1ccc(O)cc1CSCCC1CCOCC1 ZINC000844643653 635949175 /nfs/dbraw/zinc/94/91/75/635949175.db2.gz AGKGRXGMTDDTAB-UHFFFAOYSA-N 0 1 297.376 3.350 20 5 CGBDMN C[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000885954354 637329803 /nfs/dbraw/zinc/32/98/03/637329803.db2.gz VPEKVDFIMUJJFT-YUELXQCFSA-N 0 1 289.379 3.390 20 5 CGBDMN CCC[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039677 637381256 /nfs/dbraw/zinc/38/12/56/637381256.db2.gz OEGHHIKSRYNWHM-LBPRGKRZSA-N 0 1 263.341 3.002 20 5 CGBDMN O=[N+]([O-])c1ncccc1CN1CCC[C@H](c2ccccc2)C1 ZINC000886215884 637462199 /nfs/dbraw/zinc/46/21/99/637462199.db2.gz SLPINFJVTOSAIN-HNNXBMFYSA-N 0 1 297.358 3.369 20 5 CGBDMN Cc1noc(CN(C)C2CCCCCCC2)c1[N+](=O)[O-] ZINC000851741049 637488030 /nfs/dbraw/zinc/48/80/30/637488030.db2.gz DPVNDOYTOMJZEW-UHFFFAOYSA-N 0 1 281.356 3.436 20 5 CGBDMN C[C@@H](CN(C)Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886313926 637495096 /nfs/dbraw/zinc/49/50/96/637495096.db2.gz HRWJKQQVOGHCKR-NSHDSACASA-N 0 1 265.357 3.104 20 5 CGBDMN Cc1oncc1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000853788171 637923897 /nfs/dbraw/zinc/92/38/97/637923897.db2.gz TYQITLPWOHLVIL-UHFFFAOYSA-N 0 1 280.305 3.030 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542071 639159446 /nfs/dbraw/zinc/15/94/46/639159446.db2.gz WUQDFVSASIUWLW-OLZOCXBDSA-N 0 1 296.367 3.204 20 5 CGBDMN CN(C)c1ccc2nc(Cc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC001250594158 805714190 /nfs/dbraw/zinc/71/41/90/805714190.db2.gz AKHNARUJAQQVMS-UHFFFAOYSA-N 0 1 296.330 3.128 20 5 CGBDMN O=[N+]([O-])c1cnccc1-c1nc2ccc(C(F)F)cc2[nH]1 ZINC001250939103 805805415 /nfs/dbraw/zinc/80/54/15/805805415.db2.gz MOQRTVSPCSWGIL-UHFFFAOYSA-N 0 1 290.229 3.471 20 5 CGBDMN CCCN(CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037095021 798859460 /nfs/dbraw/zinc/85/94/60/798859460.db2.gz AKGCBZNBDAULGR-UHFFFAOYSA-N 0 1 256.733 3.480 20 5 CGBDMN CSCC1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000719313760 800237029 /nfs/dbraw/zinc/23/70/29/800237029.db2.gz BMNLHFBDAJINLM-UHFFFAOYSA-N 0 1 298.383 3.309 20 5 CGBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585673 800619544 /nfs/dbraw/zinc/61/95/44/800619544.db2.gz NCRUUZRCVOCHRN-MRXNPFEDSA-N 0 1 283.331 3.231 20 5 CGBDMN CC(C)N1CC(Nc2cc3cccnc3c3ncccc23)C1 ZINC001168313819 807380650 /nfs/dbraw/zinc/38/06/50/807380650.db2.gz FDONQWGTODJQEE-UHFFFAOYSA-N 0 1 292.386 3.288 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)CC(C)(C)C1 ZINC001168424940 807410291 /nfs/dbraw/zinc/41/02/91/807410291.db2.gz YNESSBWZWCUDNB-GFCCVEGCSA-N 0 1 292.379 3.471 20 5 CGBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1cscn1 ZINC001173213827 808539030 /nfs/dbraw/zinc/53/90/30/808539030.db2.gz KZQGENSSTGEDAE-QWRGUYRKSA-N 0 1 291.376 3.333 20 5 CGBDMN Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)noc1C(C)(C)C ZINC001287995244 809351045 /nfs/dbraw/zinc/35/10/45/809351045.db2.gz 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CGBDMN CCOc1cc(CN2CCC(CF)CC2)ccc1[N+](=O)[O-] ZINC000295116793 199354261 /nfs/dbraw/zinc/35/42/61/199354261.db2.gz JFBZELJBIXXRCS-UHFFFAOYSA-N 0 1 296.342 3.175 20 5 CGBDMN Cc1nc2c(n1CCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000130532734 346058600 /nfs/dbraw/zinc/05/86/00/346058600.db2.gz YXLIKORHBIYGNQ-UHFFFAOYSA-N 0 1 285.347 3.221 20 5 CGBDMN Cc1cc(OCc2ccc([N+](=O)[O-])cc2F)cc(C)n1 ZINC000128209398 346039015 /nfs/dbraw/zinc/03/90/15/346039015.db2.gz CQVJDYOVWSAZKO-UHFFFAOYSA-N 0 1 276.267 3.325 20 5 CGBDMN CCSCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232199 346086888 /nfs/dbraw/zinc/08/68/88/346086888.db2.gz SVBGHWWRDFHLBJ-UHFFFAOYSA-N 0 1 280.393 3.312 20 5 CGBDMN Cc1ccc(CN2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593655908 347100828 /nfs/dbraw/zinc/10/08/28/347100828.db2.gz FQVKBOWMDRDTJI-OAHLLOKOSA-N 0 1 292.379 3.293 20 5 CGBDMN C[C@H]1CCC[C@@H](CNCc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984469 347249647 /nfs/dbraw/zinc/24/96/47/347249647.db2.gz IPENWZROSUONTF-GWCFXTLKSA-N 0 1 298.770 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QJPDZOQAFDLARG-MRVPVSSYSA-N 0 1 292.257 3.073 20 5 CGBDMN Cc1cccc2c1CCN2Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611561089 348461081 /nfs/dbraw/zinc/46/10/81/348461081.db2.gz DXHQSEILGFWBEP-UHFFFAOYSA-N 0 1 284.315 3.172 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCC3)C2)c(F)c1 ZINC000123347433 187086242 /nfs/dbraw/zinc/08/62/42/187086242.db2.gz LJNAGCSAHDKBRM-UHFFFAOYSA-N 0 1 264.300 3.110 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccco3)C2)cc1F ZINC000368476926 234312594 /nfs/dbraw/zinc/31/25/94/234312594.db2.gz HYZBCEPHOJJJIY-LBPRGKRZSA-N 0 1 290.294 3.316 20 5 CGBDMN C[C@@H]1CC(C)(C)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000412046260 235116391 /nfs/dbraw/zinc/11/63/91/235116391.db2.gz QVFCXWQIQYOQJG-SNVBAGLBSA-N 0 1 289.335 3.356 20 5 CGBDMN Cc1cc(CNCc2ccccc2[N+](=O)[O-])ccc1F ZINC000049943392 369423735 /nfs/dbraw/zinc/42/37/35/369423735.db2.gz LGVBYZUFKMQYHO-UHFFFAOYSA-N 0 1 274.295 3.332 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCCC(F)(F)F)c(Cl)c1 ZINC000063099935 369639462 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ZINC000185602149 374694998 /nfs/dbraw/zinc/69/49/98/374694998.db2.gz ZEKQYTWZHUEFLO-KOLCDFICSA-N 0 1 254.355 3.277 20 5 CGBDMN COc1ccc(C2(NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000539259971 376301745 /nfs/dbraw/zinc/30/17/45/376301745.db2.gz MAYNIDFKHYNDIL-UHFFFAOYSA-N 0 1 298.342 3.382 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](C3CC3)C2)c(Cl)c1 ZINC000543908822 376686621 /nfs/dbraw/zinc/68/66/21/376686621.db2.gz VFXBBHASYCHHMN-NSHDSACASA-N 0 1 280.755 3.480 20 5 CGBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC[C@@H]1CF ZINC000556950070 376910713 /nfs/dbraw/zinc/91/07/13/376910713.db2.gz LRKKNGDXIBMVNN-LDCOFTPGSA-N 0 1 278.327 3.432 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCc1nccs1 ZINC000269900835 378279113 /nfs/dbraw/zinc/27/91/13/378279113.db2.gz XHANLGJTTSVMEI-LLVKDONJSA-N 0 1 291.376 3.287 20 5 CGBDMN C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000348235123 378855463 /nfs/dbraw/zinc/85/54/63/378855463.db2.gz BPQNRIWRUDSKNU-CABZTGNLSA-N 0 1 288.269 3.368 20 5 CGBDMN CCN(CCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000355038598 380570398 /nfs/dbraw/zinc/57/03/98/380570398.db2.gz RFJUNTXZGPXZJS-UHFFFAOYSA-N 0 1 266.316 3.356 20 5 CGBDMN CO[C@@H](CC(C)C)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000419189076 380776620 /nfs/dbraw/zinc/77/66/20/380776620.db2.gz HGAAHRBOGHBWHC-AWEZNQCLSA-N 0 1 280.368 3.088 20 5 CGBDMN C[C@H](C1CCC1)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000357027803 380996751 /nfs/dbraw/zinc/99/67/51/380996751.db2.gz SWLZFVLKLJMYER-SECBINFHSA-N 0 1 254.355 3.277 20 5 CGBDMN CC[C@H]1CC[C@H](C)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558007 381210315 /nfs/dbraw/zinc/21/03/15/381210315.db2.gz ZLBLECOKUKCUJW-QWRGUYRKSA-N 0 1 266.316 3.497 20 5 CGBDMN Cc1ccc([N+](=O)[O-])c(Nc2cc3cn[nH]c3cc2C)n1 ZINC000357750984 381275999 /nfs/dbraw/zinc/27/59/99/381275999.db2.gz OYHRBWYBJUHAHS-UHFFFAOYSA-N 0 1 283.291 3.227 20 5 CGBDMN COCC[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361643049 381854239 /nfs/dbraw/zinc/85/42/39/381854239.db2.gz LKIZXUPZADZUAE-DGCLKSJQSA-N 0 1 298.408 3.293 20 5 CGBDMN COCCN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361643049 381854246 /nfs/dbraw/zinc/85/42/46/381854246.db2.gz LKIZXUPZADZUAE-DGCLKSJQSA-N 0 1 298.408 3.293 20 5 CGBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cncc(F)c1 ZINC000350358530 219009670 /nfs/dbraw/zinc/00/96/70/219009670.db2.gz QRRKDBVCSYMAGE-NSHDSACASA-N 0 1 289.310 3.288 20 5 CGBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1F ZINC000047887958 391991370 /nfs/dbraw/zinc/99/13/70/391991370.db2.gz NCBJDOHTTGRFCL-UHFFFAOYSA-N 0 1 290.294 3.032 20 5 CGBDMN C[C@H]1CCCN(CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301759662 392598034 /nfs/dbraw/zinc/59/80/34/392598034.db2.gz AUZOFLOTZUBYCL-JTQLQIEISA-N 0 1 299.321 3.017 20 5 CGBDMN Cc1cc(N2CCC[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000181515833 392732287 /nfs/dbraw/zinc/73/22/87/392732287.db2.gz UHGQGFANHHWAIS-LLVKDONJSA-N 0 1 271.320 3.440 20 5 CGBDMN Cc1n[nH]cc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180246941 392707424 /nfs/dbraw/zinc/70/74/24/392707424.db2.gz KIXXWOKDQBOKNQ-NXEZZACHSA-N 0 1 274.324 3.038 20 5 CGBDMN CCOc1cc(CN2CC(C)=C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430284098 393558899 /nfs/dbraw/zinc/55/88/99/393558899.db2.gz KPJXJNOHHUFYLT-GFCCVEGCSA-N 0 1 290.363 3.392 20 5 CGBDMN O=[N+]([O-])c1cccc(Cl)c1CN1C[C@@H]2CCC[C@H]2C1 ZINC000119325980 287168211 /nfs/dbraw/zinc/16/82/11/287168211.db2.gz SKJHWZHMWVIUHW-QWRGUYRKSA-N 0 1 280.755 3.480 20 5 CGBDMN O=[N+]([O-])c1cccc(CNCc2cccc(F)c2)c1 ZINC000020473319 171217307 /nfs/dbraw/zinc/21/73/07/171217307.db2.gz RLACHPVOAYFXID-UHFFFAOYSA-N 0 1 260.268 3.024 20 5 CGBDMN Cc1c(CN[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000035693265 172362214 /nfs/dbraw/zinc/36/22/14/172362214.db2.gz INNXWBMPCWRQSJ-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN Cc1c([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000037167410 173001436 /nfs/dbraw/zinc/00/14/36/173001436.db2.gz QJRPOQDNBXYPFY-MNOVXSKESA-N 0 1 288.351 3.049 20 5 CGBDMN Cc1ccccc1CNCc1ccccc1[N+](=O)[O-] ZINC000037487164 173230032 /nfs/dbraw/zinc/23/00/32/173230032.db2.gz AEKDRVUAAFKEFZ-UHFFFAOYSA-N 0 1 256.305 3.193 20 5 CGBDMN CCn1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499308 175184440 /nfs/dbraw/zinc/18/44/40/175184440.db2.gz WMFMNBACPWFIQW-RYUDHWBXSA-N 0 1 288.351 3.223 20 5 CGBDMN CO[C@]1(C)C[C@@H](N(C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948513 274087072 /nfs/dbraw/zinc/08/70/72/274087072.db2.gz VIMBGULZBSLPHG-GDBMZVCRSA-N 0 1 292.379 3.230 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccco1)CCC2 ZINC000192593313 275037914 /nfs/dbraw/zinc/03/79/14/275037914.db2.gz MCSGRGFATWIFHR-HNNXBMFYSA-N 0 1 272.304 3.355 20 5 CGBDMN Cc1cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000574702725 322452789 /nfs/dbraw/zinc/45/27/89/322452789.db2.gz DYVVOVAHKYJUEA-HNNXBMFYSA-N 0 1 283.331 3.075 20 5 CGBDMN CC(C)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)on1 ZINC000733756922 572600199 /nfs/dbraw/zinc/60/01/99/572600199.db2.gz JRKPCNUSNNRWOH-UHFFFAOYSA-N 0 1 293.254 3.098 20 5 CGBDMN C[C@H]1CC[C@H](C)N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872754 572695108 /nfs/dbraw/zinc/69/51/08/572695108.db2.gz BTHPDWFDWBHLGL-QWRGUYRKSA-N 0 1 266.316 3.354 20 5 CGBDMN CN(CCC1CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749530363 573016785 /nfs/dbraw/zinc/01/67/85/573016785.db2.gz FYGYISDHWWGPCS-UHFFFAOYSA-N 0 1 268.744 3.480 20 5 CGBDMN CC1(C)[C@@H]2CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000178021868 618854003 /nfs/dbraw/zinc/85/40/03/618854003.db2.gz XXGNRQKOUGCGJQ-PHIMTYICSA-N 0 1 280.755 3.336 20 5 CGBDMN O=[N+]([O-])c1ccc(CNc2nccn2C2CC2)cc1Cl ZINC000840886990 618894284 /nfs/dbraw/zinc/89/42/84/618894284.db2.gz QKLTXQXBBAGKMQ-UHFFFAOYSA-N 0 1 292.726 3.392 20 5 CGBDMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000903286821 621669964 /nfs/dbraw/zinc/66/99/64/621669964.db2.gz HHMNAWYBSDLKLX-ZJUUUORDSA-N 0 1 277.349 3.463 20 5 CGBDMN Cc1cnccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000229659180 626087610 /nfs/dbraw/zinc/08/76/10/626087610.db2.gz PRYDIUMFYRLEQW-GFCCVEGCSA-N 0 1 271.320 3.149 20 5 CGBDMN C[C@H]1CC(C)(C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839659688 626771667 /nfs/dbraw/zinc/77/16/67/626771667.db2.gz GNTYJVNKEGLJPX-JTQLQIEISA-N 0 1 266.316 3.354 20 5 CGBDMN CC[C@@]1(C)CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000758397993 626841883 /nfs/dbraw/zinc/84/18/83/626841883.db2.gz RZMBPNPQXVHEKQ-HNNXBMFYSA-N 0 1 288.351 3.024 20 5 CGBDMN CCc1cc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000766000554 627284945 /nfs/dbraw/zinc/28/49/45/627284945.db2.gz FHXAKHDIVIFKIK-OAHLLOKOSA-N 0 1 288.351 3.121 20 5 CGBDMN CCc1cc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000766000554 627284949 /nfs/dbraw/zinc/28/49/49/627284949.db2.gz FHXAKHDIVIFKIK-OAHLLOKOSA-N 0 1 288.351 3.121 20 5 CGBDMN CCCCC[C@@H]1CCCN1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779867553 628439010 /nfs/dbraw/zinc/43/90/10/628439010.db2.gz VVQRCYRLAGIKLK-CYBMUJFWSA-N 0 1 280.372 3.102 20 5 CGBDMN C[C@@H](NCc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553806 631794511 /nfs/dbraw/zinc/79/45/11/631794511.db2.gz KIMTVLLJCAXEET-SNVBAGLBSA-N 0 1 289.310 3.167 20 5 CGBDMN CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000824814443 633294666 /nfs/dbraw/zinc/29/46/66/633294666.db2.gz ADVUPALROZQULO-QMTHXVAHSA-N 0 1 298.770 3.105 20 5 CGBDMN CS[C@H](C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050634 633972925 /nfs/dbraw/zinc/97/29/25/633972925.db2.gz ALGJZGRGGDFFKU-BDAKNGLRSA-N 0 1 272.345 3.136 20 5 CGBDMN CCC(CC)(CO)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051530 633974814 /nfs/dbraw/zinc/97/48/14/633974814.db2.gz KXEQDPGKLXPGIS-LLVKDONJSA-N 0 1 298.358 3.183 20 5 CGBDMN COCC1(N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872057762 633980419 /nfs/dbraw/zinc/98/04/19/633980419.db2.gz IBJNTVOEYSLUBU-JTQLQIEISA-N 0 1 296.392 3.146 20 5 CGBDMN CCOC(C)(C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064732 633987749 /nfs/dbraw/zinc/98/77/49/633987749.db2.gz LCJZKOIAYLUFPL-SNVBAGLBSA-N 0 1 284.331 3.200 20 5 CGBDMN CC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000872079603 634003061 /nfs/dbraw/zinc/00/30/61/634003061.db2.gz JMAUKXOGDPCNRW-GMXABZIVSA-N 0 1 298.358 3.180 20 5 CGBDMN C[C@H](NCCc1ccoc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083801 634008086 /nfs/dbraw/zinc/00/80/86/634008086.db2.gz ACJLHKRCXRENKX-JTQLQIEISA-N 0 1 278.283 3.220 20 5 CGBDMN C[C@H](NC[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086396 634011397 /nfs/dbraw/zinc/01/13/97/634011397.db2.gz VROZAHXIZCAGOD-QPUJVOFHSA-N 0 1 288.269 3.430 20 5 CGBDMN CC(C)(CC(=O)OCc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000837749298 634980411 /nfs/dbraw/zinc/98/04/11/634980411.db2.gz VUDCRPOIADMDJQ-UHFFFAOYSA-N 0 1 293.319 3.170 20 5 CGBDMN CCC[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039676 637380896 /nfs/dbraw/zinc/38/08/96/637380896.db2.gz OEGHHIKSRYNWHM-GFCCVEGCSA-N 0 1 263.341 3.002 20 5 CGBDMN Cc1noc(CN2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000851968725 637562605 /nfs/dbraw/zinc/56/26/05/637562605.db2.gz QCPWNZQXWZEULE-UHFFFAOYSA-N 0 1 279.340 3.047 20 5 CGBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](CCF)C1 ZINC000852532605 637675052 /nfs/dbraw/zinc/67/50/52/637675052.db2.gz JYHSJJMEBVLIRL-NSHDSACASA-N 0 1 284.306 3.306 20 5 CGBDMN C[C@]1(Cc2cc(Cl)cs2)CCCN1CC[N+](=O)[O-] ZINC000932921069 639400116 /nfs/dbraw/zinc/40/01/16/639400116.db2.gz WLUIGIWHFYWYOG-GFCCVEGCSA-N 0 1 288.800 3.075 20 5 CGBDMN CC[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000042095340 639910391 /nfs/dbraw/zinc/91/03/91/639910391.db2.gz VKZXEESICHKCMN-GFCCVEGCSA-N 0 1 288.351 3.024 20 5 CGBDMN CC(=O)Nc1ccc2nc(-c3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC001250744797 805769083 /nfs/dbraw/zinc/76/90/83/805769083.db2.gz NSMAAEQZFLAMTJ-UHFFFAOYSA-N 0 1 296.286 3.097 20 5 CGBDMN COc1ccc(-c2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC001250837762 805786514 /nfs/dbraw/zinc/78/65/14/805786514.db2.gz KVFNLPLBUABYFD-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OCC3 ZINC001250871961 805791092 /nfs/dbraw/zinc/79/10/92/805791092.db2.gz HMEVCSPNABUFCA-UHFFFAOYSA-N 0 1 295.298 3.381 20 5 CGBDMN Cc1c2[nH]c(-c3cccc([N+](=O)[O-])c3N)nc2ccc1F ZINC001250952285 805808063 /nfs/dbraw/zinc/80/80/63/805808063.db2.gz BUXHGYMAAPLTKJ-UHFFFAOYSA-N 0 1 286.266 3.168 20 5 CGBDMN COc1cccc([N+](=O)[O-])c1-c1nc2ccc(C)cc2[nH]1 ZINC001251438491 805895640 /nfs/dbraw/zinc/89/56/40/805895640.db2.gz YNSDPDYZRRQZSX-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 ZINC001251473936 805899507 /nfs/dbraw/zinc/89/95/07/805899507.db2.gz TYRJAWAZMDIPKJ-UHFFFAOYSA-N 0 1 299.286 3.155 20 5 CGBDMN C[C@@H](N[C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000353629390 799330638 /nfs/dbraw/zinc/33/06/38/799330638.db2.gz FPMDKVQKPOKECS-MFKMUULPSA-N 0 1 286.335 3.046 20 5 CGBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCC3(CCC3)CO2)cs1 ZINC000716532763 800174996 /nfs/dbraw/zinc/17/49/96/800174996.db2.gz KHTKSCMQMYJUPT-GFCCVEGCSA-N 0 1 296.392 3.095 20 5 CGBDMN O=C(NCC1CCCCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC001297969481 809526251 /nfs/dbraw/zinc/52/62/51/809526251.db2.gz KUNWVVSLGQHPMU-UHFFFAOYSA-N 0 1 292.335 3.001 20 5 CGBDMN CC[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC001193607427 810918960 /nfs/dbraw/zinc/91/89/60/810918960.db2.gz UCQRQZQNOCFLQL-KOLCDFICSA-N 0 1 254.355 3.277 20 5 CGBDMN Nc1cc(F)cc(Cl)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210398062 814443857 /nfs/dbraw/zinc/44/38/57/814443857.db2.gz OORYYIJRKSXDNV-UHFFFAOYSA-N 0 1 297.673 3.419 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1Nc1ccnc(Cl)c1O ZINC001210444853 814459149 /nfs/dbraw/zinc/45/91/49/814459149.db2.gz UHMKHJNQOPBOLO-UHFFFAOYSA-N 0 1 295.682 3.101 20 5 CGBDMN O=[N+]([O-])c1cc(F)ccc1Nc1noc2cnccc21 ZINC001210952589 814689904 /nfs/dbraw/zinc/68/99/04/814689904.db2.gz LABRNVKQCTXIKA-UHFFFAOYSA-N 0 1 274.211 3.014 20 5 CGBDMN Cc1ccc([C@H](C)Oc2cc(O)ccc2[N+](=O)[O-])cn1 ZINC001225490014 817071684 /nfs/dbraw/zinc/07/16/84/817071684.db2.gz FGNBWNQOHARPBP-JTQLQIEISA-N 0 1 274.276 3.144 20 5 CGBDMN CC[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225714126 817153097 /nfs/dbraw/zinc/15/30/97/817153097.db2.gz ZHTRCTRMLSLZKV-NSHDSACASA-N 0 1 284.743 3.111 20 5 CGBDMN CC(C)C[C@@H](C)Oc1[nH]c(=O)nc2ccc([N+](=O)[O-])cc21 ZINC001227096689 817556916 /nfs/dbraw/zinc/55/69/16/817556916.db2.gz RLHNRMUTAYWRES-SECBINFHSA-N 0 1 291.307 3.057 20 5 CGBDMN CCC[C@H](C)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228860555 818026847 /nfs/dbraw/zinc/02/68/47/818026847.db2.gz VVGKSNGSWLWILA-LURJTMIESA-N 0 1 294.229 3.282 20 5 CGBDMN CCOc1ccccc1[C@@H](CC(C)C)NCC[N+](=O)[O-] ZINC001345066523 936799807 /nfs/dbraw/zinc/79/98/07/936799807.db2.gz TXEKKWVTTINTLR-CQSZACIVSA-N 0 1 280.368 3.039 20 5 CGBDMN CC[C@@H](Oc1nc(C)[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC001229378383 932142490 /nfs/dbraw/zinc/14/24/90/932142490.db2.gz LDLXNMDKHCKWJG-LLVKDONJSA-N 0 1 295.339 3.137 20 5 CGBDMN Nc1cc(CCCCNc2ccsc2[N+](=O)[O-])ccn1 ZINC001307219550 932779435 /nfs/dbraw/zinc/77/94/35/932779435.db2.gz SMBSZERXOSOPPN-UHFFFAOYSA-N 0 1 292.364 3.068 20 5 CGBDMN CN(Cc1cc(C(C)(C)C)[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC001320822653 934108989 /nfs/dbraw/zinc/10/89/89/934108989.db2.gz VMFWBQAKAUYBMW-UHFFFAOYSA-N 0 1 288.351 3.252 20 5 CGBDMN CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC001473472637 937807976 /nfs/dbraw/zinc/80/79/76/937807976.db2.gz PVAJJLDHKFUKQZ-NWDGAFQWSA-N 0 1 278.352 3.311 20 5 CGBDMN Cc1ccc(CN2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC001473699780 937818365 /nfs/dbraw/zinc/81/83/65/937818365.db2.gz FCGXJLVCTDHHPL-UHFFFAOYSA-N 0 1 280.343 3.475 20 5 CGBDMN O=[N+]([O-])c1ccc(CNCc2cccn2C2CC2)cc1 ZINC001330528757 935292510 /nfs/dbraw/zinc/29/25/10/935292510.db2.gz OBBYLIFSCKTSCA-UHFFFAOYSA-N 0 1 271.320 3.021 20 5 CGBDMN CC[C@H]1CCCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC001524683416 938044823 /nfs/dbraw/zinc/04/48/23/938044823.db2.gz PIRLSYHZSKXPOB-ONGXEEELSA-N 0 1 266.297 3.049 20 5 CGBDMN CC(C)c1ccc([C@@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC001559719050 938233452 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ZINC000074783239 345482593 /nfs/dbraw/zinc/48/25/93/345482593.db2.gz OPEMMCGCWNMNBE-UHFFFAOYSA-N 0 1 298.755 3.221 20 5 CGBDMN CC[C@H](CSC)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000091097164 345804216 /nfs/dbraw/zinc/80/42/16/345804216.db2.gz NMGNNCHMYYETPB-SNVBAGLBSA-N 0 1 274.411 3.230 20 5 CGBDMN Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c2cc([N+](=O)[O-])ccc2n1 ZINC000272799244 346412295 /nfs/dbraw/zinc/41/22/95/346412295.db2.gz DMWUMYZUIWXMMF-LYRGGWFBSA-N 0 1 299.330 3.183 20 5 CGBDMN Cc1cc(N2CCC[C@@H]3C[C@@H]32)c2cc([N+](=O)[O-])ccc2n1 ZINC000588066847 346748185 /nfs/dbraw/zinc/74/81/85/346748185.db2.gz ZSERYZUNGGGRGM-ABAIWWIYSA-N 0 1 283.331 3.440 20 5 CGBDMN C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593731593 347109656 /nfs/dbraw/zinc/10/96/56/347109656.db2.gz DUAAXFTXDLPYTC-PHIMTYICSA-N 0 1 292.335 3.056 20 5 CGBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOC(C)(C)C ZINC000595023789 347260475 /nfs/dbraw/zinc/26/04/75/347260475.db2.gz UCRJDKRLAQDLQJ-NSHDSACASA-N 0 1 296.367 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PQYUSNZSOHGUNZ-UHFFFAOYSA-N 0 1 286.331 3.202 20 5 CGBDMN CCO[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610341393 348375869 /nfs/dbraw/zinc/37/58/69/348375869.db2.gz IIUQVWSDMBELRL-CHWSQXEVSA-N 0 1 278.352 3.157 20 5 CGBDMN Cc1occc1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000611921606 348480591 /nfs/dbraw/zinc/48/05/91/348480591.db2.gz LRXCGVVFABAAHH-UHFFFAOYSA-N 0 1 297.314 3.387 20 5 CGBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2CCC[C@@H]21 ZINC000426475636 236297974 /nfs/dbraw/zinc/29/79/74/236297974.db2.gz YSAIHKBBWATIDZ-GWCFXTLKSA-N 0 1 264.300 3.108 20 5 CGBDMN C[C@@H]1C[C@@H](C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176981046 189018754 /nfs/dbraw/zinc/01/87/54/189018754.db2.gz VOPDFQRGJWTLSO-GHMZBOCLSA-N 0 1 289.335 3.214 20 5 CGBDMN Cc1cccc2nc(CNc3cc(C)c([N+](=O)[O-])cn3)[nH]c21 ZINC000301884832 201247567 /nfs/dbraw/zinc/24/75/67/201247567.db2.gz LQMLHNKFPDDXRZ-UHFFFAOYSA-N 0 1 297.318 3.095 20 5 CGBDMN Cc1c(NC(=O)c2cccc3cn[nH]c32)cccc1[N+](=O)[O-] ZINC000029602211 368898503 /nfs/dbraw/zinc/89/85/03/368898503.db2.gz MCHLEGVFLQMQBH-UHFFFAOYSA-N 0 1 296.286 3.032 20 5 CGBDMN Cc1cccc(CNCc2csc([N+](=O)[O-])c2)c1 ZINC000037562605 369089184 /nfs/dbraw/zinc/08/91/84/369089184.db2.gz MMNDLYQPMADMBT-UHFFFAOYSA-N 0 1 262.334 3.255 20 5 CGBDMN COc1cccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668294 369099061 /nfs/dbraw/zinc/09/90/61/369099061.db2.gz VBOFOCRFODMAFI-GFCCVEGCSA-N 0 1 286.331 3.454 20 5 CGBDMN CCC(CC)N(CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103482362 370331126 /nfs/dbraw/zinc/33/11/26/370331126.db2.gz DJWCSZQBWDDKDK-UHFFFAOYSA-N 0 1 298.358 3.371 20 5 CGBDMN O=[N+]([O-])c1cc(CN2CCC[C@H](C3CC3)C2)cs1 ZINC000344034202 217019663 /nfs/dbraw/zinc/01/96/63/217019663.db2.gz GWNLFPPTVKGFFF-LBPRGKRZSA-N 0 1 266.366 3.278 20 5 CGBDMN CN(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000287076003 371599227 /nfs/dbraw/zinc/59/92/27/371599227.db2.gz TUZQMNCYMTVPRU-LBPRGKRZSA-N 0 1 293.298 3.042 20 5 CGBDMN 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1 297.786 3.025 20 5 CGBDMN C[C@H](NCc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000184140051 374496398 /nfs/dbraw/zinc/49/63/98/374496398.db2.gz CABNBKPIVAFVJH-JTQLQIEISA-N 0 1 290.294 3.290 20 5 CGBDMN CN(Cc1ccc(F)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338907045 376567739 /nfs/dbraw/zinc/56/77/39/376567739.db2.gz XCWUGHVERCPJAK-UHFFFAOYSA-N 0 1 290.294 3.072 20 5 CGBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCS[C@H](C)C1 ZINC000246077681 376962485 /nfs/dbraw/zinc/96/24/85/376962485.db2.gz CYMQGKSDNCSLPS-GHMZBOCLSA-N 0 1 266.366 3.093 20 5 CGBDMN C[C@@H](Sc1nc(C2CC2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000266237318 190242351 /nfs/dbraw/zinc/24/23/51/190242351.db2.gz LBDUBIFUCSMBKQ-MRVPVSSYSA-N 0 1 290.348 3.444 20 5 CGBDMN C[C@@H](Sc1n[nH]c(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000266237318 190242352 /nfs/dbraw/zinc/24/23/52/190242352.db2.gz LBDUBIFUCSMBKQ-MRVPVSSYSA-N 0 1 290.348 3.444 20 5 CGBDMN CCOC1CC(N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000347464266 218243363 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O=[N+]([O-])c1cc(O)cc(-c2nc(C3CCCCC3)no2)c1 ZINC000362698561 382101860 /nfs/dbraw/zinc/10/18/60/382101860.db2.gz JJHHSCDLQSKCAT-UHFFFAOYSA-N 0 1 289.291 3.398 20 5 CGBDMN O=[N+]([O-])c1cc(CN[C@H]2CCc3ccccc32)cs1 ZINC000037562597 285086404 /nfs/dbraw/zinc/08/64/04/285086404.db2.gz YLMWHOBDEXPUCA-ZDUSSCGKSA-N 0 1 274.345 3.433 20 5 CGBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC=CCC1)CCO2 ZINC000356513787 285142053 /nfs/dbraw/zinc/14/20/53/285142053.db2.gz CBVNJQTWHXGUOD-CYBMUJFWSA-N 0 1 288.347 3.146 20 5 CGBDMN C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353846671 220361735 /nfs/dbraw/zinc/36/17/35/220361735.db2.gz QICPBYDQSZWTGG-SECBINFHSA-N 0 1 254.355 3.277 20 5 CGBDMN O=C(Nc1cccc2cc[nH]c21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000548146846 393179910 /nfs/dbraw/zinc/17/99/10/393179910.db2.gz LNRIINWQCUCJKN-UHFFFAOYSA-N 0 1 297.270 3.034 20 5 CGBDMN Cc1cc(N2CCSCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272788084 393266945 /nfs/dbraw/zinc/26/69/45/393266945.db2.gz BNRLVMYPPOBYKC-UHFFFAOYSA-N 0 1 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0 1 270.304 3.002 20 5 CGBDMN C[C@@H](N[C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903288202 621670520 /nfs/dbraw/zinc/67/05/20/621670520.db2.gz UVFQNKFJXZIYSC-ABAIWWIYSA-N 0 1 283.331 3.328 20 5 CGBDMN C[C@@H]1CC(C)(C)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839659690 626771419 /nfs/dbraw/zinc/77/14/19/626771419.db2.gz GNTYJVNKEGLJPX-SNVBAGLBSA-N 0 1 266.316 3.354 20 5 CGBDMN Cc1cc(C[C@@H](C)Nc2cc(Cl)ccc2[N+](=O)[O-])[nH]n1 ZINC000804563188 630537514 /nfs/dbraw/zinc/53/75/14/630537514.db2.gz YOFMVKDLSVAWDV-MRVPVSSYSA-N 0 1 294.742 3.323 20 5 CGBDMN C[C@@H]1CC(C)(C)CN1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840184819 630812049 /nfs/dbraw/zinc/81/20/49/630812049.db2.gz UJNZNDKKEIWQKS-LLVKDONJSA-N 0 1 288.351 3.022 20 5 CGBDMN CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000824814433 633294511 /nfs/dbraw/zinc/29/45/11/633294511.db2.gz ADVUPALROZQULO-HZMBPMFUSA-N 0 1 298.770 3.105 20 5 CGBDMN C[C@H](NC[C@H]1CCC(C)(C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064939 633987577 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371547871 /nfs/dbraw/zinc/54/78/71/371547871.db2.gz BLOFUNQODUHTFH-UHFFFAOYSA-N 0 1 298.342 3.382 20 5 CGBDMN O=[N+]([O-])c1ccc(CN(CCOC2CCC2)C2CC2)cc1 ZINC000287756541 371702752 /nfs/dbraw/zinc/70/27/52/371702752.db2.gz LXVQBSDQXKVWJL-UHFFFAOYSA-N 0 1 290.363 3.128 20 5 CGBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2CCC[C@H]21 ZINC000441441622 373014427 /nfs/dbraw/zinc/01/44/27/373014427.db2.gz RWNIBKYCXQPRLK-IUODEOHRSA-N 0 1 290.363 3.368 20 5 CGBDMN C[C@@H]1[C@@H](C)CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000172861282 373051696 /nfs/dbraw/zinc/05/16/96/373051696.db2.gz DONKBQNILSTOGJ-VHSXEESVSA-N 0 1 254.355 3.277 20 5 CGBDMN CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000173913482 373215260 /nfs/dbraw/zinc/21/52/60/373215260.db2.gz QZZWZTZLIJZEIJ-UHFFFAOYSA-N 0 1 254.717 3.233 20 5 CGBDMN O=[N+]([O-])c1cccc(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177182326 373660992 /nfs/dbraw/zinc/66/09/92/373660992.db2.gz FIMMOOZBBLKDDI-GJZGRUSLSA-N 0 1 292.404 3.455 20 5 CGBDMN C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182204232 374235099 /nfs/dbraw/zinc/23/50/99/374235099.db2.gz BUUXATIPHLCIRM-VIFPVBQESA-N 0 1 254.717 3.233 20 5 CGBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1cccnc1 ZINC000182932402 374344708 /nfs/dbraw/zinc/34/47/08/374344708.db2.gz PEXGPQOTTGUUSY-ZDUSSCGKSA-N 0 1 285.347 3.491 20 5 CGBDMN CC[C@H]1[C@@H](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417984 374532045 /nfs/dbraw/zinc/53/20/45/374532045.db2.gz DKHUMSJWEHGHTP-HZMBPMFUSA-N 0 1 288.351 3.092 20 5 CGBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000331530626 374541182 /nfs/dbraw/zinc/54/11/82/374541182.db2.gz QYDGLXOIGUYPAC-JTQLQIEISA-N 0 1 288.351 3.092 20 5 CGBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccccn1 ZINC000348291880 378889742 /nfs/dbraw/zinc/88/97/42/378889742.db2.gz JXUUMSIHSBXGLE-CYBMUJFWSA-N 0 1 285.347 3.225 20 5 CGBDMN CC(C)CN(CC(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274671601 378872585 /nfs/dbraw/zinc/87/25/85/378872585.db2.gz JOZXACUCXLWVES-UHFFFAOYSA-N 0 1 294.351 3.055 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2CCC(C(F)F)CC2)cc1 ZINC000353685901 220255975 /nfs/dbraw/zinc/25/59/75/220255975.db2.gz VPLVPUHMIMRQEM-UHFFFAOYSA-N 0 1 270.279 3.072 20 5 CGBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277155214 379085395 /nfs/dbraw/zinc/08/53/95/379085395.db2.gz GDTPPIYOAOZPHJ-VHSXEESVSA-N 0 1 289.339 3.400 20 5 CGBDMN CO[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000266633090 190272149 /nfs/dbraw/zinc/27/21/49/190272149.db2.gz QNCADKSBGAWEKR-CYBMUJFWSA-N 0 1 286.759 3.009 20 5 CGBDMN CC(C)n1nccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279963476 379564588 /nfs/dbraw/zinc/56/45/88/379564588.db2.gz PHLBXLMHZPJKIE-LBPRGKRZSA-N 0 1 288.351 3.223 20 5 CGBDMN CC(C)SCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000283702852 380083612 /nfs/dbraw/zinc/08/36/12/380083612.db2.gz YMTHFBGNGPGPDZ-UHFFFAOYSA-N 0 1 268.382 3.168 20 5 CGBDMN Cc1ccc(CNCc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353206703 380167629 /nfs/dbraw/zinc/16/76/29/380167629.db2.gz GKQDGCNAFZGBGW-UHFFFAOYSA-N 0 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C[C@H](N[C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521901 279537158 /nfs/dbraw/zinc/53/71/58/279537158.db2.gz GRBFTGFRWCSUJF-BIMULSAOSA-N 0 1 252.289 3.136 20 5 CGBDMN CC(C)O[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000566242876 322111170 /nfs/dbraw/zinc/11/11/70/322111170.db2.gz PJLKTRVWMYIURY-KEDPEKRHSA-N 0 1 290.363 3.107 20 5 CGBDMN O=[N+]([O-])c1cccc2c1CCN(C[C@@H]1CCCC1(F)F)C2 ZINC000573071078 322368585 /nfs/dbraw/zinc/36/85/85/322368585.db2.gz CJFVNTJCUIHANA-LBPRGKRZSA-N 0 1 296.317 3.388 20 5 CGBDMN CC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000382507488 336091862 /nfs/dbraw/zinc/09/18/62/336091862.db2.gz NDVWOKYTMZBQHG-GFCCVEGCSA-N 0 1 266.316 3.498 20 5 CGBDMN C[C@H](CN(C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183958412 524299460 /nfs/dbraw/zinc/29/94/60/524299460.db2.gz HELKNPCXFHISTM-LLVKDONJSA-N 0 1 291.376 3.287 20 5 CGBDMN O=[N+]([O-])c1ccc(CN2C3CCC2CC3)cc1Cl ZINC000783520115 618912473 /nfs/dbraw/zinc/91/24/73/618912473.db2.gz ACCZTUPVAIMKFF-UHFFFAOYSA-N 0 1 266.728 3.375 20 5 CGBDMN CCCN(CC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000918736618 624372692 /nfs/dbraw/zinc/37/26/92/624372692.db2.gz SVMYAIWNSIJESI-UHFFFAOYSA-N 0 1 280.372 3.041 20 5 CGBDMN CN(CCC1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514313 624642919 /nfs/dbraw/zinc/64/29/19/624642919.db2.gz CLELXVOWUITUEX-UHFFFAOYSA-N 0 1 268.744 3.480 20 5 CGBDMN CCc1ncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000922538362 626011520 /nfs/dbraw/zinc/01/15/20/626011520.db2.gz QMIDPZXKGSVSFG-SNVBAGLBSA-N 0 1 291.376 3.465 20 5 CGBDMN CC(C)n1nccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922538636 626011552 /nfs/dbraw/zinc/01/15/52/626011552.db2.gz URBTVDHZAZNHPU-GFCCVEGCSA-N 0 1 288.351 3.223 20 5 CGBDMN CC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774875085 628045799 /nfs/dbraw/zinc/04/57/99/628045799.db2.gz GWJRLHWWJHCAQP-UHFFFAOYSA-N 0 1 293.323 3.125 20 5 CGBDMN CCCCN(C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777951943 628314190 /nfs/dbraw/zinc/31/41/90/628314190.db2.gz NYSNQVFAOPICBU-UHFFFAOYSA-N 0 1 288.351 3.148 20 5 CGBDMN C[C@@H]1CCC[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865904 629388046 /nfs/dbraw/zinc/38/80/46/629388046.db2.gz CYOROTFKAOSBEH-PHIMTYICSA-N 0 1 293.323 3.266 20 5 CGBDMN Cc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793529742 629476737 /nfs/dbraw/zinc/47/67/37/629476737.db2.gz UHSYQZXWULOBDN-RYUDHWBXSA-N 0 1 288.351 3.049 20 5 CGBDMN CCC[C@@H](O)CCCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000865379780 630089473 /nfs/dbraw/zinc/08/94/73/630089473.db2.gz ZQUXPRVJEBBDOI-GFCCVEGCSA-N 0 1 299.392 3.475 20 5 CGBDMN CC(C)CN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804326135 630520554 /nfs/dbraw/zinc/52/05/54/630520554.db2.gz IQESFUNQOVJPHS-UHFFFAOYSA-N 0 1 297.786 3.026 20 5 CGBDMN Cc1cncc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866540373 633184226 /nfs/dbraw/zinc/18/42/26/633184226.db2.gz MYMBRKOOOOEODG-CYBMUJFWSA-N 0 1 285.347 3.457 20 5 CGBDMN COC[C@H](N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872039140 633959186 /nfs/dbraw/zinc/95/91/86/633959186.db2.gz QVHYKLOZPZJDDG-PWSUYJOCSA-N 0 1 284.331 3.056 20 5 CGBDMN C[C@@H](NC1CC(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047917 633970872 /nfs/dbraw/zinc/97/08/72/633970872.db2.gz GXGOWXSTWFTTBA-HWOCKDDLSA-N 0 1 252.289 3.183 20 5 CGBDMN C[C@H](N[C@H](CO)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051077 633974600 /nfs/dbraw/zinc/97/46/00/633974600.db2.gz FSVLOIPEDFWHEL-QWRGUYRKSA-N 0 1 298.358 3.182 20 5 CGBDMN CCC(O)(CC)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064763 633987826 /nfs/dbraw/zinc/98/78/26/633987826.db2.gz LRMOUDHMKMWMQB-NSHDSACASA-N 0 1 298.358 3.326 20 5 CGBDMN Cc1nccnc1[C@@H](C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000873188823 634276360 /nfs/dbraw/zinc/27/63/60/634276360.db2.gz MJLGGVPIZXNFFT-SMYYYNMVSA-N 0 1 298.346 3.057 20 5 CGBDMN CCn1ccnc1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840887730 635075834 /nfs/dbraw/zinc/07/58/34/635075834.db2.gz NTNXQYXRSSHHKC-UHFFFAOYSA-N 0 1 280.715 3.077 20 5 CGBDMN C[C@@H]1OCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208002 635414338 /nfs/dbraw/zinc/41/43/38/635414338.db2.gz OZFUBCCOWANEOH-QWRGUYRKSA-N 0 1 298.770 3.105 20 5 CGBDMN CC[C@@H]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000135191200 637095821 /nfs/dbraw/zinc/09/58/21/637095821.db2.gz SYUBPJCEXWRDRL-SNVBAGLBSA-N 0 1 268.744 3.480 20 5 CGBDMN Cc1ccccc1C(C)(C)NCc1cccnc1[N+](=O)[O-] ZINC000886218620 637463363 /nfs/dbraw/zinc/46/33/63/637463363.db2.gz ZHXWXIYXYWHAMQ-UHFFFAOYSA-N 0 1 285.347 3.323 20 5 CGBDMN C[C@H]1CSCCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000934301101 639576225 /nfs/dbraw/zinc/57/62/25/639576225.db2.gz SUAFXQSDVNOMEV-JTQLQIEISA-N 0 1 284.356 3.061 20 5 CGBDMN CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774322 640802366 /nfs/dbraw/zinc/80/23/66/640802366.db2.gz BDBSEWYQLXOHMR-NSHDSACASA-N 0 1 266.316 3.356 20 5 CGBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000253069735 640870129 /nfs/dbraw/zinc/87/01/29/640870129.db2.gz LVZUVPVLASAYGZ-WDEREUQCSA-N 0 1 266.316 3.212 20 5 CGBDMN COc1cccc(-c2nc3ccc(C)cc3[nH]2)c1[N+](=O)[O-] ZINC001250883597 805792853 /nfs/dbraw/zinc/79/28/53/805792853.db2.gz ZZAOTMTWOKQXRQ-UHFFFAOYSA-N 0 1 283.287 3.455 20 5 CGBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1C[C@@H](C)C[C@H]1CF ZINC001254551677 806447720 /nfs/dbraw/zinc/44/77/20/806447720.db2.gz CXAMTYIQMXESND-OBJOEFQTSA-N 0 1 280.343 3.206 20 5 CGBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@](C)(F)C1 ZINC001254553776 806449658 /nfs/dbraw/zinc/44/96/58/806449658.db2.gz YXXCTCVPKRZBLI-DOMZBBRYSA-N 0 1 280.343 3.350 20 5 CGBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(c2cccnc2)C1 ZINC001254560059 806451775 /nfs/dbraw/zinc/45/17/75/806451775.db2.gz OWXSJCKFPFXZOQ-CYBMUJFWSA-N 0 1 297.358 3.020 20 5 CGBDMN CCc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000765994731 800383598 /nfs/dbraw/zinc/38/35/98/800383598.db2.gz RNKNPCDTPZPYGP-NSHDSACASA-N 0 1 288.351 3.040 20 5 CGBDMN CCc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000765994731 800383605 /nfs/dbraw/zinc/38/36/05/800383605.db2.gz RNKNPCDTPZPYGP-NSHDSACASA-N 0 1 288.351 3.040 20 5 CGBDMN Cc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)on1 ZINC001248590021 804958493 /nfs/dbraw/zinc/95/84/93/804958493.db2.gz DSQOVYHDFZCFPF-UHFFFAOYSA-N 0 1 253.645 3.288 20 5 CGBDMN O=[N+]([O-])c1ccc(Nc2cc(Cc3ccccc3)no2)cn1 ZINC001203560787 812392571 /nfs/dbraw/zinc/39/25/71/812392571.db2.gz PKSBSWPHOLDARK-UHFFFAOYSA-N 0 1 296.286 3.312 20 5 CGBDMN Cc1ccncc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001205917762 813134018 /nfs/dbraw/zinc/13/40/18/813134018.db2.gz OWMDUWDHURDVPX-UHFFFAOYSA-N 0 1 291.738 3.241 20 5 CGBDMN CC(C)(C)c1nnc(Nc2ccc(O)c([N+](=O)[O-])c2)s1 ZINC001210393039 814440225 /nfs/dbraw/zinc/44/02/25/814440225.db2.gz UMSJRNLOSAJMKF-UHFFFAOYSA-N 0 1 294.336 3.193 20 5 CGBDMN COc1ccccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395483 814442016 /nfs/dbraw/zinc/44/20/16/814442016.db2.gz YBGVAXSFNJMJNO-UHFFFAOYSA-N 0 1 260.249 3.053 20 5 CGBDMN CN(C)c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210395474 814442073 /nfs/dbraw/zinc/44/20/73/814442073.db2.gz XRYZFXSJLPOWMM-UHFFFAOYSA-N 0 1 273.292 3.110 20 5 CGBDMN Cc1noc2ccc(Nc3ccc(O)c([N+](=O)[O-])c3)cc12 ZINC001210397688 814443595 /nfs/dbraw/zinc/44/35/95/814443595.db2.gz CRIXUSAQMASKSL-UHFFFAOYSA-N 0 1 285.259 3.494 20 5 CGBDMN O=[N+]([O-])c1cc(Nc2cccc3cnoc32)ccc1O ZINC001210398556 814444704 /nfs/dbraw/zinc/44/47/04/814444704.db2.gz IBVUKIRKZUCHSF-UHFFFAOYSA-N 0 1 271.232 3.185 20 5 CGBDMN CCCc1cc(Nc2ccc(F)cc2[N+](=O)[O-])on1 ZINC001210948826 814687023 /nfs/dbraw/zinc/68/70/23/814687023.db2.gz DZUYULADQATCIJ-UHFFFAOYSA-N 0 1 265.244 3.418 20 5 CGBDMN Cn1cncc1Nc1cccc2nc3ccccc3nc21 ZINC001211251480 814861686 /nfs/dbraw/zinc/86/16/86/814861686.db2.gz HBJKBCIQWIVHMT-UHFFFAOYSA-N 0 1 275.315 3.260 20 5 CGBDMN O=[N+]([O-])c1cc(F)cc(Nc2ccnn2-c2ccncc2)c1 ZINC001216481795 815836967 /nfs/dbraw/zinc/83/69/67/815836967.db2.gz DMVUTPKXNZKHGF-UHFFFAOYSA-N 0 1 299.265 3.058 20 5 CGBDMN CC1CCC(Oc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC001225492363 817073342 /nfs/dbraw/zinc/07/33/42/817073342.db2.gz WJKSYDZPCKVRQC-UHFFFAOYSA-N 0 1 251.282 3.258 20 5 CGBDMN CC(=O)[C@@H](Oc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC001225492514 817073524 /nfs/dbraw/zinc/07/35/24/817073524.db2.gz XGSTVYHHMYXCQU-OAHLLOKOSA-N 0 1 287.271 3.010 20 5 CGBDMN