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](NCc1cccc2c1NCCC2)c1ccccc1[N+](=O)[O-] ZINC000894370205 1013158209 /nfs/dbraw/zinc/15/82/09/1013158209.db2.gz HFIJJKRXVWTADK-CYBMUJFWSA-N 0 1 311.385 3.804 20 5 DHBDMN CC(C)C1(C)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000426749412 1013501456 /nfs/dbraw/zinc/50/14/56/1013501456.db2.gz FTUTWYHAJGTDGX-UHFFFAOYSA-N 0 1 317.389 3.994 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccncc3)C2)c(Cl)c1 ZINC000519641797 1013585240 /nfs/dbraw/zinc/58/52/40/1013585240.db2.gz GSFIRTKHVPSDEN-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1Nc1nc(C(F)(F)F)cs1 ZINC001210950575 1014095810 /nfs/dbraw/zinc/09/58/10/1014095810.db2.gz YMVRBXRWSTXXCL-UHFFFAOYSA-N 0 1 307.228 3.953 20 5 DHBDMN CC(C)CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740422 974985168 /nfs/dbraw/zinc/98/51/68/974985168.db2.gz XTUZQCDEDNFJGX-OAHLLOKOSA-N 0 1 320.389 3.694 20 5 DHBDMN CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740545 974985305 /nfs/dbraw/zinc/98/53/05/974985305.db2.gz FYIGFILDXKTJBC-SWLSCSKDSA-N 0 1 320.389 3.694 20 5 DHBDMN C[C@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCCCC1 ZINC000276131052 1014701759 /nfs/dbraw/zinc/70/17/59/1014701759.db2.gz AKYJVRQBMRVLEM-GFCCVEGCSA-N 0 1 316.361 3.582 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000772954944 1032102852 /nfs/dbraw/zinc/10/28/52/1032102852.db2.gz ZKBAUDBICDXMPJ-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@H]2C)c1F ZINC001173187082 1033584371 /nfs/dbraw/zinc/58/43/71/1033584371.db2.gz WMFSSOCOHGGEHH-VXGBXAGGSA-N 0 1 310.369 3.548 20 5 DHBDMN Cc1nc([C@H](C)NCCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000610946376 1015956146 /nfs/dbraw/zinc/95/61/46/1015956146.db2.gz KCKOBNDBTSSHSA-JTQLQIEISA-N 0 1 305.403 3.561 20 5 DHBDMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000119446449 1016073166 /nfs/dbraw/zinc/07/31/66/1016073166.db2.gz GVEGDLSVQJQWTB-LBPRGKRZSA-N 0 1 318.348 3.503 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000051532246 1016517952 /nfs/dbraw/zinc/51/79/52/1016517952.db2.gz SDCWSHOSPMJBDU-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN Cc1nn(C(C)C)cc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281463204 1016528076 /nfs/dbraw/zinc/52/80/76/1016528076.db2.gz UIXBVWDCLVWRIC-CYBMUJFWSA-N 0 1 316.405 3.840 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000072555483 1016557065 /nfs/dbraw/zinc/55/70/65/1016557065.db2.gz SMWPJVPAWCDUHX-ZDUSSCGKSA-N 0 1 300.358 3.796 20 5 DHBDMN CCCCN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158149106 1016651532 /nfs/dbraw/zinc/65/15/32/1016651532.db2.gz REAYOXXPANAIQY-UHFFFAOYSA-N 0 1 305.403 3.950 20 5 DHBDMN Cc1nc2cccc(C(=O)Nc3cc([N+](=O)[O-])c(C)cc3C)c2[nH]1 ZINC000338519424 1016683490 /nfs/dbraw/zinc/68/34/90/1016683490.db2.gz ZGNCDVMSBXWEAD-UHFFFAOYSA-N 0 1 324.340 3.649 20 5 DHBDMN C[C@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537636779 1032465930 /nfs/dbraw/zinc/46/59/30/1032465930.db2.gz VAUUSEBHGWGYDU-LBPRGKRZSA-N 0 1 318.398 3.792 20 5 DHBDMN COc1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000127057131 1012546127 /nfs/dbraw/zinc/54/61/27/1012546127.db2.gz SNIFLKMHICBPLA-UHFFFAOYSA-N 0 1 312.369 3.768 20 5 DHBDMN CC(C)CCN(C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053364146 1017548366 /nfs/dbraw/zinc/54/83/66/1017548366.db2.gz HSEAXDJWULWMOG-GFCCVEGCSA-N 0 1 318.377 3.684 20 5 DHBDMN CC(C)C[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665333 1017619078 /nfs/dbraw/zinc/61/90/78/1017619078.db2.gz UBEAGSRWLFGDBC-CYBMUJFWSA-N 0 1 316.405 3.872 20 5 DHBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000172619759 1018071460 /nfs/dbraw/zinc/07/14/60/1018071460.db2.gz RCZBXSUBYLJHKS-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN CS[C@H]1CCCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000441121481 1018261857 /nfs/dbraw/zinc/26/18/57/1018261857.db2.gz YCRCPMHOQOUMJI-ZDUSSCGKSA-N 0 1 314.838 3.966 20 5 DHBDMN CN(C)c1cccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783621036 1018316732 /nfs/dbraw/zinc/31/67/32/1018316732.db2.gz UUIKNBKCLJOLPL-UHFFFAOYSA-N 0 1 319.792 3.604 20 5 DHBDMN O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000704233941 1018529331 /nfs/dbraw/zinc/52/93/31/1018529331.db2.gz JZQRDQCQCNTMBE-NEPJUHHUSA-N 0 1 312.822 3.718 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H]3CC[C@@H](C2)S3)ccc1Cl ZINC000704233941 1018529341 /nfs/dbraw/zinc/52/93/41/1018529341.db2.gz JZQRDQCQCNTMBE-NEPJUHHUSA-N 0 1 312.822 3.718 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000131443823 1019296175 /nfs/dbraw/zinc/29/61/75/1019296175.db2.gz BGCFQACROJWEOB-MRXNPFEDSA-N 0 1 300.333 3.819 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2cc(C)ccc21 ZINC000765767593 1019775068 /nfs/dbraw/zinc/77/50/68/1019775068.db2.gz LHKFZFWUKKUAOG-KRWDZBQOSA-N 0 1 312.369 3.689 20 5 DHBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000067949206 1019820568 /nfs/dbraw/zinc/82/05/68/1019820568.db2.gz BAVJYZCYCNFQRF-ZDUSSCGKSA-N 0 1 309.753 3.556 20 5 DHBDMN Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000922666483 1020200729 /nfs/dbraw/zinc/20/07/29/1020200729.db2.gz ZLXVZSHVUFFMJI-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338889938 1020342609 /nfs/dbraw/zinc/34/26/09/1020342609.db2.gz KUNVGTKTKMMVSB-JTQLQIEISA-N 0 1 322.311 3.772 20 5 DHBDMN CC(C)CCn1cccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000161718218 1020412756 /nfs/dbraw/zinc/41/27/56/1020412756.db2.gz MSCJREUAMVLLFV-UHFFFAOYSA-N 0 1 301.390 3.732 20 5 DHBDMN CC[C@@H](N[C@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769179 1021168264 /nfs/dbraw/zinc/16/82/64/1021168264.db2.gz WOGWSSIFOGGNLC-MLGOLLRUSA-N 0 1 315.373 3.800 20 5 DHBDMN CCN(Cc1ccccc1C)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000917436949 1021260267 /nfs/dbraw/zinc/26/02/67/1021260267.db2.gz PHVYOLVXLNMNKW-UHFFFAOYSA-N 0 1 324.384 3.733 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568497 1021426629 /nfs/dbraw/zinc/42/66/29/1021426629.db2.gz XKHFJNOYTWPHJM-MGPLVRAMSA-N 0 1 315.373 3.928 20 5 DHBDMN CC[C@H]1C[C@@H](C)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442061 1021546546 /nfs/dbraw/zinc/54/65/46/1021546546.db2.gz WBZHVTXCGMOFEK-MNOVXSKESA-N 0 1 321.402 3.950 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@@H](O)c2ccccc21 ZINC000850530288 1021585275 /nfs/dbraw/zinc/58/52/75/1021585275.db2.gz YJGBPBFDIPFKEM-UYHISHBKSA-N 0 1 312.369 3.732 20 5 DHBDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000194810969 1021711148 /nfs/dbraw/zinc/71/11/48/1021711148.db2.gz NDFHJEQOEVSMOA-INIZCTEOSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1ccc2nc(CNc3cccc(F)c3[N+](=O)[O-])[nH]c2c1 ZINC000745975123 1021816501 /nfs/dbraw/zinc/81/65/01/1021816501.db2.gz APBFONHBFNGEFW-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN CN(Cc1cccc2cnccc21)Cc1ccccc1[N+](=O)[O-] ZINC000183062639 1021948495 /nfs/dbraw/zinc/94/84/95/1021948495.db2.gz IGTZPTGOBFMOOC-UHFFFAOYSA-N 0 1 307.353 3.775 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)c(F)c1 ZINC000155138197 1021968436 /nfs/dbraw/zinc/96/84/36/1021968436.db2.gz CSPXOVNLONMYGU-WCQYABFASA-N 0 1 320.286 3.945 20 5 DHBDMN CC(C)[C@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000920484997 1022127719 /nfs/dbraw/zinc/12/77/19/1022127719.db2.gz NBQLSWSPFNJHMR-GFCCVEGCSA-N 0 1 321.402 3.950 20 5 DHBDMN COc1cc(C)cc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000893189940 1022196714 /nfs/dbraw/zinc/19/67/14/1022196714.db2.gz GWPXBZYNSCLUJS-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CN(Cc1c(Cl)cccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038558 1022221238 /nfs/dbraw/zinc/22/12/38/1022221238.db2.gz ZPIJDGDBNBZHMY-GHMZBOCLSA-N 0 1 317.216 3.871 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCOC(C)(C)C ZINC000615835071 1022568617 /nfs/dbraw/zinc/56/86/17/1022568617.db2.gz GEPFPHPSOZJJJQ-KAMYIIQDSA-N 0 1 306.406 3.745 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCOC(C)(C)C ZINC000615835073 1022568772 /nfs/dbraw/zinc/56/87/72/1022568772.db2.gz GEPFPHPSOZJJJQ-SDNWHVSQSA-N 0 1 306.406 3.745 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(F)cn1)CCCC2 ZINC000417318379 1022674280 /nfs/dbraw/zinc/67/42/80/1022674280.db2.gz YQIYRUNCALZLFD-QGZVFWFLSA-N 0 1 315.348 3.686 20 5 DHBDMN Cc1noc(C)c1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308527 1022675472 /nfs/dbraw/zinc/67/54/72/1022675472.db2.gz CXJJVCWKZXAEOZ-QGZVFWFLSA-N 0 1 315.373 3.757 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](c2ccco2)C1 ZINC000746674388 1023431111 /nfs/dbraw/zinc/43/11/11/1023431111.db2.gz VUYJPCZVILMEJV-LLVKDONJSA-N 0 1 306.749 3.831 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000051501874 1024220289 /nfs/dbraw/zinc/22/02/89/1024220289.db2.gz HEJIIPIIAMOATE-NSHDSACASA-N 0 1 306.387 3.858 20 5 DHBDMN CC(C)CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000613914721 1024407605 /nfs/dbraw/zinc/40/76/05/1024407605.db2.gz OWKYBKUVCQZJSO-UHFFFAOYSA-N 0 1 314.341 3.603 20 5 DHBDMN Cc1c([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000271457818 1024512407 /nfs/dbraw/zinc/51/24/07/1024512407.db2.gz GZERDOZIKVAPDA-NEPJUHHUSA-N 0 1 317.393 3.557 20 5 DHBDMN CC[C@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000271473150 1024516707 /nfs/dbraw/zinc/51/67/07/1024516707.db2.gz IPCXVTUCFDDMBB-FZMZJTMJSA-N 0 1 317.393 3.638 20 5 DHBDMN CCn1ccc(CN(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000792184964 1024644449 /nfs/dbraw/zinc/64/44/49/1024644449.db2.gz YFJPYQLFLJPIMQ-UHFFFAOYSA-N 0 1 307.781 3.702 20 5 DHBDMN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cc(C)ccc1OC ZINC000772806970 1024721853 /nfs/dbraw/zinc/72/18/53/1024721853.db2.gz NVIFSLWJDSZCGJ-CYBMUJFWSA-N 0 1 318.329 3.548 20 5 DHBDMN COc1ccc(C[C@H](C)N2CCCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336313 1024746540 /nfs/dbraw/zinc/74/65/40/1024746540.db2.gz WGJFXUKGLQQJSZ-GUYCJALGSA-N 0 1 324.396 3.749 20 5 DHBDMN COc1ccc(C[C@H](C)N2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170329915 1024747547 /nfs/dbraw/zinc/74/75/47/1024747547.db2.gz WRSHVXMBVUFWAG-ZDUSSCGKSA-N 0 1 312.369 3.550 20 5 DHBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000792878019 1024821535 /nfs/dbraw/zinc/82/15/35/1024821535.db2.gz RBYXQOZJHFTINO-UHFFFAOYSA-N 0 1 321.358 3.589 20 5 DHBDMN CN(C)Cc1ccc(CNc2c(F)cccc2[N+](=O)[O-])cc1F ZINC000342732418 1025032849 /nfs/dbraw/zinc/03/28/49/1025032849.db2.gz VHRFRZNLGILXAG-UHFFFAOYSA-N 0 1 321.327 3.547 20 5 DHBDMN CCC[C@H](NCc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353872476 1025274808 /nfs/dbraw/zinc/27/48/08/1025274808.db2.gz VVUQZBGSQREOOC-KRWDZBQOSA-N 0 1 324.384 3.874 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2ccc(F)cc21 ZINC000279880922 1025303517 /nfs/dbraw/zinc/30/35/17/1025303517.db2.gz UPVWRWKJMNIJKT-MRXNPFEDSA-N 0 1 300.333 3.901 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217421 1025453922 /nfs/dbraw/zinc/45/39/22/1025453922.db2.gz VNFBZKSGLNBVRI-RYUDHWBXSA-N 0 1 314.389 3.722 20 5 DHBDMN CCOc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000126106718 1025465851 /nfs/dbraw/zinc/46/58/51/1025465851.db2.gz KGECFNQGRQODKI-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN C[C@@H](N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC000089909237 1026071468 /nfs/dbraw/zinc/07/14/68/1026071468.db2.gz ZVQRWJVIEAOETA-GFCCVEGCSA-N 0 1 315.373 3.870 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289652357 1026113321 /nfs/dbraw/zinc/11/33/21/1026113321.db2.gz TWFCIOPFHZVQDF-XOKHGSTOSA-N 0 1 316.401 3.689 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280133342 1026596487 /nfs/dbraw/zinc/59/64/87/1026596487.db2.gz CNZRBMURTDJRMD-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000809965935 1026647195 /nfs/dbraw/zinc/64/71/95/1026647195.db2.gz QCHGDGRHVFUMMU-SNVBAGLBSA-N 0 1 321.229 3.839 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ncco2)CC1 ZINC000931445788 1027125820 /nfs/dbraw/zinc/12/58/20/1027125820.db2.gz DPDYGNDWYYRAOQ-CYBMUJFWSA-N 0 1 315.373 3.832 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000362954014 1027463137 /nfs/dbraw/zinc/46/31/37/1027463137.db2.gz FRILZRZSEJASMG-ONGXEEELSA-N 0 1 303.366 3.708 20 5 DHBDMN CCn1cc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044021 1027526618 /nfs/dbraw/zinc/52/66/18/1027526618.db2.gz NIKNWBPNPHCUPS-STQMWFEESA-N 0 1 302.378 3.531 20 5 DHBDMN CCC[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575766 1028550720 /nfs/dbraw/zinc/55/07/20/1028550720.db2.gz ZQXVCQWOMJMRCL-BLLLJJGKSA-N 0 1 314.389 3.764 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475851 1028729125 /nfs/dbraw/zinc/72/91/25/1028729125.db2.gz QNKHBKGULAVJPL-IAGOWNOFSA-N 0 1 324.380 3.922 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](O)c2ccccc2C1 ZINC000371875849 1028769366 /nfs/dbraw/zinc/76/93/66/1028769366.db2.gz GWOMUVOQURKROV-MEQKGCOVSA-N 0 1 324.380 3.547 20 5 DHBDMN O=C(Oc1ccc(C2CC2)cc1Cl)c1ccc([N+](=O)[O-])[nH]1 ZINC000816217050 1028771602 /nfs/dbraw/zinc/77/16/02/1028771602.db2.gz JMSTXOVDNIEKGB-UHFFFAOYSA-N 0 1 306.705 3.673 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2ccncc2)C1 ZINC000451002208 1029763393 /nfs/dbraw/zinc/76/33/93/1029763393.db2.gz SEZSOVUMBSVMKO-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN CCCCn1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358657333 1030575600 /nfs/dbraw/zinc/57/56/00/1030575600.db2.gz RUKGDXNYWVBEGV-ZDUSSCGKSA-N 0 1 316.405 3.751 20 5 DHBDMN COc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000291686324 1030597714 /nfs/dbraw/zinc/59/77/14/1030597714.db2.gz IMDUPBGFCRCWRT-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN Cn1cnc2cc(CNC(C)(C)c3ccccc3[N+](=O)[O-])ccc21 ZINC000291730504 1030620589 /nfs/dbraw/zinc/62/05/89/1030620589.db2.gz NTFUTWZUNGDUOM-UHFFFAOYSA-N 0 1 324.384 3.506 20 5 DHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000926494003 1030763839 /nfs/dbraw/zinc/76/38/39/1030763839.db2.gz XOCITYKSQJGUGG-STQMWFEESA-N 0 1 314.389 3.928 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000359249769 1030867187 /nfs/dbraw/zinc/86/71/87/1030867187.db2.gz VNQXEJKLMZVFHQ-RYUDHWBXSA-N 0 1 303.337 3.849 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1cncc(F)c1 ZINC000359249767 1030867717 /nfs/dbraw/zinc/86/77/17/1030867717.db2.gz VNQXEJKLMZVFHQ-NWDGAFQWSA-N 0 1 303.337 3.849 20 5 DHBDMN CCc1onc(C)c1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927143401 1031117892 /nfs/dbraw/zinc/11/78/92/1031117892.db2.gz ZCQRMIGZHDVWMW-OAHLLOKOSA-N 0 1 303.362 3.695 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cnccc1C ZINC000872076924 1031474706 /nfs/dbraw/zinc/47/47/06/1031474706.db2.gz VONZZLUQXFJVDG-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN Cc1cnc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000872084129 1031480845 /nfs/dbraw/zinc/48/08/45/1031480845.db2.gz PIRSRWKRJUCKJI-ZDUSSCGKSA-N 0 1 317.364 3.639 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360686012 1031521525 /nfs/dbraw/zinc/52/15/25/1031521525.db2.gz PEOGJIIBKDGGJC-LJQANCHMSA-N 0 1 324.380 3.616 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000293641658 1031552931 /nfs/dbraw/zinc/55/29/31/1031552931.db2.gz IBRDKEWXBGNSAI-VHSXEESVSA-N 0 1 321.327 3.867 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@]2(CC2(F)F)C1 ZINC000846109768 1031860020 /nfs/dbraw/zinc/86/00/20/1031860020.db2.gz VNDUYDDLZYKSEL-VFQAQYNWSA-N 0 1 308.328 3.729 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@H]1CCCC1(F)F)CC2 ZINC001172911550 1033485362 /nfs/dbraw/zinc/48/53/62/1033485362.db2.gz JKKDTKYMYJILBX-HIFRSBDPSA-N 0 1 310.344 3.620 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@H]1CCCC1(F)F)CC2 ZINC001172911552 1033485468 /nfs/dbraw/zinc/48/54/68/1033485468.db2.gz JKKDTKYMYJILBX-ZFWWWQNUSA-N 0 1 310.344 3.620 20 5 DHBDMN COc1ccc(CNC2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000152873768 1033547532 /nfs/dbraw/zinc/54/75/32/1033547532.db2.gz XKTDWRSODJLYTK-UHFFFAOYSA-N 0 1 316.332 3.521 20 5 DHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nccs1 ZINC001173233981 1033608769 /nfs/dbraw/zinc/60/87/69/1033608769.db2.gz NLKLRRSGGCZPCX-WFASDCNBSA-N 0 1 317.414 3.819 20 5 DHBDMN COc1cccc2c1CN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173231554 1033609027 /nfs/dbraw/zinc/60/90/27/1033609027.db2.gz MRCDZKXCIFXSJJ-CYBMUJFWSA-N 0 1 312.369 3.550 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000878753400 1033819832 /nfs/dbraw/zinc/81/98/32/1033819832.db2.gz JQGVLGSLGPXZOJ-OAHLLOKOSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000878753400 1033819848 /nfs/dbraw/zinc/81/98/48/1033819848.db2.gz JQGVLGSLGPXZOJ-OAHLLOKOSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879671975 1034081412 /nfs/dbraw/zinc/08/14/12/1034081412.db2.gz INXNUUWUHQAMNR-VXGBXAGGSA-N 0 1 318.270 3.721 20 5 DHBDMN COc1ncc(Nc2ccc3cc4ccc(N)cc4nc3c2)cn1 ZINC001174034873 1034089024 /nfs/dbraw/zinc/08/90/24/1034089024.db2.gz GASYYKNQBGIXNG-UHFFFAOYSA-N 0 1 317.352 3.512 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc2nc[nH]c2c1 ZINC000864019565 1034258692 /nfs/dbraw/zinc/25/86/92/1034258692.db2.gz JWLAQRPIIOLCSA-UHFFFAOYSA-N 0 1 302.721 3.737 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(Cl)cn1)CCC2 ZINC000193069884 1034830480 /nfs/dbraw/zinc/83/04/80/1034830480.db2.gz BKMOZKGYFUXCIX-MRXNPFEDSA-N 0 1 317.776 3.810 20 5 DHBDMN CCC1(CC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001175898695 1035154030 /nfs/dbraw/zinc/15/40/30/1035154030.db2.gz VPCOINGQQHGUCP-UHFFFAOYSA-N 0 1 307.350 3.658 20 5 DHBDMN Cc1ccc2nc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000483853149 1035306410 /nfs/dbraw/zinc/30/64/10/1035306410.db2.gz FPIODMWIGJNJJF-ZDUSSCGKSA-N 0 1 324.384 3.939 20 5 DHBDMN CC[C@@H](NCc1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC001178203953 1035414765 /nfs/dbraw/zinc/41/47/65/1035414765.db2.gz GLRPRMRYJRBNJI-CQSZACIVSA-N 0 1 316.386 3.545 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000924799725 1035434560 /nfs/dbraw/zinc/43/45/60/1035434560.db2.gz UGYYBSWXQCKBCJ-CHWSQXEVSA-N 0 1 314.389 3.928 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000494699988 1035777575 /nfs/dbraw/zinc/77/75/75/1035777575.db2.gz AJCNDYSZYSLEOI-UKRRQHHQSA-N 0 1 304.390 3.547 20 5 DHBDMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220543 1036020471 /nfs/dbraw/zinc/02/04/71/1036020471.db2.gz QDQNGCQZWZQZKA-TZMCWYRMSA-N 0 1 320.414 3.657 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000027211595 1036219092 /nfs/dbraw/zinc/21/90/92/1036219092.db2.gz AQLQYEKHUOOWAR-GFCCVEGCSA-N 0 1 318.348 3.936 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC001183095281 1036522833 /nfs/dbraw/zinc/52/28/33/1036522833.db2.gz OBVCTUVSZFVIRJ-MRXNPFEDSA-N 0 1 320.433 3.849 20 5 DHBDMN CS[C@H]1CCCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492209499 1036787211 /nfs/dbraw/zinc/78/72/11/1036787211.db2.gz LOOSPPXOHLRIIE-NSHDSACASA-N 0 1 314.838 3.966 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(CCc2ccccc2)C2CC2)c(F)c1 ZINC001198063100 1036948974 /nfs/dbraw/zinc/94/89/74/1036948974.db2.gz ZQYYGDORLPXFHP-UHFFFAOYSA-N 0 1 314.360 3.941 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(C)(C)C)CC1 ZINC001198800933 1037139368 /nfs/dbraw/zinc/13/93/68/1037139368.db2.gz NNWMITOICIVDKM-XJKSGUPXSA-N 0 1 306.406 3.793 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000774910221 1037202230 /nfs/dbraw/zinc/20/22/30/1037202230.db2.gz UIXHFGQMUZYZLN-UHFFFAOYSA-N 0 1 319.361 3.659 20 5 DHBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609234040 1037416047 /nfs/dbraw/zinc/41/60/47/1037416047.db2.gz MFVWKGIENZIQPN-GOSISDBHSA-N 0 1 312.369 3.558 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCCO[C@@H](c2ccccc2)C1 ZINC000609234040 1037416050 /nfs/dbraw/zinc/41/60/50/1037416050.db2.gz MFVWKGIENZIQPN-GOSISDBHSA-N 0 1 312.369 3.558 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000609196494 1038074714 /nfs/dbraw/zinc/07/47/14/1038074714.db2.gz VYMLPBPLVUGIEW-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN C[C@@H](CF)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000588930247 1038407008 /nfs/dbraw/zinc/40/70/08/1038407008.db2.gz BNKMWZHYHCVPMH-NSHDSACASA-N 0 1 322.311 3.974 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1ccncc1 ZINC000589192462 1038447588 /nfs/dbraw/zinc/44/75/88/1038447588.db2.gz CAXXHQPQAZVGGY-SVEBXFOSSA-N 0 1 309.369 3.840 20 5 DHBDMN CCC[C@H](CNCc1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000598989516 1038966644 /nfs/dbraw/zinc/96/66/44/1038966644.db2.gz KKVBAKQDCNTSLG-CYBMUJFWSA-N 0 1 300.786 3.543 20 5 DHBDMN CC[C@H](OCCNCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000593663793 1038994087 /nfs/dbraw/zinc/99/40/87/1038994087.db2.gz ASPXXSDNKLXCJU-HNNXBMFYSA-N 0 1 320.414 3.914 20 5 DHBDMN O=[N+]([O-])c1cccc(CNC2(c3ccccc3F)CCC2)c1 ZINC000592144174 1039138561 /nfs/dbraw/zinc/13/85/61/1039138561.db2.gz ADXKICAFKGGSGX-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739611 1039139145 /nfs/dbraw/zinc/13/91/45/1039139145.db2.gz DHVLYRUDTFRKGG-WFASDCNBSA-N 0 1 320.389 3.694 20 5 DHBDMN C[C@@H](c1ccccc1F)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000603855203 1039189963 /nfs/dbraw/zinc/18/99/63/1039189963.db2.gz OEBFTXZKDVEMIK-ZDUSSCGKSA-N 0 1 318.348 3.806 20 5 DHBDMN CCN(CCNc1c(C)cccc1[N+](=O)[O-])CCC(F)(F)F ZINC000574212422 1039420222 /nfs/dbraw/zinc/42/02/22/1039420222.db2.gz LSWDCLNHBJIPRP-UHFFFAOYSA-N 0 1 319.327 3.589 20 5 DHBDMN O=[N+]([O-])c1ccc(N[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000604409309 1039457285 /nfs/dbraw/zinc/45/72/85/1039457285.db2.gz WCRZVACMSXYQJK-CQSZACIVSA-N 0 1 317.414 3.733 20 5 DHBDMN COC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502867 1039802814 /nfs/dbraw/zinc/80/28/14/1039802814.db2.gz RVJTZKRYJBXZJD-DLBZAZTESA-N 0 1 312.369 3.559 20 5 DHBDMN COc1c(C)cccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510058 1039813409 /nfs/dbraw/zinc/81/34/09/1039813409.db2.gz NZHPQICRYQUBDT-MRXNPFEDSA-N 0 1 312.369 3.689 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCCC3)O2)c(Cl)c1 ZINC000594523135 1039830729 /nfs/dbraw/zinc/83/07/29/1039830729.db2.gz OAEUGVMVGZAHNE-CQSZACIVSA-N 0 1 324.808 3.830 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H](OC2CCC2)C1 ZINC000594612900 1039874062 /nfs/dbraw/zinc/87/40/62/1039874062.db2.gz OUBJFSDCZQVKRV-DANOYGIBSA-N 0 1 316.401 3.642 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088906 1040075022 /nfs/dbraw/zinc/07/50/22/1040075022.db2.gz LQGXRPLTFZJYML-SJKOYZFVSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1c([C@H](C)N[C@@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092816 1040078869 /nfs/dbraw/zinc/07/88/69/1040078869.db2.gz XDSFYBVKFBRZTK-YVEFUNNKSA-N 0 1 312.369 3.947 20 5 DHBDMN COc1cccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595409754 1040130267 /nfs/dbraw/zinc/13/02/67/1040130267.db2.gz GZBJZKIPCPQELD-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595409253 1040131472 /nfs/dbraw/zinc/13/14/72/1040131472.db2.gz COHXHBXRTIDION-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)c([N+](=O)[O-])s1 ZINC000596074833 1040301229 /nfs/dbraw/zinc/30/12/29/1040301229.db2.gz HGLPNNJJYGINKH-LBPRGKRZSA-N 0 1 311.432 3.741 20 5 DHBDMN Cc1nc(CSCc2cc(O)ccc2[N+](=O)[O-])sc1C ZINC000593188818 1040480564 /nfs/dbraw/zinc/48/05/64/1040480564.db2.gz CQGGFWHDOPMMJB-UHFFFAOYSA-N 0 1 310.400 3.807 20 5 DHBDMN CC(C)n1ccc(CSCc2cc(O)ccc2[N+](=O)[O-])n1 ZINC000593189114 1040490860 /nfs/dbraw/zinc/49/08/60/1040490860.db2.gz VZPNSBBUJJCWHZ-UHFFFAOYSA-N 0 1 307.375 3.511 20 5 DHBDMN Cc1nc(C)c(CSCc2cc(O)ccc2[N+](=O)[O-])s1 ZINC000593189615 1040494052 /nfs/dbraw/zinc/49/40/52/1040494052.db2.gz VQTIAHQMFLSEBK-UHFFFAOYSA-N 0 1 310.400 3.807 20 5 DHBDMN Cc1ccc([C@@H](CNc2ccsc2[N+](=O)[O-])N2CCCC2)o1 ZINC000608779151 1040611749 /nfs/dbraw/zinc/61/17/49/1040611749.db2.gz ZDTCWDZPENFMKA-CYBMUJFWSA-N 0 1 321.402 3.807 20 5 DHBDMN CCS[C@H]1CC[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350075 1040629954 /nfs/dbraw/zinc/62/99/54/1040629954.db2.gz GIGGLRIVAARAGA-KGLIPLIRSA-N 0 1 312.410 3.840 20 5 DHBDMN Cc1cc(C)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602838726 1041253613 /nfs/dbraw/zinc/25/36/13/1041253613.db2.gz HHPROHJICKQRDK-UHFFFAOYSA-N 0 1 313.401 3.940 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2cccnc2)C1 ZINC000602854948 1041264956 /nfs/dbraw/zinc/26/49/56/1041264956.db2.gz NWSRISKBGJBTEQ-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1C ZINC000272812460 130065552 /nfs/dbraw/zinc/06/55/52/130065552.db2.gz BYTYZGOKOMUDQD-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC=C(c2cccnc2)C1 ZINC000289270988 131369991 /nfs/dbraw/zinc/36/99/91/131369991.db2.gz FCLGLZJVALHXAN-CQSZACIVSA-N 0 1 309.369 3.840 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289484383 131389599 /nfs/dbraw/zinc/38/95/99/131389599.db2.gz IOROJLZPPYOOGI-XYPHTWIQSA-N 0 1 316.401 3.689 20 5 DHBDMN CCS[C@H]1CCCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000353610003 132111604 /nfs/dbraw/zinc/11/16/04/132111604.db2.gz VKJFIXPGKPLQCK-LBPRGKRZSA-N 0 1 300.449 3.764 20 5 DHBDMN CCC[C@@H](N[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163894845 132125783 /nfs/dbraw/zinc/12/57/83/132125783.db2.gz OXIRFKVUYYGCJG-BLLLJJGKSA-N 0 1 302.378 3.520 20 5 DHBDMN CC[C@@H](C)n1nc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1C ZINC000542863667 435648170 /nfs/dbraw/zinc/64/81/70/435648170.db2.gz ACQAXSBFAQRLGG-LLVKDONJSA-N 0 1 303.366 3.826 20 5 DHBDMN COc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000323050721 331595268 /nfs/dbraw/zinc/59/52/68/331595268.db2.gz GWPHPVRTXMNCFU-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000079723999 331682986 /nfs/dbraw/zinc/68/29/86/331682986.db2.gz LBVJMYWINLFQPS-NWDGAFQWSA-N 0 1 315.329 3.915 20 5 DHBDMN Cc1ccc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000363679207 332218054 /nfs/dbraw/zinc/21/80/54/332218054.db2.gz VSVPEZKEVATCPI-UHFFFAOYSA-N 0 1 311.385 3.678 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC=C(c2ccccn2)C1 ZINC000555878328 332266132 /nfs/dbraw/zinc/26/61/32/332266132.db2.gz JBVCTGHHMZUYEC-CQSZACIVSA-N 0 1 309.369 3.840 20 5 DHBDMN CCOc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119702191 333256924 /nfs/dbraw/zinc/25/69/24/333256924.db2.gz UGZLAKLPSLUGIJ-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000411898513 333713107 /nfs/dbraw/zinc/71/31/07/333713107.db2.gz ZSTCWCUFIBLJJW-MRXNPFEDSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1c(CN[C@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000342304634 334526788 /nfs/dbraw/zinc/52/67/88/334526788.db2.gz QGAGBBOMZYBBJQ-MRXNPFEDSA-N 0 1 316.405 3.514 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1nc(C)c(C)s1 ZINC000344982982 335292966 /nfs/dbraw/zinc/29/29/66/335292966.db2.gz PNYWFNDPOSJDKI-YRNVUSSQSA-N 0 1 317.414 3.861 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccccc1F)CCC2 ZINC000192597923 336178396 /nfs/dbraw/zinc/17/83/96/336178396.db2.gz VYQHLUVAMLCDIC-QGZVFWFLSA-N 0 1 300.333 3.901 20 5 DHBDMN Cc1ccc(NCc2ccc(F)c(CN(C)C)c2)c([N+](=O)[O-])c1 ZINC000301454454 336307927 /nfs/dbraw/zinc/30/79/27/336307927.db2.gz BKKOUFSBWQUARH-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN CN1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301879375 336335777 /nfs/dbraw/zinc/33/57/77/336335777.db2.gz ZIQZGYVUKFOQPI-WBVHZDCISA-N 0 1 315.348 3.591 20 5 DHBDMN C[N@@H+]1CC=C(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000392890370 337079721 /nfs/dbraw/zinc/07/97/21/337079721.db2.gz NMTPHXPMOUTETI-UHFFFAOYSA-N 0 1 316.188 3.575 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000177225717 337154837 /nfs/dbraw/zinc/15/48/37/337154837.db2.gz LISVWZHPPHLPJE-CQSZACIVSA-N 0 1 322.368 3.631 20 5 DHBDMN O=[N+]([O-])c1cccc([C@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2)c1 ZINC000180549632 337176276 /nfs/dbraw/zinc/17/62/76/337176276.db2.gz CUZBOPHFBIEPQH-AKHDSKFASA-N 0 1 324.380 3.594 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(F)(F)[C@@H](C)C1 ZINC000582877416 337209691 /nfs/dbraw/zinc/20/96/91/337209691.db2.gz OBLWUTPFODPYFW-RPHSKFLZSA-N 0 1 310.344 3.975 20 5 DHBDMN CCCc1nc(C)c(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000428963529 338066998 /nfs/dbraw/zinc/06/69/98/338066998.db2.gz DBTKQMPATFFMOQ-UHFFFAOYSA-N 0 1 317.389 3.518 20 5 DHBDMN Cc1nc2ccccn2c1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429227894 338073965 /nfs/dbraw/zinc/07/39/65/338073965.db2.gz ASWLAWUSPKODIX-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000430226086 338102207 /nfs/dbraw/zinc/10/22/07/338102207.db2.gz ZWXVLZOUUQBMNK-SFHVURJKSA-N 0 1 312.369 3.844 20 5 DHBDMN Cc1cc(Cl)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432585587 338159856 /nfs/dbraw/zinc/15/98/56/338159856.db2.gz SVZDLCXWQAGKQE-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN CC(=O)Nc1ccc(SCc2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000436475185 338273548 /nfs/dbraw/zinc/27/35/48/338273548.db2.gz NMDPPSHSWFYRNW-UHFFFAOYSA-N 0 1 318.354 3.551 20 5 DHBDMN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301277 338820909 /nfs/dbraw/zinc/82/09/09/338820909.db2.gz XKRXFPRFIAKEOC-SCRDCRAPSA-N 0 1 312.360 3.939 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCOCc1ccccc1 ZINC000464859808 339158441 /nfs/dbraw/zinc/15/84/41/339158441.db2.gz YTIQZFXERBNORM-HNNXBMFYSA-N 0 1 314.385 3.804 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)CCC(F)(F)F ZINC000470178882 339312954 /nfs/dbraw/zinc/31/29/54/339312954.db2.gz PHHVWECEYLQBAA-DHZHZOJOSA-N 0 1 302.296 3.882 20 5 DHBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000471049527 339335858 /nfs/dbraw/zinc/33/58/58/339335858.db2.gz ZMAYKIHXMHJEGL-RDTXWAMCSA-N 0 1 312.369 3.667 20 5 DHBDMN Cc1c(CNCc2scnc2C2CC2)cccc1[N+](=O)[O-] ZINC000487204337 339746278 /nfs/dbraw/zinc/74/62/78/339746278.db2.gz UCPAXKVYGFVQNU-UHFFFAOYSA-N 0 1 303.387 3.527 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCSCC2)s1 ZINC000506368408 340193388 /nfs/dbraw/zinc/19/33/88/340193388.db2.gz IDJUWUWJBLHQAE-UHFFFAOYSA-N 0 1 320.439 3.872 20 5 DHBDMN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000540191619 340922620 /nfs/dbraw/zinc/92/26/20/340922620.db2.gz RNSLNBJXEHEYGW-PIGZYNQJSA-N 0 1 300.333 3.757 20 5 DHBDMN COc1ccc(C2(NCc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000543630602 341051983 /nfs/dbraw/zinc/05/19/83/341051983.db2.gz YBDAXIXGFUJEED-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN CC1(C)Cc2cccc(CNCc3ccc([N+](=O)[O-])cc3)c2O1 ZINC000078005832 341233711 /nfs/dbraw/zinc/23/37/11/341233711.db2.gz AUJGAKJCNZPAKN-UHFFFAOYSA-N 0 1 312.369 3.598 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(C3)CCCCC4)nc2c1 ZINC000547853015 341237888 /nfs/dbraw/zinc/23/78/88/341237888.db2.gz OMKRJDCXFSIYIU-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C ZINC000549859824 341305170 /nfs/dbraw/zinc/30/51/70/341305170.db2.gz BJKLYOQHAMQFQH-UWVGGRQHSA-N 0 1 302.296 3.701 20 5 DHBDMN COc1cc(CN2CC(C)(C)[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000550444420 341317236 /nfs/dbraw/zinc/31/72/36/341317236.db2.gz UXPNMWXZVDLCQN-TZMCWYRMSA-N 0 1 322.380 3.753 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc2c(n1)CCCC2 ZINC000565218889 341520574 /nfs/dbraw/zinc/52/05/74/341520574.db2.gz SODWGBAUBTUXNJ-GOSISDBHSA-N 0 1 323.396 3.646 20 5 DHBDMN COc1ccc(F)cc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000179947070 524328561 /nfs/dbraw/zinc/32/85/61/524328561.db2.gz CQYSQNZJLCJWRZ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cnn1C(C)(C)C ZINC000191351125 525920069 /nfs/dbraw/zinc/92/00/69/525920069.db2.gz VQXXNEBHLFBRCY-LBPRGKRZSA-N 0 1 316.405 3.706 20 5 DHBDMN Cc1nc([C@@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000189786231 527052876 /nfs/dbraw/zinc/05/28/76/527052876.db2.gz OGPDRCLLAIQKFT-INIZCTEOSA-N 0 1 317.414 3.739 20 5 DHBDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091859281 1014300897 /nfs/dbraw/zinc/30/08/97/1014300897.db2.gz OEWGCUUQDKKFJH-NWDGAFQWSA-N 0 1 317.414 3.949 20 5 DHBDMN C[C@@H]1[C@@H](C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000091859281 1014300911 /nfs/dbraw/zinc/30/09/11/1014300911.db2.gz OEWGCUUQDKKFJH-NWDGAFQWSA-N 0 1 317.414 3.949 20 5 DHBDMN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000275946448 1014331294 /nfs/dbraw/zinc/33/12/94/1014331294.db2.gz ZXBUZYSWLLTBRC-OAHLLOKOSA-N 0 1 318.348 3.983 20 5 DHBDMN CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594930916 982556931 /nfs/dbraw/zinc/55/69/31/982556931.db2.gz BXPJDCPYUCNLAJ-SWLSCSKDSA-N 0 1 320.389 3.694 20 5 DHBDMN CC[C@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276291995 1014916242 /nfs/dbraw/zinc/91/62/42/1014916242.db2.gz HZPQSXDVKWOIJJ-OAHLLOKOSA-N 0 1 303.337 3.712 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nccs3)C2)cc1Cl ZINC000895580055 1015215896 /nfs/dbraw/zinc/21/58/96/1015215896.db2.gz FBQKVOYPGCYEDS-LLVKDONJSA-N 0 1 323.805 3.694 20 5 DHBDMN Cc1ccc(CNCc2ccc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC000895832754 1015326208 /nfs/dbraw/zinc/32/62/08/1015326208.db2.gz IUNPZMPBNKQMHI-UHFFFAOYSA-N 0 1 313.401 3.787 20 5 DHBDMN CCn1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)c(C)n1 ZINC000891624793 1015461938 /nfs/dbraw/zinc/46/19/38/1015461938.db2.gz GQFLBBLMBQUZGX-UHFFFAOYSA-N 0 1 316.405 3.530 20 5 DHBDMN COCCN(Cc1cccs1)Cc1cccc([N+](=O)[O-])c1C ZINC000051283086 1015472304 /nfs/dbraw/zinc/47/23/04/1015472304.db2.gz CQMYKRKXRQGCLP-UHFFFAOYSA-N 0 1 320.414 3.613 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](c3ccncc3)C2)c1 ZINC000846905390 1032129022 /nfs/dbraw/zinc/12/90/22/1032129022.db2.gz IZMPLMPKFWWRFF-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277233174 1016088005 /nfs/dbraw/zinc/08/80/05/1016088005.db2.gz MLZNUSQAWUIMEZ-SRVKXCTJSA-N 0 1 317.393 3.638 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](c2ccncc2)C1 ZINC000846905886 1032144509 /nfs/dbraw/zinc/14/45/09/1032144509.db2.gz MODXMRXQKLOVRC-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277382121 1016259308 /nfs/dbraw/zinc/25/93/08/1016259308.db2.gz ISHISURICVQFQN-RKDXNWHRSA-N 0 1 307.329 3.539 20 5 DHBDMN COCCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1C ZINC000051375671 1016303986 /nfs/dbraw/zinc/30/39/86/1016303986.db2.gz AZDSOJYUTRKBCP-UHFFFAOYSA-N 0 1 314.385 3.552 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000339027419 1016798651 /nfs/dbraw/zinc/79/86/51/1016798651.db2.gz NOQUAWMUUHQDFB-LJQANCHMSA-N 0 1 324.380 3.952 20 5 DHBDMN COc1cc(CN[C@@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000348110423 1032463917 /nfs/dbraw/zinc/46/39/17/1032463917.db2.gz MTIDUUWCYBYMBS-NSHDSACASA-N 0 1 304.346 3.664 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCSc3ccccc32)cc1 ZINC000034996515 1011956657 /nfs/dbraw/zinc/95/66/57/1011956657.db2.gz UQUAERCSUSDGSE-HNNXBMFYSA-N 0 1 300.383 3.922 20 5 DHBDMN CC(C)CN(CC(C)(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434381996 1012229930 /nfs/dbraw/zinc/22/99/30/1012229930.db2.gz FKVCKTURXSWEAV-UHFFFAOYSA-N 0 1 324.425 3.586 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000514832998 1012461938 /nfs/dbraw/zinc/46/19/38/1012461938.db2.gz MLWXAMLPBHVPOE-UHFFFAOYSA-N 0 1 302.378 3.560 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2)C1 ZINC000075744910 1017327687 /nfs/dbraw/zinc/32/76/87/1017327687.db2.gz JVCXIFXZPHJNPB-ZBFHGGJFSA-N 0 1 312.369 3.809 20 5 DHBDMN CC[C@H](C)[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651432 1017606514 /nfs/dbraw/zinc/60/65/14/1017606514.db2.gz VFZOYRLTQVVBCV-LRDDRELGSA-N 0 1 316.405 3.872 20 5 DHBDMN CC[C@H](NCc1cccc(OC)c1F)c1cccc([N+](=O)[O-])c1 ZINC000192692874 1032725862 /nfs/dbraw/zinc/72/58/62/1032725862.db2.gz IIUKAJCZNSJZET-HNNXBMFYSA-N 0 1 318.348 3.983 20 5 DHBDMN CC1(C)CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000093339786 1017953868 /nfs/dbraw/zinc/95/38/68/1017953868.db2.gz HHHWYYOBXJYKGE-UHFFFAOYSA-N 0 1 317.414 3.950 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCCC4(CCCC4)C3)nc2c1 ZINC000445867587 1018000462 /nfs/dbraw/zinc/00/04/62/1018000462.db2.gz WUTZGJMFXBQMGU-UHFFFAOYSA-N 0 1 315.373 3.892 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000764627518 1018335878 /nfs/dbraw/zinc/33/58/78/1018335878.db2.gz IWRIAFIGYDMVJX-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](c2ccncc2)C1 ZINC000514947800 1018802796 /nfs/dbraw/zinc/80/27/96/1018802796.db2.gz KSEIAIUZRPCVRP-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN CC[C@H](NCc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819249 1018900264 /nfs/dbraw/zinc/90/02/64/1018900264.db2.gz WUYUTGBSQFHFOX-KRWDZBQOSA-N 0 1 314.389 3.757 20 5 DHBDMN COc1cc(CN2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000248632032 1019080907 /nfs/dbraw/zinc/08/09/07/1019080907.db2.gz RKPQQCPDRJNGHC-SMDDNHRTSA-N 0 1 308.353 3.507 20 5 DHBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000923470433 1019219280 /nfs/dbraw/zinc/21/92/80/1019219280.db2.gz PUVDFBLDPFGNNK-CXAGYDPISA-N 0 1 320.389 3.541 20 5 DHBDMN CN[C@@H](CC(C)(C)C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178867 1019228013 /nfs/dbraw/zinc/22/80/13/1019228013.db2.gz OEBMQCXYRVFYFI-LBPRGKRZSA-N 0 1 318.377 3.650 20 5 DHBDMN CCC[C@@H](NC[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010201 1032818119 /nfs/dbraw/zinc/81/81/19/1032818119.db2.gz YMHKYMKHZGITPU-OLZOCXBDSA-N 0 1 320.311 3.603 20 5 DHBDMN Cc1ccc(CN2CCC[C@H]2c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000611265352 1019427905 /nfs/dbraw/zinc/42/79/05/1019427905.db2.gz AHPDSBQFUQXZTA-KRWDZBQOSA-N 0 1 312.369 3.946 20 5 DHBDMN Cc1cccc(NC[C@@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000338646167 1019448144 /nfs/dbraw/zinc/44/81/44/1019448144.db2.gz YQGXYZMUKDNSPH-AWEZNQCLSA-N 0 1 305.403 3.680 20 5 DHBDMN COc1ccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000084439677 1020001221 /nfs/dbraw/zinc/00/12/21/1020001221.db2.gz WCMCVSHXEHIOKL-UHFFFAOYSA-N 0 1 306.749 3.547 20 5 DHBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000318036428 1020024751 /nfs/dbraw/zinc/02/47/51/1020024751.db2.gz BGIWJPNWVXHGQT-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CCC[C@@H](NCc1cc(CC)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000765994106 1020191845 /nfs/dbraw/zinc/19/18/45/1020191845.db2.gz PFCDSDWPKPLODL-MRXNPFEDSA-N 0 1 302.378 3.511 20 5 DHBDMN CCC[C@@H](NCc1cc(CC)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000765994106 1020191848 /nfs/dbraw/zinc/19/18/48/1020191848.db2.gz PFCDSDWPKPLODL-MRXNPFEDSA-N 0 1 302.378 3.511 20 5 DHBDMN C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338889939 1020341557 /nfs/dbraw/zinc/34/15/57/1020341557.db2.gz KUNVGTKTKMMVSB-SNVBAGLBSA-N 0 1 322.311 3.772 20 5 DHBDMN C[C@@H](c1ccc(F)cc1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338890607 1020343110 /nfs/dbraw/zinc/34/31/10/1020343110.db2.gz UGYYPCVQICBCIX-NSHDSACASA-N 0 1 304.321 3.633 20 5 DHBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000553507636 1020352703 /nfs/dbraw/zinc/35/27/03/1020352703.db2.gz NEAPSVZREVGHPE-UHFFFAOYSA-N 0 1 320.776 3.979 20 5 DHBDMN CC(C)OCCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000186642750 1020361765 /nfs/dbraw/zinc/36/17/65/1020361765.db2.gz IHUVZTKMHMGKDM-SFHVURJKSA-N 0 1 314.385 3.699 20 5 DHBDMN CCOc1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892674042 1021303319 /nfs/dbraw/zinc/30/33/19/1021303319.db2.gz RTJUYBMTLZRNAX-UHFFFAOYSA-N 0 1 320.776 3.937 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000154616076 1021422622 /nfs/dbraw/zinc/42/26/22/1021422622.db2.gz AUJHEOUAAUGCTL-INIZCTEOSA-N 0 1 304.296 3.650 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850530286 1021585845 /nfs/dbraw/zinc/58/58/45/1021585845.db2.gz YJGBPBFDIPFKEM-JBBXEZCESA-N 0 1 312.369 3.732 20 5 DHBDMN COc1ccc(CN2CC(C)(C)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC001169005747 1022212718 /nfs/dbraw/zinc/21/27/18/1022212718.db2.gz VSSLYCJJUJSBLC-UHFFFAOYSA-N 0 1 306.406 3.862 20 5 DHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416294619 1022241517 /nfs/dbraw/zinc/24/15/17/1022241517.db2.gz SAWXAXSXIUQYIV-HUUCEWRRSA-N 0 1 320.389 3.587 20 5 DHBDMN C[C@H](CNc1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000139414585 1022726971 /nfs/dbraw/zinc/72/69/71/1022726971.db2.gz YVLPUZNUNLBNFP-GFCCVEGCSA-N 0 1 317.414 3.515 20 5 DHBDMN COc1ccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000728775378 1022743313 /nfs/dbraw/zinc/74/33/13/1022743313.db2.gz FSUYSCOGSOTKHR-MRVPVSSYSA-N 0 1 324.720 3.503 20 5 DHBDMN CSC[C@@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767907959 1022840467 /nfs/dbraw/zinc/84/04/67/1022840467.db2.gz YISCMCCBENRBCI-LBPRGKRZSA-N 0 1 300.811 3.576 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]1Cc1ccccc1 ZINC000538722832 1033147575 /nfs/dbraw/zinc/14/75/75/1033147575.db2.gz UBFFJJVNUYELNL-OPUMOTSWSA-N 0 1 308.381 3.925 20 5 DHBDMN Cc1ccc(C)c(C[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339126220 1024569595 /nfs/dbraw/zinc/56/95/95/1024569595.db2.gz UHOLXNGFFGWITQ-UHFFFAOYSA-N 0 1 300.358 3.549 20 5 DHBDMN Cc1ccc(C)c(C[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339126220 1024569603 /nfs/dbraw/zinc/56/96/03/1024569603.db2.gz UHOLXNGFFGWITQ-UHFFFAOYSA-N 0 1 300.358 3.549 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1ccc(F)cc1 ZINC000103483368 1024693221 /nfs/dbraw/zinc/69/32/21/1024693221.db2.gz RIVZBMHTJRRMBG-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN C[C@H](c1ccccc1F)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349913508 1024768020 /nfs/dbraw/zinc/76/80/20/1024768020.db2.gz LGRIFNBBYDSBCF-LLVKDONJSA-N 0 1 304.321 3.633 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000349987763 1024779590 /nfs/dbraw/zinc/77/95/90/1024779590.db2.gz ABHNIOGBUUYKAV-MRXNPFEDSA-N 0 1 312.369 3.508 20 5 DHBDMN CN(Cc1ccc(Cl)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350055538 1024786344 /nfs/dbraw/zinc/78/63/44/1024786344.db2.gz SYLCUEKEVUMVCA-UHFFFAOYSA-N 0 1 306.749 3.586 20 5 DHBDMN CC(C)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865936 1024812142 /nfs/dbraw/zinc/81/21/42/1024812142.db2.gz DLJVZRQJPTZDOZ-CQSZACIVSA-N 0 1 307.350 3.514 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC(OC3CCCC3)CC2)c1 ZINC000121111186 1025072657 /nfs/dbraw/zinc/07/26/57/1025072657.db2.gz FIWFPBOHLKDFLC-UHFFFAOYSA-N 0 1 304.390 3.518 20 5 DHBDMN C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886014618 1025439048 /nfs/dbraw/zinc/43/90/48/1025439048.db2.gz LUOLCDDZUXDLHV-LBPRGKRZSA-N 0 1 319.792 3.706 20 5 DHBDMN C[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000886104424 1025506396 /nfs/dbraw/zinc/50/63/96/1025506396.db2.gz BQTYVEIIOLCVPV-CYBMUJFWSA-N 0 1 311.385 3.719 20 5 DHBDMN CC(C)COC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000054324829 1025519550 /nfs/dbraw/zinc/51/95/50/1025519550.db2.gz MHBQOKQLJIPTPW-AWEZNQCLSA-N 0 1 306.406 3.793 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCc3c2cccc3F)cc1F ZINC000886923096 1025979659 /nfs/dbraw/zinc/97/96/59/1025979659.db2.gz LLKZWANKPWMGNU-HNNXBMFYSA-N 0 1 304.296 3.650 20 5 DHBDMN COC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667907 1026060944 /nfs/dbraw/zinc/06/09/44/1026060944.db2.gz HCDLSAYRHOIMIY-WMLDXEAASA-N 0 1 314.385 3.942 20 5 DHBDMN COC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668038 1026061667 /nfs/dbraw/zinc/06/16/67/1026061667.db2.gz RTAOXVRCMQJLPI-RHSMWYFYSA-N 0 1 314.385 3.942 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@]2(CCCOC2)C1 ZINC000747532692 1026415989 /nfs/dbraw/zinc/41/59/89/1026415989.db2.gz QTJYHOUGVLPSFB-INIZCTEOSA-N 0 1 324.808 3.641 20 5 DHBDMN CC(C)(C)OCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476706 1027017131 /nfs/dbraw/zinc/01/71/31/1027017131.db2.gz PWDCRDPVCTUXRV-UHFFFAOYSA-N 0 1 321.204 3.806 20 5 DHBDMN C[C@@H]1c2ccsc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000573789301 1027329261 /nfs/dbraw/zinc/32/92/61/1027329261.db2.gz XGYBHJNHWVKIJR-GFCCVEGCSA-N 0 1 318.398 3.654 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](Cc2nccs2)C1 ZINC000932199367 1027410218 /nfs/dbraw/zinc/41/02/18/1027410218.db2.gz XIFSZSDLQLIMDT-ZDUSSCGKSA-N 0 1 317.414 3.506 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000362958717 1027468555 /nfs/dbraw/zinc/46/85/55/1027468555.db2.gz RUTTUTJQWSOZNS-WDEREUQCSA-N 0 1 303.366 3.708 20 5 DHBDMN Cc1ccc2c(c1)[C@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419504 1028037705 /nfs/dbraw/zinc/03/77/05/1028037705.db2.gz XTEAGYXWDLUHSE-HZPDHXFCSA-N 0 1 310.353 3.614 20 5 DHBDMN COc1cccc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])c1 ZINC000009902481 1028524065 /nfs/dbraw/zinc/52/40/65/1028524065.db2.gz YEZXUCPFOIDZIB-QGZVFWFLSA-N 0 1 312.369 3.941 20 5 DHBDMN C[C@@H](N[C@@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582050 1028554010 /nfs/dbraw/zinc/55/40/10/1028554010.db2.gz WPIHUBGUJXUEHD-QMTHXVAHSA-N 0 1 315.398 3.675 20 5 DHBDMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462326 1028682961 /nfs/dbraw/zinc/68/29/61/1028682961.db2.gz SJRMCMZTDZXNSP-CMPLNLGQSA-N 0 1 302.296 3.758 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCc2c1cccc2O ZINC000567061510 1028829036 /nfs/dbraw/zinc/82/90/36/1028829036.db2.gz YQUIUIPZWKCHHF-HOTGVXAUSA-N 0 1 310.353 3.565 20 5 DHBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1c1cccc(F)c1 ZINC000411131477 1029044017 /nfs/dbraw/zinc/04/40/17/1029044017.db2.gz JPZVTHQCKFDERB-RDJZCZTQSA-N 0 1 300.333 3.722 20 5 DHBDMN Cc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000530729649 1029990782 /nfs/dbraw/zinc/99/07/82/1029990782.db2.gz VZOWOXSAHITKSE-UHFFFAOYSA-N 0 1 300.333 3.821 20 5 DHBDMN CC(C)c1ccc(CNCc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC000865721805 1029990745 /nfs/dbraw/zinc/99/07/45/1029990745.db2.gz GOLSLCZZIAFMIK-UHFFFAOYSA-N 0 1 303.337 3.542 20 5 DHBDMN Cc1c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000296664754 1030524234 /nfs/dbraw/zinc/52/42/34/1030524234.db2.gz FWGYMJTVANAJNK-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccccc2F)cc1[N+](=O)[O-] ZINC000291683370 1030596738 /nfs/dbraw/zinc/59/67/38/1030596738.db2.gz HXOHTXFJVOWWPW-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN Cc1c(CN2C[C@@H](C)C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824928 1030638435 /nfs/dbraw/zinc/63/84/35/1030638435.db2.gz NXZZQYULPRKJTD-SCLBCKFNSA-N 0 1 311.385 3.881 20 5 DHBDMN C[C@H](N[C@@H](C)c1cc(O)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926492824 1030764904 /nfs/dbraw/zinc/76/49/04/1030764904.db2.gz GGBNCSHERADIMD-QWRGUYRKSA-N 0 1 304.321 3.851 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000926796444 1030932533 /nfs/dbraw/zinc/93/25/33/1030932533.db2.gz NZYBKGUHIZRCBR-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN Cc1cccc([C@@H]2CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000559150378 1031139788 /nfs/dbraw/zinc/13/97/88/1031139788.db2.gz VDILGIBLAQXZLT-OAHLLOKOSA-N 0 1 312.369 3.598 20 5 DHBDMN CO[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023439 1031407886 /nfs/dbraw/zinc/40/78/86/1031407886.db2.gz HKCZWCBYOZFUFE-LRDDRELGSA-N 0 1 318.348 3.772 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(F)(F)F ZINC000872043462 1031430311 /nfs/dbraw/zinc/43/03/11/1031430311.db2.gz YKTIBEVZZPXZAX-QMMMGPOBSA-N 0 1 308.325 3.920 20 5 DHBDMN C[C@H](NC[C@@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072643 1031469331 /nfs/dbraw/zinc/46/93/31/1031469331.db2.gz HZSWWWZVYZEFCI-NWDGAFQWSA-N 0 1 316.332 3.561 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSCC[C@@H]1C ZINC000429773947 1031490977 /nfs/dbraw/zinc/49/09/77/1031490977.db2.gz RRZQZRVATRCTJN-ZDUSSCGKSA-N 0 1 324.446 3.709 20 5 DHBDMN Cc1nn(CN2CCCC[C@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000760408147 1031707906 /nfs/dbraw/zinc/70/79/06/1031707906.db2.gz MZRWLYOIVPPTEI-HNNXBMFYSA-N 0 1 308.426 3.656 20 5 DHBDMN CSc1cc(CNCc2c(C)ccc([N+](=O)[O-])c2C)ccn1 ZINC000873100292 1031710482 /nfs/dbraw/zinc/71/04/82/1031710482.db2.gz NUXIKMCHERPDDF-UHFFFAOYSA-N 0 1 317.414 3.618 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000873184374 1031745369 /nfs/dbraw/zinc/74/53/69/1031745369.db2.gz NZJKHECJPQQNQA-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)o1 ZINC000846111252 1031863864 /nfs/dbraw/zinc/86/38/64/1031863864.db2.gz KUDGEMWBWVSORP-BETUJISGSA-N 0 1 320.295 3.552 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccncc2)C2CC2)cc1Cl ZINC000898321886 1032019243 /nfs/dbraw/zinc/01/92/43/1032019243.db2.gz DRSVZJCQTOSVKH-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN CCCC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777955694 1032038194 /nfs/dbraw/zinc/03/81/94/1032038194.db2.gz XQOGYGJKHUYIKI-UHFFFAOYSA-N 0 1 314.389 3.680 20 5 DHBDMN CC(C)n1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410389 1033508260 /nfs/dbraw/zinc/50/82/60/1033508260.db2.gz ZJVYZFXOIMDEBK-CHWSQXEVSA-N 0 1 302.378 3.784 20 5 DHBDMN C[C@H]([N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000877954162 1033527734 /nfs/dbraw/zinc/52/77/34/1033527734.db2.gz VFCHUKRKGSCFDK-NSHDSACASA-N 0 1 318.377 3.511 20 5 DHBDMN C[C@H](N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000877954162 1033527740 /nfs/dbraw/zinc/52/77/40/1033527740.db2.gz VFCHUKRKGSCFDK-NSHDSACASA-N 0 1 318.377 3.511 20 5 DHBDMN CC[C@H](C)C[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878164310 1033602756 /nfs/dbraw/zinc/60/27/56/1033602756.db2.gz IWOXXPRGTPZVFK-LBPRGKRZSA-N 0 1 318.377 3.513 20 5 DHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)ccc(F)c1F ZINC001173213836 1033614209 /nfs/dbraw/zinc/61/42/09/1033614209.db2.gz LBTXDNCXPBTWGK-SNVBAGLBSA-N 0 1 324.302 3.733 20 5 DHBDMN Cc1c(F)nccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000862220668 1033783889 /nfs/dbraw/zinc/78/38/89/1033783889.db2.gz XPFDMLWILNGKHD-UHFFFAOYSA-N 0 1 317.364 3.848 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccnc(F)c2C)cc1[N+](=O)[O-] ZINC000862284473 1033810650 /nfs/dbraw/zinc/81/06/50/1033810650.db2.gz ZORPQGRNNORMTF-LBPRGKRZSA-N 0 1 303.337 3.597 20 5 DHBDMN COCc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000178654418 1034254249 /nfs/dbraw/zinc/25/42/49/1034254249.db2.gz PYJQSDWEVHMGHH-LBPRGKRZSA-N 0 1 318.348 3.731 20 5 DHBDMN CCOc1cccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339068633 1034346660 /nfs/dbraw/zinc/34/66/60/1034346660.db2.gz LNZCGBHRJDKGRP-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000554846524 1034364207 /nfs/dbraw/zinc/36/42/07/1034364207.db2.gz AAXHTLMPONDMNS-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN CC(C)(C)c1csc(CNCCc2ccccc2[N+](=O)[O-])n1 ZINC000865477610 1034666564 /nfs/dbraw/zinc/66/65/64/1034666564.db2.gz XFIGCPJHSIZVGO-UHFFFAOYSA-N 0 1 319.430 3.681 20 5 DHBDMN Cc1ccc(CN2CC(Cc3cccs3)C2)cc1[N+](=O)[O-] ZINC000600215394 1034819200 /nfs/dbraw/zinc/81/92/00/1034819200.db2.gz JFPPTWQUFDXECS-UHFFFAOYSA-N 0 1 302.399 3.639 20 5 DHBDMN Cc1c(CN2Cc3ccccc3C3(CC3)C2)cccc1[N+](=O)[O-] ZINC000481734433 1034957355 /nfs/dbraw/zinc/95/73/55/1034957355.db2.gz KMOQORJIHUIXIT-UHFFFAOYSA-N 0 1 308.381 3.951 20 5 DHBDMN Cc1ccc(CN(Cc2ccccn2)CC(C)C)cc1[N+](=O)[O-] ZINC001176346919 1035245964 /nfs/dbraw/zinc/24/59/64/1035245964.db2.gz UFKVIBJYPMEXLH-UHFFFAOYSA-N 0 1 313.401 3.956 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CCO)c1ccccc1 ZINC000161023070 1035283192 /nfs/dbraw/zinc/28/31/92/1035283192.db2.gz GNAFQHCXBGEJTQ-KBXCAEBGSA-N 0 1 314.385 3.678 20 5 DHBDMN C[C@]1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCO1 ZINC001179913628 1035547510 /nfs/dbraw/zinc/54/75/10/1035547510.db2.gz AUXOLNJZAHJWEJ-QGZVFWFLSA-N 0 1 304.390 3.518 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)Cc1ccc(F)cc1 ZINC001180566511 1035723075 /nfs/dbraw/zinc/72/30/75/1035723075.db2.gz PAQXSCDVHPZPEJ-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OCC2CC2)C1 ZINC000494705577 1035770352 /nfs/dbraw/zinc/77/03/52/1035770352.db2.gz XKWCTTWERMYXRU-DYVFJYSZSA-N 0 1 304.390 3.547 20 5 DHBDMN C[C@@H]1CC[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907257 1035785337 /nfs/dbraw/zinc/78/53/37/1035785337.db2.gz WKVKEDDWHOLWGN-OLZOCXBDSA-N 0 1 315.373 3.870 20 5 DHBDMN CCCCCC[C@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000914465962 1035891550 /nfs/dbraw/zinc/89/15/50/1035891550.db2.gz WLXGJTJFNPXNLR-NSHDSACASA-N 0 1 318.377 3.560 20 5 DHBDMN COc1cc(CN(C)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000485719869 1035901737 /nfs/dbraw/zinc/90/17/37/1035901737.db2.gz WPLMDJMZUFFEAI-CYBMUJFWSA-N 0 1 300.358 3.796 20 5 DHBDMN CO[C@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384231 1035916406 /nfs/dbraw/zinc/91/64/06/1035916406.db2.gz JTECZFDDJRODNC-CABCVRRESA-N 0 1 324.808 3.638 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(Cc1cccc3cccnc31)C2 ZINC000153281027 1036199721 /nfs/dbraw/zinc/19/97/21/1036199721.db2.gz DQUQYPAIYPSAEK-UHFFFAOYSA-N 0 1 319.364 3.701 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccccc1O ZINC000541387335 1036316227 /nfs/dbraw/zinc/31/62/27/1036316227.db2.gz MBWYGERQTAMTPU-ZDUSSCGKSA-N 0 1 300.358 3.536 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000076342189 1036480350 /nfs/dbraw/zinc/48/03/50/1036480350.db2.gz CLTQWTWIYFBSLR-UHFFFAOYSA-N 0 1 306.387 3.605 20 5 DHBDMN Cc1ccc(C)c(CN(C)Cn2ncc3cc([N+](=O)[O-])ccc32)c1 ZINC000762069474 1036499204 /nfs/dbraw/zinc/49/92/04/1036499204.db2.gz WQVAKHRYHHXLMC-UHFFFAOYSA-N 0 1 324.384 3.651 20 5 DHBDMN CCN(CCNc1ccc([N+](=O)[O-])c(C)c1)CCC(F)(F)F ZINC000491587777 1036613044 /nfs/dbraw/zinc/61/30/44/1036613044.db2.gz BRXZTTHDLQPEOJ-UHFFFAOYSA-N 0 1 319.327 3.589 20 5 DHBDMN C[C@]12C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252347 1036987185 /nfs/dbraw/zinc/98/71/85/1036987185.db2.gz RFCDBCMXTXJDLL-MAQMMGONSA-N 0 1 304.365 3.602 20 5 DHBDMN O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)c1 ZINC001198705825 1037113915 /nfs/dbraw/zinc/11/39/15/1037113915.db2.gz MLLQPZIWELQRRT-SFHVURJKSA-N 0 1 312.369 3.558 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCO[C@H](c3ccccc3)CC2)c1 ZINC001198705825 1037113922 /nfs/dbraw/zinc/11/39/22/1037113922.db2.gz MLLQPZIWELQRRT-SFHVURJKSA-N 0 1 312.369 3.558 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@@]2(CCCOC2)C1 ZINC000493108261 1037178966 /nfs/dbraw/zinc/17/89/66/1037178966.db2.gz VDSKHGMNOSNCCT-MRXNPFEDSA-N 0 1 324.808 3.641 20 5 DHBDMN Cc1cc2[nH]ncc2cc1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001186095280 1037313799 /nfs/dbraw/zinc/31/37/99/1037313799.db2.gz NJPYHVCEFXZINS-UHFFFAOYSA-N 0 1 304.256 3.801 20 5 DHBDMN CN(CCOc1ccccc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511261 1037335800 /nfs/dbraw/zinc/33/58/00/1037335800.db2.gz PBGIRQYEAQLWFW-UHFFFAOYSA-N 0 1 320.776 3.759 20 5 DHBDMN C[C@H](CF)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000588930917 1038408800 /nfs/dbraw/zinc/40/88/00/1038408800.db2.gz ZOSYHGGWUGJWOR-CYBMUJFWSA-N 0 1 317.364 3.810 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000590158457 1038592993 /nfs/dbraw/zinc/59/29/93/1038592993.db2.gz GUUIQCLRVYPLBH-AWEZNQCLSA-N 0 1 314.307 3.988 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@H]2C2CC2)c1 ZINC000590158457 1038592999 /nfs/dbraw/zinc/59/29/99/1038592999.db2.gz GUUIQCLRVYPLBH-AWEZNQCLSA-N 0 1 314.307 3.988 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCC[C@@H]3F)o2)c1 ZINC000590196047 1038604504 /nfs/dbraw/zinc/60/45/04/1038604504.db2.gz KSIGLGYJWPJCPY-LSDHHAIUSA-N 0 1 304.321 3.835 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000590174245 1038606680 /nfs/dbraw/zinc/60/66/80/1038606680.db2.gz BGWUVTHLHUPCPN-YGRLFVJLSA-N 0 1 314.307 3.988 20 5 DHBDMN Cc1ncccc1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599072737 1039027879 /nfs/dbraw/zinc/02/78/79/1039027879.db2.gz GTSNONISHAXWAV-QGZVFWFLSA-N 0 1 311.385 3.810 20 5 DHBDMN CC(C)c1ccc(CN2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695210 1039084211 /nfs/dbraw/zinc/08/42/11/1039084211.db2.gz IKZPEBYIAPLIJI-HNNXBMFYSA-N 0 1 310.344 3.949 20 5 DHBDMN Cc1c(C[N@@H+](C)CCOc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000603836721 1039175176 /nfs/dbraw/zinc/17/51/76/1039175176.db2.gz MSCFJDDIPVKXNM-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN COCc1csc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000594925595 1039929791 /nfs/dbraw/zinc/92/97/91/1039929791.db2.gz OODOQODIHOOLIO-LLVKDONJSA-N 0 1 306.387 3.654 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000595012560 1039974204 /nfs/dbraw/zinc/97/42/04/1039974204.db2.gz DBGGOMYIVOOENB-SNVBAGLBSA-N 0 1 307.300 3.778 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCOC1CCCCC1 ZINC000595016982 1039976316 /nfs/dbraw/zinc/97/63/16/1039976316.db2.gz TYPJHQIZNHEBCZ-CYBMUJFWSA-N 0 1 322.405 3.603 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(F)cc1 ZINC000595006621 1040015847 /nfs/dbraw/zinc/01/58/47/1040015847.db2.gz MDQULXVKGFWWPS-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1sccc1C ZINC000595010537 1040019758 /nfs/dbraw/zinc/01/97/58/1040019758.db2.gz XSMRSHOABUTALF-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595101944 1040066975 /nfs/dbraw/zinc/06/69/75/1040066975.db2.gz GOKISGJXBVJSFT-IYOUNJFTSA-N 0 1 314.385 3.676 20 5 DHBDMN Cc1c([C@@H](C)N[C@@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092815 1040078205 /nfs/dbraw/zinc/07/82/05/1040078205.db2.gz XDSFYBVKFBRZTK-SJKOYZFVSA-N 0 1 312.369 3.947 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000595786547 1040254623 /nfs/dbraw/zinc/25/46/23/1040254623.db2.gz BHMJGLKLXITJGW-PBHICJAKSA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1cc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])s1 ZINC000596054646 1040292409 /nfs/dbraw/zinc/29/24/09/1040292409.db2.gz NSZVOGAPGXVEKN-CYBMUJFWSA-N 0 1 321.402 3.807 20 5 DHBDMN CCSCC[C@H](C)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174032436 1040500987 /nfs/dbraw/zinc/50/09/87/1040500987.db2.gz IOPHLDBOQBQRMF-NSHDSACASA-N 0 1 300.399 3.697 20 5 DHBDMN CCC[C@H](N[C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321546 1040600133 /nfs/dbraw/zinc/60/01/33/1040600133.db2.gz SQGDNHJSIFUPTF-JKSUJKDBSA-N 0 1 314.389 3.757 20 5 DHBDMN CC1(C)CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CCS1 ZINC000228087606 1040641776 /nfs/dbraw/zinc/64/17/76/1040641776.db2.gz UXKIQVKQSYFTST-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000602441527 1041037159 /nfs/dbraw/zinc/03/71/59/1041037159.db2.gz OMLGSKAZLPCIFO-LLVKDONJSA-N 0 1 320.336 3.551 20 5 DHBDMN CCc1ccc(C)nc1NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602711202 1041173604 /nfs/dbraw/zinc/17/36/04/1041173604.db2.gz POANBRMEWCGOEZ-UHFFFAOYSA-N 0 1 312.329 3.614 20 5 DHBDMN Cc1cccc([C@H](NCc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000602805341 1041231645 /nfs/dbraw/zinc/23/16/45/1041231645.db2.gz KIBKRDJHADTVNL-HNNXBMFYSA-N 0 1 316.405 3.514 20 5 DHBDMN CC[C@@H](c1ccccc1)N(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602903825 1041302530 /nfs/dbraw/zinc/30/25/30/1041302530.db2.gz STLLNYYLJYHNHB-INIZCTEOSA-N 0 1 316.405 3.690 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217367 185286884 /nfs/dbraw/zinc/28/68/84/185286884.db2.gz JEAZJYNQSFRPIF-VXGBXAGGSA-N 0 1 303.337 3.849 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1C ZINC000272812461 130066508 /nfs/dbraw/zinc/06/65/08/130066508.db2.gz BYTYZGOKOMUDQD-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1ccc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000363676435 332217293 /nfs/dbraw/zinc/21/72/93/332217293.db2.gz PMUJPSVNOREYFH-UHFFFAOYSA-N 0 1 311.385 3.678 20 5 DHBDMN Cc1ccccc1C(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000580222529 333023912 /nfs/dbraw/zinc/02/39/12/333023912.db2.gz SCLTYWWIUKQKRI-UHFFFAOYSA-N 0 1 324.384 3.804 20 5 DHBDMN COc1ccc(C)cc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000378889942 333060403 /nfs/dbraw/zinc/06/04/03/333060403.db2.gz KPVIRZRNJMZVRK-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CCOc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119702330 333256922 /nfs/dbraw/zinc/25/69/22/333256922.db2.gz UGZLAKLPSLUGIJ-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN COc1cccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283114210 333676823 /nfs/dbraw/zinc/67/68/23/333676823.db2.gz MNWAOUUUWJOXNN-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1nccs1 ZINC000414491694 333996112 /nfs/dbraw/zinc/99/61/12/333996112.db2.gz CWHSZIHTUXNUHL-KGTBHZDVSA-N 0 1 303.387 3.805 20 5 DHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000414615994 334042127 /nfs/dbraw/zinc/04/21/27/334042127.db2.gz HKDUMGPGARODRC-FPAJZGIOSA-N 0 1 316.361 3.584 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000341354608 334440185 /nfs/dbraw/zinc/44/01/85/334440185.db2.gz QBRMTUCWURECAU-AWEZNQCLSA-N 0 1 319.336 3.576 20 5 DHBDMN Cc1ccc2nc(CN[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000344002380 335206772 /nfs/dbraw/zinc/20/67/72/335206772.db2.gz HOXINUGBTGBXFH-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CCC2)C1 ZINC000344217178 335235402 /nfs/dbraw/zinc/23/54/02/335235402.db2.gz MRMGPWNUPSEEKI-UHFFFAOYSA-N 0 1 304.390 3.758 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCC4(CCCC4)CC3)nc2c1 ZINC000444647289 338478486 /nfs/dbraw/zinc/47/84/86/338478486.db2.gz KXBAOKNURMLAFV-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN COc1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676010 335599505 /nfs/dbraw/zinc/59/95/05/335599505.db2.gz BTXTWXDTDPNHOY-STQMWFEESA-N 0 1 315.373 3.719 20 5 DHBDMN CC(C)Cn1ccnc1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000351568091 336045533 /nfs/dbraw/zinc/04/55/33/336045533.db2.gz LGOACPNOCUTZLV-UHFFFAOYSA-N 0 1 308.769 3.713 20 5 DHBDMN CCS[C@H]1CCC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370651 336214726 /nfs/dbraw/zinc/21/47/26/336214726.db2.gz BPAVYRXJFNJGQY-KGLIPLIRSA-N 0 1 316.373 3.637 20 5 DHBDMN COc1ccc(CNCc2ccc3occc3c2)cc1[N+](=O)[O-] ZINC000352772572 336235406 /nfs/dbraw/zinc/23/54/06/336235406.db2.gz QZDGOSTVQDVUGE-UHFFFAOYSA-N 0 1 312.325 3.639 20 5 DHBDMN CC[C@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352777576 336235956 /nfs/dbraw/zinc/23/59/56/336235956.db2.gz HKIJDFJMDITRNR-OAHLLOKOSA-N 0 1 315.373 3.582 20 5 DHBDMN O=[N+]([O-])c1ccsc1NCCCN1CCc2ccccc2C1 ZINC000301979899 336341117 /nfs/dbraw/zinc/34/11/17/336341117.db2.gz GCLGOFBNNNPPCD-UHFFFAOYSA-N 0 1 317.414 3.517 20 5 DHBDMN Cc1cc(N2CCSC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302707334 336365958 /nfs/dbraw/zinc/36/59/58/336365958.db2.gz HEUKVGMXMKSNJA-NSHDSACASA-N 0 1 317.414 3.641 20 5 DHBDMN CC[C@@H](NCc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353631168 336430355 /nfs/dbraw/zinc/43/03/55/336430355.db2.gz PFDIATXILJISCR-MRXNPFEDSA-N 0 1 310.357 3.712 20 5 DHBDMN COc1ccc2oc(CNCc3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000123498765 337048754 /nfs/dbraw/zinc/04/87/54/337048754.db2.gz OPXVTRCLDLMRHW-UHFFFAOYSA-N 0 1 312.325 3.639 20 5 DHBDMN Cc1cccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000582762742 337138216 /nfs/dbraw/zinc/13/82/16/337138216.db2.gz KLDDVSKKUXSHJY-KRWDZBQOSA-N 0 1 311.385 3.810 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cncc(C)c2)cc1[N+](=O)[O-] ZINC000181834962 337184784 /nfs/dbraw/zinc/18/47/84/337184784.db2.gz HLXSNOFQHZSIBR-CYBMUJFWSA-N 0 1 315.373 3.548 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1COCc2ccccc21 ZINC000515221754 337982468 /nfs/dbraw/zinc/98/24/68/337982468.db2.gz OSSQGYPWDXYMMB-ACJLOTCBSA-N 0 1 312.369 3.825 20 5 DHBDMN CCN(CCNc1cccc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000516196148 338006793 /nfs/dbraw/zinc/00/67/93/338006793.db2.gz OPELYKAQGAFCRD-UHFFFAOYSA-N 0 1 319.327 3.589 20 5 DHBDMN CN(C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000432311845 338152664 /nfs/dbraw/zinc/15/26/64/338152664.db2.gz HKOACSCOLDLFAP-LBPRGKRZSA-N 0 1 309.753 3.556 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000449424558 338623169 /nfs/dbraw/zinc/62/31/69/338623169.db2.gz JRFWFFXXJBDHJH-CXAGYDPISA-N 0 1 312.369 3.905 20 5 DHBDMN Cc1cc(N2CCC(CF)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000450691878 338699560 /nfs/dbraw/zinc/69/95/60/338699560.db2.gz ZFRGEVXGQXONDX-UHFFFAOYSA-N 0 1 303.337 3.637 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@H]2CS3)o1 ZINC000459774691 339047817 /nfs/dbraw/zinc/04/78/17/339047817.db2.gz WJPKWXIYQPAXID-AAEUAGOBSA-N 0 1 316.382 3.545 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000463190563 339108639 /nfs/dbraw/zinc/10/86/39/339108639.db2.gz FKXZXJHDGVBWRJ-YJBOKZPZSA-N 0 1 324.380 3.593 20 5 DHBDMN COc1cc(CN2CCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464104193 339134534 /nfs/dbraw/zinc/13/45/34/339134534.db2.gz KOWTZWJYLFVMJO-OAHLLOKOSA-N 0 1 310.369 3.753 20 5 DHBDMN COc1cc(CN2CC[C@@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678730 339148676 /nfs/dbraw/zinc/14/86/76/339148676.db2.gz GQZNBJDTYJCKIT-LBPRGKRZSA-N 0 1 310.369 3.611 20 5 DHBDMN Cc1c(CN2CCCC[C@@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000472341817 339370289 /nfs/dbraw/zinc/37/02/89/339370289.db2.gz SCEIHLHKVDZLRC-GOSISDBHSA-N 0 1 313.401 3.969 20 5 DHBDMN COc1cc(CNC2(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000492974860 339913890 /nfs/dbraw/zinc/91/38/90/339913890.db2.gz ZMZPJCBKWXUZOP-UHFFFAOYSA-N 0 1 316.332 3.521 20 5 DHBDMN CN(Cc1ccccc1[N+](=O)[O-])c1ccnc2cc(F)ccc21 ZINC000500457931 340059544 /nfs/dbraw/zinc/05/95/44/340059544.db2.gz OSCOALSZGNQXGD-UHFFFAOYSA-N 0 1 311.316 3.919 20 5 DHBDMN CCc1ccc(CC)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000506719141 340199980 /nfs/dbraw/zinc/19/99/80/340199980.db2.gz PLSDHLVDIPMNRB-UHFFFAOYSA-N 0 1 314.341 3.678 20 5 DHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000972 340205207 /nfs/dbraw/zinc/20/52/07/340205207.db2.gz GTVOXVNNVQAJCC-RHSMWYFYSA-N 0 1 311.385 3.842 20 5 DHBDMN COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000086585503 340253946 /nfs/dbraw/zinc/25/39/46/340253946.db2.gz MQFZSEIRKFPTSY-UHFFFAOYSA-N 0 1 306.749 3.547 20 5 DHBDMN CCOc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000543628352 341051881 /nfs/dbraw/zinc/05/18/81/341051881.db2.gz PZSWCDFGRPOWTO-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN COc1ccsc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000546582599 341173443 /nfs/dbraw/zinc/17/34/43/341173443.db2.gz MCLPEDJZHKEJAM-UHFFFAOYSA-N 0 1 306.387 3.690 20 5 DHBDMN C[C@H](C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000549405332 341293496 /nfs/dbraw/zinc/29/34/96/341293496.db2.gz LDDUCIYESDLLRT-CYBMUJFWSA-N 0 1 300.358 3.536 20 5 DHBDMN C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845232 341304824 /nfs/dbraw/zinc/30/48/24/341304824.db2.gz HXOYPVJSOJSFLK-UKRRQHHQSA-N 0 1 312.369 3.678 20 5 DHBDMN CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCCC1 ZINC000551827980 341353100 /nfs/dbraw/zinc/35/31/00/341353100.db2.gz YPDYPHBQJKXUSG-UHFFFAOYSA-N 0 1 314.332 3.961 20 5 DHBDMN CCn1cc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236636 523476051 /nfs/dbraw/zinc/47/60/51/523476051.db2.gz JLSKSOIVOCHPIX-OLZOCXBDSA-N 0 1 302.378 3.531 20 5 DHBDMN C[C@H](NCc1cccc2c1NCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000894867994 1013566970 /nfs/dbraw/zinc/56/69/70/1013566970.db2.gz OYCFOIWOSUBDFT-ZDUSSCGKSA-N 0 1 311.385 3.804 20 5 DHBDMN Cc1cc(=O)[nH]c2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc12 ZINC001210397722 1013833808 /nfs/dbraw/zinc/83/38/08/1013833808.db2.gz FSYWWJHWWDULTD-UHFFFAOYSA-N 0 1 311.297 3.606 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(C3)CCCCC4)nc2c1 ZINC000083213022 1014001171 /nfs/dbraw/zinc/00/11/71/1014001171.db2.gz IUMRWTDUTJIFPN-UHFFFAOYSA-N 0 1 315.373 3.892 20 5 DHBDMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001167405174 1014149458 /nfs/dbraw/zinc/14/94/58/1014149458.db2.gz ANCVYEHEHXVRRA-CQSZACIVSA-N 0 1 306.406 3.949 20 5 DHBDMN CCc1ccc([C@@H](CO)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844554 1014278931 /nfs/dbraw/zinc/27/89/31/1014278931.db2.gz UPMMGUIGBBEARD-SCLBCKFNSA-N 0 1 314.385 3.541 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000580802735 1014356546 /nfs/dbraw/zinc/35/65/46/1014356546.db2.gz OYXZRLTZQHDGRC-IAOVAPTHSA-N 0 1 318.417 3.854 20 5 DHBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001596355793 983822158 /nfs/dbraw/zinc/82/21/58/983822158.db2.gz DYSZNWSAGZGGHX-SWLSCSKDSA-N 0 1 320.389 3.694 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000051129848 1015101962 /nfs/dbraw/zinc/10/19/62/1015101962.db2.gz CCYQQAIWQMXHGV-GFCCVEGCSA-N 0 1 318.348 3.936 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](c2nccs2)C1 ZINC000895583625 1015210403 /nfs/dbraw/zinc/21/04/03/1015210403.db2.gz MISGIMWXPGNWIP-KQIUPUNMSA-N 0 1 315.398 3.554 20 5 DHBDMN C[C@@H](c1ccccc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580878 1015629531 /nfs/dbraw/zinc/62/95/31/1015629531.db2.gz SGITVHRMFHEWHL-LBPRGKRZSA-N 0 1 311.341 3.929 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000277335874 1016219365 /nfs/dbraw/zinc/21/93/65/1016219365.db2.gz UTEJAFNKVODVBG-SDDRHHMPSA-N 0 1 317.393 3.638 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000071959573 1016285040 /nfs/dbraw/zinc/28/50/40/1016285040.db2.gz GUYVAUKZPOQUNI-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN C[C@H](NCc1ccc2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000277609887 1016772405 /nfs/dbraw/zinc/77/24/05/1016772405.db2.gz NGEDVGZRAXYDTN-ZDUSSCGKSA-N 0 1 311.385 3.719 20 5 DHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000339113727 1016814026 /nfs/dbraw/zinc/81/40/26/1016814026.db2.gz LDZXIVYXAHCAHX-LLVKDONJSA-N 0 1 312.325 3.897 20 5 DHBDMN Cc1ccc(CN2CCSC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC001171344447 1032500098 /nfs/dbraw/zinc/50/00/98/1032500098.db2.gz OOOCOUYWRGNIAW-MRXNPFEDSA-N 0 1 306.431 3.621 20 5 DHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCc2ccccc21 ZINC000083138845 1017579484 /nfs/dbraw/zinc/57/94/84/1017579484.db2.gz LNDNLFSARZKOOU-MRXNPFEDSA-N 0 1 323.352 3.855 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000079926961 1018224770 /nfs/dbraw/zinc/22/47/70/1018224770.db2.gz FATVLRXWBXISBI-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN CCC[C@H](NCc1cn(C)nc1CC)c1cccc([N+](=O)[O-])c1 ZINC000091742477 1018600132 /nfs/dbraw/zinc/60/01/32/1018600132.db2.gz WLUWBIGGHAGGPE-KRWDZBQOSA-N 0 1 316.405 3.522 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278375531 1018630777 /nfs/dbraw/zinc/63/07/77/1018630777.db2.gz LDGDFWLQDGPNFT-NSHDSACASA-N 0 1 302.296 3.678 20 5 DHBDMN CCC[C@H](CNCc1cc([N+](=O)[O-])ccc1Cl)OCC ZINC000705349805 1018648791 /nfs/dbraw/zinc/64/87/91/1018648791.db2.gz GVAYZLLCGPHEOV-CYBMUJFWSA-N 0 1 300.786 3.543 20 5 DHBDMN COc1cc(C)ccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573020262 1018803776 /nfs/dbraw/zinc/80/37/76/1018803776.db2.gz FSMAUBAYWYZLDW-MRXNPFEDSA-N 0 1 312.369 3.689 20 5 DHBDMN CC[C@@H](C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171950332 1018853602 /nfs/dbraw/zinc/85/36/02/1018853602.db2.gz XCSHBYUYNSVHJO-NEPJUHHUSA-N 0 1 318.377 3.684 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278613668 1018926324 /nfs/dbraw/zinc/92/63/24/1018926324.db2.gz FQAZXPQOBRJMFV-GHMZBOCLSA-N 0 1 302.296 3.930 20 5 DHBDMN O=[N+]([O-])c1ccc(OC2CCN(Cc3ccsc3)CC2)cc1 ZINC000130744230 1019068945 /nfs/dbraw/zinc/06/89/45/1019068945.db2.gz LTXGAXXPAVFWHI-UHFFFAOYSA-N 0 1 318.398 3.700 20 5 DHBDMN COc1cc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527692 1019197947 /nfs/dbraw/zinc/19/79/47/1019197947.db2.gz XZJZEQYYFJXMIF-CHWSQXEVSA-N 0 1 315.373 3.719 20 5 DHBDMN C[C@@H]1c2ccc(F)cc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611273708 1019431114 /nfs/dbraw/zinc/43/11/14/1019431114.db2.gz WOIYVPMLAZTCQQ-LLVKDONJSA-N 0 1 316.332 3.559 20 5 DHBDMN C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092471206 1019511791 /nfs/dbraw/zinc/51/17/91/1019511791.db2.gz VJGGOIKQOXETQD-LLVKDONJSA-N 0 1 303.387 3.560 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000922143245 1019515265 /nfs/dbraw/zinc/51/52/65/1019515265.db2.gz ITUVUDZXJIJOIW-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN C[C@@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555206 1019517858 /nfs/dbraw/zinc/51/78/58/1019517858.db2.gz RHLRQKLAKOXVGL-ZYHUDNBSSA-N 0 1 302.296 3.758 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccc(O)c1 ZINC000530342081 1019906124 /nfs/dbraw/zinc/90/61/24/1019906124.db2.gz VVYSVSNWXRWSCI-NTEUORMPSA-N 0 1 312.369 3.836 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc3c[nH]nc3c2)C2CC2)c1 ZINC000154278624 1020092404 /nfs/dbraw/zinc/09/24/04/1020092404.db2.gz NFXMGQPWFTZMRM-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN CCCn1cc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000154464539 1020112207 /nfs/dbraw/zinc/11/22/07/1020112207.db2.gz PDZOPBMDCJECQN-UHFFFAOYSA-N 0 1 316.405 3.612 20 5 DHBDMN C[C@H](C1CC1)N(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235397752 1020311004 /nfs/dbraw/zinc/31/10/04/1020311004.db2.gz CXROJOWOUPKTRR-SECBINFHSA-N 0 1 313.195 3.588 20 5 DHBDMN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000414153293 1020944959 /nfs/dbraw/zinc/94/49/59/1020944959.db2.gz ZCHUSLNYMGWJSG-APPDUMDISA-N 0 1 315.348 3.857 20 5 DHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cnc(C)o1 ZINC000414180883 1020970673 /nfs/dbraw/zinc/97/06/73/1020970673.db2.gz LYTGOYQZDCUQMV-LBPRGKRZSA-N 0 1 321.402 3.552 20 5 DHBDMN Cc1cc(NC2C[C@@H](C)O[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181537643 1021228333 /nfs/dbraw/zinc/22/83/33/1021228333.db2.gz XGASXZDPQYUVFC-VXGBXAGGSA-N 0 1 315.373 3.819 20 5 DHBDMN COc1ccc2nc(S/C=C/c3ccc([N+](=O)[O-])o3)[nH]c2c1 ZINC000106913577 1021286237 /nfs/dbraw/zinc/28/62/37/1021286237.db2.gz CWPHBVNMLGHPKM-VOTSOKGWSA-N 0 1 317.326 3.836 20 5 DHBDMN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000926798226 1021293867 /nfs/dbraw/zinc/29/38/67/1021293867.db2.gz XSOWLNRVGCFMLJ-CQSZACIVSA-N 0 1 315.373 3.548 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(C)c(F)c1 ZINC000850422688 1021524896 /nfs/dbraw/zinc/52/48/96/1021524896.db2.gz ZXCDAHXUHXHLLL-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000182456194 1021661534 /nfs/dbraw/zinc/66/15/34/1021661534.db2.gz ATFUEDPQMZGLPX-AWEZNQCLSA-N 0 1 303.362 3.749 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000103482797 1022092191 /nfs/dbraw/zinc/09/21/91/1022092191.db2.gz IKUZDJGSPWYIFY-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN COc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1C ZINC000930554665 1022145353 /nfs/dbraw/zinc/14/53/53/1022145353.db2.gz MVJCONYPFVUARH-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN CC1=C(c2ccco2)C[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338953517 1022185534 /nfs/dbraw/zinc/18/55/34/1022185534.db2.gz DMDKOEZAQBJFPM-UHFFFAOYSA-N 0 1 314.341 3.573 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2cnccc2C)ccc1[N+](=O)[O-] ZINC000617219551 1022900887 /nfs/dbraw/zinc/90/08/87/1022900887.db2.gz UKHLFHLZZJSTTJ-ZDUSSCGKSA-N 0 1 315.373 3.548 20 5 DHBDMN O=C(O[C@@H](C1CCCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000770221235 1023285851 /nfs/dbraw/zinc/28/58/51/1023285851.db2.gz ILOPSSWLTWRRBP-NSHDSACASA-N 0 1 320.267 3.591 20 5 DHBDMN Cc1ccc(CN[C@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000106478128 1024536714 /nfs/dbraw/zinc/53/67/14/1024536714.db2.gz JLJSSAQEBYTFLK-INIZCTEOSA-N 0 1 300.333 3.819 20 5 DHBDMN CCn1ncnc1CNCc1c2ccccc2cc2ccccc21 ZINC000793347610 1025017657 /nfs/dbraw/zinc/01/76/57/1025017657.db2.gz ZKIWHUIJMDQQAQ-UHFFFAOYSA-N 0 1 316.408 3.894 20 5 DHBDMN CC(C)[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000051121179 1025127831 /nfs/dbraw/zinc/12/78/31/1025127831.db2.gz RSWQEKQRMBTYMY-GOSISDBHSA-N 0 1 324.384 3.958 20 5 DHBDMN CSCC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134849645 1025135399 /nfs/dbraw/zinc/13/53/99/1025135399.db2.gz AHWWEDNKQFXVHC-JTQLQIEISA-N 0 1 302.827 3.822 20 5 DHBDMN Cc1cc(N2CCC(c3nc(C)c(C)[nH]3)CC2)c([N+](=O)[O-])s1 ZINC000884705757 1025231490 /nfs/dbraw/zinc/23/14/90/1025231490.db2.gz GXVGUFAMQZGXEG-UHFFFAOYSA-N 0 1 320.418 3.689 20 5 DHBDMN Cc1nccc(N2CCc3ccc([N+](=O)[O-])cc3C2)c1Cl ZINC000354160129 1025370590 /nfs/dbraw/zinc/37/05/90/1025370590.db2.gz BGRGRXVFFBZGCF-UHFFFAOYSA-N 0 1 303.749 3.514 20 5 DHBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000886020645 1025441037 /nfs/dbraw/zinc/44/10/37/1025441037.db2.gz FIIZWAPMVLHYGW-PBHICJAKSA-N 0 1 311.385 3.615 20 5 DHBDMN COC1(C)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000354807888 1025512539 /nfs/dbraw/zinc/51/25/39/1025512539.db2.gz SSICZBDVXAJCSK-UHFFFAOYSA-N 0 1 306.406 3.719 20 5 DHBDMN CC1(C2CC2)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000573529203 1025730331 /nfs/dbraw/zinc/73/03/31/1025730331.db2.gz QLJRHYMBWMXTME-UHFFFAOYSA-N 0 1 315.373 3.748 20 5 DHBDMN COCC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000355772884 1025836517 /nfs/dbraw/zinc/83/65/17/1025836517.db2.gz ZXDAPYMMIXLJBK-QZDDGCDVSA-N 0 1 316.357 3.568 20 5 DHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1N(C)C ZINC000089513335 1026052516 /nfs/dbraw/zinc/05/25/16/1026052516.db2.gz OASCJYDBJGUKCF-LBPRGKRZSA-N 0 1 317.364 3.651 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1N(C)C ZINC000089513336 1026054948 /nfs/dbraw/zinc/05/49/48/1026054948.db2.gz OASCJYDBJGUKCF-GFCCVEGCSA-N 0 1 317.364 3.651 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1c1ccncc1 ZINC000289649500 1026114647 /nfs/dbraw/zinc/11/46/47/1026114647.db2.gz CAXXHQPQAZVGGY-ZNNBYXKUSA-N 0 1 309.369 3.840 20 5 DHBDMN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCC2 ZINC000357062499 1026299720 /nfs/dbraw/zinc/29/97/20/1026299720.db2.gz FKAZMSVEEYKVQA-LBPRGKRZSA-N 0 1 315.373 3.748 20 5 DHBDMN C[C@@H]1OCC[C@]1(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987734 1026656808 /nfs/dbraw/zinc/65/68/08/1026656808.db2.gz KFDDYWPVMFZCKZ-SDBXPKJASA-N 0 1 319.188 3.559 20 5 DHBDMN CC1(C2CC2)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000810064409 1026676934 /nfs/dbraw/zinc/67/69/34/1026676934.db2.gz FXVMLYVIRUSYBP-UHFFFAOYSA-N 0 1 319.361 3.515 20 5 DHBDMN CSC1(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000811454470 1027003586 /nfs/dbraw/zinc/00/35/86/1027003586.db2.gz LRWHKGNTFJDWNP-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ncco2)CC1 ZINC000931449184 1027128199 /nfs/dbraw/zinc/12/81/99/1027128199.db2.gz SMDMCQGUJZXOLZ-LBPRGKRZSA-N 0 1 301.346 3.523 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(F)c(F)c(F)c1 ZINC000561967564 1027150343 /nfs/dbraw/zinc/15/03/43/1027150343.db2.gz GHQCPAKCCQAFTP-UHFFFAOYSA-N 0 1 324.302 3.687 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000571997569 1027164864 /nfs/dbraw/zinc/16/48/64/1027164864.db2.gz UCEPVIXBMAEPDA-SWLSCSKDSA-N 0 1 324.808 3.639 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](Cc2nccs2)C1 ZINC000932199366 1027408792 /nfs/dbraw/zinc/40/87/92/1027408792.db2.gz XIFSZSDLQLIMDT-CYBMUJFWSA-N 0 1 317.414 3.506 20 5 DHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000362958715 1027466406 /nfs/dbraw/zinc/46/64/06/1027466406.db2.gz RUTTUTJQWSOZNS-MNOVXSKESA-N 0 1 303.366 3.708 20 5 DHBDMN CSC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000814179418 1027918848 /nfs/dbraw/zinc/91/88/48/1027918848.db2.gz SVDIMYULFRGSPS-LBPRGKRZSA-N 0 1 314.838 3.823 20 5 DHBDMN Cc1c(CNCc2ccc(C(F)F)nc2)cccc1[N+](=O)[O-] ZINC000601119238 1027994099 /nfs/dbraw/zinc/99/40/99/1027994099.db2.gz VXKBTYNSOYCCAX-UHFFFAOYSA-N 0 1 307.300 3.526 20 5 DHBDMN Cc1c([C@@H]2CCC[N@@H+]2[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336644 1028169618 /nfs/dbraw/zinc/16/96/18/1028169618.db2.gz WKFCDNREJGLJBM-SJCJKPOMSA-N 0 1 314.389 3.535 20 5 DHBDMN Cc1c([C@@H]2CCCN2[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336644 1028169623 /nfs/dbraw/zinc/16/96/23/1028169623.db2.gz WKFCDNREJGLJBM-SJCJKPOMSA-N 0 1 314.389 3.535 20 5 DHBDMN C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769202 1028259667 /nfs/dbraw/zinc/25/96/67/1028259667.db2.gz NQOMFOJPUNTFGP-GXTWGEPZSA-N 0 1 306.406 3.947 20 5 DHBDMN CCc1nc([C@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152745 1028404900 /nfs/dbraw/zinc/40/49/00/1028404900.db2.gz AXUUFZFNQWMEOA-RYUDHWBXSA-N 0 1 319.430 3.896 20 5 DHBDMN CCn1ccnc1[C@@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449563758 1028807530 /nfs/dbraw/zinc/80/75/30/1028807530.db2.gz YGPFWIRFEDIBSE-JWAFFJSPSA-N 0 1 314.389 3.565 20 5 DHBDMN Cc1ccc(CN(C)[C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000372769261 1028896027 /nfs/dbraw/zinc/89/60/27/1028896027.db2.gz UGKMATDVRKCGOE-INIZCTEOSA-N 0 1 311.385 3.808 20 5 DHBDMN CCn1cc([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000449672423 1028898120 /nfs/dbraw/zinc/89/81/20/1028898120.db2.gz WDAAXNZBHGATTO-CYBMUJFWSA-N 0 1 316.405 3.785 20 5 DHBDMN Cc1nc2ccc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000570384986 1029361314 /nfs/dbraw/zinc/36/13/14/1029361314.db2.gz JBALHHREQPEKFX-JTQLQIEISA-N 0 1 324.340 3.522 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)c2ccccc2C1 ZINC000374806657 1029464924 /nfs/dbraw/zinc/46/49/24/1029464924.db2.gz MUFCOEFAANMEKX-UGSOOPFHSA-N 0 1 312.369 3.595 20 5 DHBDMN O=[N+]([O-])c1ccc(/C=C\Sc2nc(-c3ccccc3)n[nH]2)o1 ZINC000821690875 1029867078 /nfs/dbraw/zinc/86/70/78/1029867078.db2.gz XAQOWJXVDKSYRI-HJWRWDBZSA-N 0 1 314.326 3.736 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000924796933 1030190444 /nfs/dbraw/zinc/19/04/44/1030190444.db2.gz DQXPWKJSIDPGAN-OLZOCXBDSA-N 0 1 314.389 3.928 20 5 DHBDMN CSc1cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000357876157 1030232242 /nfs/dbraw/zinc/23/22/42/1030232242.db2.gz WTUHHIIIROLIDD-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN CC1(C)C[C@H](NCc2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000866474827 1030312494 /nfs/dbraw/zinc/31/24/94/1030312494.db2.gz OJACRENLKBQHQG-HNNXBMFYSA-N 0 1 315.348 3.641 20 5 DHBDMN Cc1ccc(CN[C@@H](c2cncc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000866540881 1030362343 /nfs/dbraw/zinc/36/23/43/1030362343.db2.gz SJOJEFWONLYUSU-QGZVFWFLSA-N 0 1 315.348 3.678 20 5 DHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC(F)(F)C1 ZINC000296682551 1030761086 /nfs/dbraw/zinc/76/10/86/1030761086.db2.gz BMGRVOVMJLNFBM-UHFFFAOYSA-N 0 1 304.724 3.725 20 5 DHBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000926894298 1030972803 /nfs/dbraw/zinc/97/28/03/1030972803.db2.gz XOCITYKSQJGUGG-CHWSQXEVSA-N 0 1 314.389 3.928 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cncc(C)c1 ZINC000872052503 1031440508 /nfs/dbraw/zinc/44/05/08/1031440508.db2.gz SOKRNDKLLFNUNZ-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053921 1031443461 /nfs/dbraw/zinc/44/34/61/1031443461.db2.gz YLVYECSCSFRTEH-VHSXEESVSA-N 0 1 321.352 3.793 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293641660 1031553056 /nfs/dbraw/zinc/55/30/56/1031553056.db2.gz IBRDKEWXBGNSAI-ZJUUUORDSA-N 0 1 321.327 3.867 20 5 DHBDMN O=[N+]([O-])CCN[C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000930241821 1031753502 /nfs/dbraw/zinc/75/35/02/1031753502.db2.gz MSXMDWSMGJYECN-LBPRGKRZSA-N 0 1 322.714 3.676 20 5 DHBDMN COc1cccc(C2(NCc3ccc(C)c([N+](=O)[O-])c3)CC2)c1 ZINC000150897088 1033394692 /nfs/dbraw/zinc/39/46/92/1033394692.db2.gz ULJHWTLXSMSJNF-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)cc1Cl ZINC000862473064 1033862873 /nfs/dbraw/zinc/86/28/73/1033862873.db2.gz CLPWMZALXCWOCA-NEPJUHHUSA-N 0 1 312.822 3.718 20 5 DHBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000175987269 1034062449 /nfs/dbraw/zinc/06/24/49/1034062449.db2.gz WZPPAAVIIXVSBJ-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000879998808 1034174525 /nfs/dbraw/zinc/17/45/25/1034174525.db2.gz ASFFLFUNFADKJX-GXFFZTMASA-N 0 1 302.296 3.930 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C(F)(F)F)C1 ZINC000880000802 1034176009 /nfs/dbraw/zinc/17/60/09/1034176009.db2.gz KXFPYIRUCCRRGU-MFKMUULPSA-N 0 1 302.296 3.930 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](C)(C(F)(F)F)C1 ZINC000880000798 1034177913 /nfs/dbraw/zinc/17/79/13/1034177913.db2.gz KXFPYIRUCCRRGU-GWCFXTLKSA-N 0 1 302.296 3.930 20 5 DHBDMN Cc1c(Nc2ccc3cc4ccc(N)cc4nc3c2)cnn1C ZINC001174390489 1034365697 /nfs/dbraw/zinc/36/56/97/1034365697.db2.gz HOEGYYPPPCTYJY-UHFFFAOYSA-N 0 1 303.369 3.756 20 5 DHBDMN COc1cc(CN[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184297577 1034462586 /nfs/dbraw/zinc/46/25/86/1034462586.db2.gz SLBRSCGUCGWPGR-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN CCSc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000187793415 1034734624 /nfs/dbraw/zinc/73/46/24/1034734624.db2.gz QNFSXZXCXQYTPL-GFCCVEGCSA-N 0 1 317.414 3.953 20 5 DHBDMN O=[N+]([O-])c1cccc(OCCN2Cc3ccccc3C3(CC3)C2)c1 ZINC000481776827 1034973793 /nfs/dbraw/zinc/97/37/93/1034973793.db2.gz IEEFLIJZXUXOGY-UHFFFAOYSA-N 0 1 324.380 3.521 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000924799729 1035434805 /nfs/dbraw/zinc/43/48/05/1035434805.db2.gz UGYYBSWXQCKBCJ-OLZOCXBDSA-N 0 1 314.389 3.928 20 5 DHBDMN COCCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000485147362 1035478358 /nfs/dbraw/zinc/47/83/58/1035478358.db2.gz ZOLLTWMMRUAFTR-CQSZACIVSA-N 0 1 322.380 3.539 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000494699987 1035779582 /nfs/dbraw/zinc/77/95/82/1035779582.db2.gz AJCNDYSZYSLEOI-HIFRSBDPSA-N 0 1 304.390 3.547 20 5 DHBDMN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000443341650 1036075594 /nfs/dbraw/zinc/07/55/94/1036075594.db2.gz IWXUZHKKGWREDZ-UHFFFAOYSA-N 0 1 304.390 3.518 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC001195214422 1036183014 /nfs/dbraw/zinc/18/30/14/1036183014.db2.gz VCRRKXDHEMPJQP-CYBMUJFWSA-N 0 1 306.406 3.862 20 5 DHBDMN COc1ccc2c(c1)[C@H](NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000271477978 1036252825 /nfs/dbraw/zinc/25/28/25/1036252825.db2.gz MWLQESKYLOTYBP-QGZVFWFLSA-N 0 1 312.369 3.771 20 5 DHBDMN O=C(Nc1ccccc1SC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000027383208 1036339322 /nfs/dbraw/zinc/33/93/22/1036339322.db2.gz MCLBBJFJGAFLOJ-UHFFFAOYSA-N 0 1 314.269 3.755 20 5 DHBDMN CCCCC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803257 1036421854 /nfs/dbraw/zinc/42/18/54/1036421854.db2.gz WDPXBDMWNRORGJ-CQSZACIVSA-N 0 1 319.405 3.578 20 5 DHBDMN CCCCC[C@@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803257 1036421865 /nfs/dbraw/zinc/42/18/65/1036421865.db2.gz WDPXBDMWNRORGJ-CQSZACIVSA-N 0 1 319.405 3.578 20 5 DHBDMN C[C@H]1c2sccc2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001197431449 1036775280 /nfs/dbraw/zinc/77/52/80/1036775280.db2.gz FJSSGHRBXHIZGA-LBPRGKRZSA-N 0 1 318.398 3.654 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@@H](C4CC4)C3)c2c1 ZINC000763334247 1037587850 /nfs/dbraw/zinc/58/78/50/1037587850.db2.gz VTEUMGQHWSZIEY-LLVKDONJSA-N 0 1 319.386 3.561 20 5 DHBDMN CCCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCCCO1 ZINC000491079262 1037894718 /nfs/dbraw/zinc/89/47/18/1037894718.db2.gz SJYOIOYJGIQSTJ-HNNXBMFYSA-N 0 1 310.369 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000589521540 1038500402 /nfs/dbraw/zinc/50/04/02/1038500402.db2.gz FKXZXJHDGVBWRJ-MAUKXSAKSA-N 0 1 324.380 3.593 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cs1 ZINC000589743976 1038535146 /nfs/dbraw/zinc/53/51/46/1038535146.db2.gz VKOWHAMJPSQMSM-ZNMIVQPWSA-N 0 1 324.446 3.562 20 5 DHBDMN CCOc1cncc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000598634613 1038792720 /nfs/dbraw/zinc/79/27/20/1038792720.db2.gz PRWCRZBRSPUUHA-ZDUSSCGKSA-N 0 1 315.373 3.548 20 5 DHBDMN CCOc1cncc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000598634612 1038794008 /nfs/dbraw/zinc/79/40/08/1038794008.db2.gz PRWCRZBRSPUUHA-CYBMUJFWSA-N 0 1 315.373 3.548 20 5 DHBDMN CC[C@H](OCCNCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593664264 1038997784 /nfs/dbraw/zinc/99/77/84/1038997784.db2.gz IPHXWOVDXBJHFJ-SFHVURJKSA-N 0 1 314.385 3.852 20 5 DHBDMN Cc1ccc2c(c1)[C@H](NCc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000593677181 1039043042 /nfs/dbraw/zinc/04/30/42/1039043042.db2.gz SZWWGCVMQPTHFZ-QGZVFWFLSA-N 0 1 300.333 3.819 20 5 DHBDMN C[C@H]1CC2(CN1Cc1ccc(Cl)cc1[N+](=O)[O-])CCOCC2 ZINC000592181476 1039162924 /nfs/dbraw/zinc/16/29/24/1039162924.db2.gz FBTDLLQEEODISR-LBPRGKRZSA-N 0 1 324.808 3.639 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(C)(CC(F)F)C1 ZINC000592522920 1039595588 /nfs/dbraw/zinc/59/55/88/1039595588.db2.gz IBWFVHOSMTXEEP-WUXMJOGZSA-N 0 1 310.344 3.975 20 5 DHBDMN COc1c(C)cccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594512573 1039816567 /nfs/dbraw/zinc/81/65/67/1039816567.db2.gz WFSKPAIYVKPDSQ-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1c(C)cccc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594520660 1039827571 /nfs/dbraw/zinc/82/75/71/1039827571.db2.gz KGTQAULPPIPCFG-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201895 1039833986 /nfs/dbraw/zinc/83/39/86/1039833986.db2.gz UGYHMDUEBNWQJN-GHMZBOCLSA-N 0 1 303.362 3.920 20 5 DHBDMN COCc1csc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000594725080 1039897912 /nfs/dbraw/zinc/89/79/12/1039897912.db2.gz JJMGJSWQQWRRGQ-NSHDSACASA-N 0 1 306.387 3.654 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000594026294 1039950648 /nfs/dbraw/zinc/95/06/48/1039950648.db2.gz IJASOMHFLJLWRP-ZFWWWQNUSA-N 0 1 304.390 3.689 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(C(F)(F)F)CC1 ZINC000595048801 1040049782 /nfs/dbraw/zinc/04/97/82/1040049782.db2.gz JTVDTDZSNYBIKF-SECBINFHSA-N 0 1 318.295 3.597 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000595089890 1040076770 /nfs/dbraw/zinc/07/67/70/1040076770.db2.gz QDQUXGBUWZWIJU-KPZWWZAWSA-N 0 1 312.369 3.947 20 5 DHBDMN CCCO[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312951 1040104481 /nfs/dbraw/zinc/10/44/81/1040104481.db2.gz QAEHWMVQNSIZAK-OAHLLOKOSA-N 0 1 310.369 3.515 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2ccncc2)C1 ZINC000595488991 1040141610 /nfs/dbraw/zinc/14/16/10/1040141610.db2.gz MTNVHUDPMWSPOD-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000595503142 1040154870 /nfs/dbraw/zinc/15/48/70/1040154870.db2.gz QRQYICPOQJHSQY-CYBMUJFWSA-N 0 1 315.348 3.509 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000595830129 1040264527 /nfs/dbraw/zinc/26/45/27/1040264527.db2.gz BAACLPXHTLUFST-RDTXWAMCSA-N 0 1 312.369 3.809 20 5 DHBDMN CCS[C@@H]1CC[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350065 1040630206 /nfs/dbraw/zinc/63/02/06/1040630206.db2.gz GIGGLRIVAARAGA-ZIAGYGMSSA-N 0 1 312.410 3.840 20 5 DHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1N ZINC000602441154 1041032914 /nfs/dbraw/zinc/03/29/14/1041032914.db2.gz UKTZUDSVUBMKJG-UHFFFAOYSA-N 0 1 317.364 3.727 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000602853648 1041266847 /nfs/dbraw/zinc/26/68/47/1041266847.db2.gz KBLRSIGUZVPBPN-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000092454148 185319468 /nfs/dbraw/zinc/31/94/68/185319468.db2.gz KPRVFJJZVLTOJV-UHFFFAOYSA-N 0 1 306.406 3.683 20 5 DHBDMN CC(C)COC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092223025 193176452 /nfs/dbraw/zinc/17/64/52/193176452.db2.gz LSIJRLZUJJICAQ-FNORWQNLSA-N 0 1 318.417 3.745 20 5 DHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC1 ZINC000093475674 193257174 /nfs/dbraw/zinc/25/71/74/193257174.db2.gz POTUOBRIPCYQBD-UHFFFAOYSA-N 0 1 303.387 3.703 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022745659 182332363 /nfs/dbraw/zinc/33/23/63/182332363.db2.gz QBOKKMOAFDYLBJ-CYBMUJFWSA-N 0 1 300.358 3.796 20 5 DHBDMN COc1cc(CN2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184223004 335064089 /nfs/dbraw/zinc/06/40/89/335064089.db2.gz RKPQQCPDRJNGHC-FZMZJTMJSA-N 0 1 308.353 3.507 20 5 DHBDMN CC(C)(CO)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000289249058 131368686 /nfs/dbraw/zinc/36/86/86/131368686.db2.gz CGERKMUKRYDTNG-OAHLLOKOSA-N 0 1 320.414 3.506 20 5 DHBDMN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)c1cccnc1 ZINC000290628805 131504731 /nfs/dbraw/zinc/50/47/31/131504731.db2.gz XTETUMJSFWIRSG-ZDUSSCGKSA-N 0 1 315.373 3.582 20 5 DHBDMN COC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413234 332829927 /nfs/dbraw/zinc/82/99/27/332829927.db2.gz BPLIRVSYJAZFHL-GUYCJALGSA-N 0 1 300.358 3.633 20 5 DHBDMN COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952493 331607461 /nfs/dbraw/zinc/60/74/61/331607461.db2.gz HZJWNZJSLRQMPE-KDOFPFPSSA-N 0 1 314.385 3.942 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CF)o2)cc1 ZINC000569484409 332101348 /nfs/dbraw/zinc/10/13/48/332101348.db2.gz GWQSKHTUGJTYRW-CQSZACIVSA-N 0 1 304.321 3.789 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H]3CF)o2)cc1 ZINC000569484409 332101349 /nfs/dbraw/zinc/10/13/49/332101349.db2.gz GWQSKHTUGJTYRW-CQSZACIVSA-N 0 1 304.321 3.789 20 5 DHBDMN COc1ccc(CN2CCC=C(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000560168767 332316568 /nfs/dbraw/zinc/31/65/68/332316568.db2.gz TXCHHWHHUWCHIU-UHFFFAOYSA-N 0 1 324.380 3.893 20 5 DHBDMN CCC[C@H](N[C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719380 333143003 /nfs/dbraw/zinc/14/30/03/333143003.db2.gz QTDLWKBVXLFSRB-SJCJKPOMSA-N 0 1 316.405 3.829 20 5 DHBDMN CCC[C@@H](NCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000120649282 333304361 /nfs/dbraw/zinc/30/43/61/333304361.db2.gz RTEOIVSULRGVBD-MRXNPFEDSA-N 0 1 315.373 3.629 20 5 DHBDMN CCCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000565442093 333521783 /nfs/dbraw/zinc/52/17/83/333521783.db2.gz ATIJIQKJDKFUOV-UHFFFAOYSA-N 0 1 320.389 3.875 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccnn1-c1ccccc1 ZINC000343491224 335169077 /nfs/dbraw/zinc/16/90/77/335169077.db2.gz OQQCMOYSHRZFAU-CQSZACIVSA-N 0 1 322.368 3.631 20 5 DHBDMN C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000414615996 334042134 /nfs/dbraw/zinc/04/21/34/334042134.db2.gz HKDUMGPGARODRC-RBJHHQRMSA-N 0 1 316.361 3.584 20 5 DHBDMN CO[C@H](c1ccccc1F)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000345690025 335342059 /nfs/dbraw/zinc/34/20/59/335342059.db2.gz GJGJPJMWSYFEQB-BONVTDFDSA-N 0 1 324.377 3.661 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000350046021 335721374 /nfs/dbraw/zinc/72/13/74/335721374.db2.gz BUQIZUUUUVBPQV-INIZCTEOSA-N 0 1 316.405 3.514 20 5 DHBDMN COc1cc(CN(Cc2cccs2)C2CC2)ccc1[N+](=O)[O-] ZINC000351970748 336184208 /nfs/dbraw/zinc/18/42/08/336184208.db2.gz INZFSFXWBZSWDJ-UHFFFAOYSA-N 0 1 318.398 3.830 20 5 DHBDMN COc1cc(CN(C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000352406503 336216464 /nfs/dbraw/zinc/21/64/64/336216464.db2.gz QDGNLJQFKWHYDW-UHFFFAOYSA-N 0 1 306.387 3.605 20 5 DHBDMN CC[C@@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352777575 336235851 /nfs/dbraw/zinc/23/58/51/336235851.db2.gz HKIJDFJMDITRNR-HNNXBMFYSA-N 0 1 315.373 3.582 20 5 DHBDMN Cc1cc(NC[C@H](c2ccco2)N(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301439780 336306977 /nfs/dbraw/zinc/30/69/77/336306977.db2.gz LWCXOLSNIRBXCI-CQSZACIVSA-N 0 1 323.780 3.864 20 5 DHBDMN Cc1ccc([C@H](CNc2sccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000301999438 336342368 /nfs/dbraw/zinc/34/23/68/336342368.db2.gz RCSFVMIERIMMND-ZDUSSCGKSA-N 0 1 321.402 3.807 20 5 DHBDMN O=[N+]([O-])c1ccsc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000302010515 336342925 /nfs/dbraw/zinc/34/29/25/336342925.db2.gz YHUAYPYZJJICMD-LBPRGKRZSA-N 0 1 323.443 3.967 20 5 DHBDMN O=[N+]([O-])c1ccsc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000302010447 336342968 /nfs/dbraw/zinc/34/29/68/336342968.db2.gz YEEIJWZQMRTTHF-UHFFFAOYSA-N 0 1 322.346 3.732 20 5 DHBDMN O=[N+]([O-])c1ccsc1Nc1cnn(-c2ccccc2F)c1 ZINC000302013417 336343068 /nfs/dbraw/zinc/34/30/68/336343068.db2.gz KUSYQSXVEYCCDL-UHFFFAOYSA-N 0 1 304.306 3.725 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(OC2CCC2)CC1 ZINC000418096170 336399084 /nfs/dbraw/zinc/39/90/84/336399084.db2.gz UXCFCFWFBBETPN-XQRVVYSFSA-N 0 1 316.401 3.642 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000361886931 336776834 /nfs/dbraw/zinc/77/68/34/336776834.db2.gz BAALADOJAMJIBP-PBHICJAKSA-N 0 1 314.385 3.678 20 5 DHBDMN Cc1ccc(CN2CC[C@@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186441590 337256155 /nfs/dbraw/zinc/25/61/55/337256155.db2.gz SXNHLVXJRACCTN-IBGZPJMESA-N 0 1 324.380 3.535 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536860768 337746691 /nfs/dbraw/zinc/74/66/91/337746691.db2.gz AWSSKATYKWGODC-GUYCJALGSA-N 0 1 312.369 3.996 20 5 DHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000424314218 337819624 /nfs/dbraw/zinc/81/96/24/337819624.db2.gz CAKSEBLNDYYAIK-FSPWUOQZSA-N 0 1 314.360 3.753 20 5 DHBDMN C[C@H](C(=O)Nc1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1 ZINC000516529929 338013511 /nfs/dbraw/zinc/01/35/11/338013511.db2.gz KLAXPHUMZRKKPE-VIFPVBQESA-N 0 1 320.732 3.696 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CNC1(c2ccccc2)CCC1 ZINC000430234828 338102499 /nfs/dbraw/zinc/10/24/99/338102499.db2.gz WXYKUICNAJMZQM-UHFFFAOYSA-N 0 1 312.369 3.772 20 5 DHBDMN CC1(C)CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000435053719 338231167 /nfs/dbraw/zinc/23/11/67/338231167.db2.gz VFSGFESRTOTFLT-FNORWQNLSA-N 0 1 306.431 3.826 20 5 DHBDMN COc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1[N+](=O)[O-] ZINC000435705539 338245836 /nfs/dbraw/zinc/24/58/36/338245836.db2.gz NKDKMLFUROJASD-UHFFFAOYSA-N 0 1 315.354 3.869 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C)cc1 ZINC000194568821 338567320 /nfs/dbraw/zinc/56/73/20/338567320.db2.gz NEXVMPUBTITRMJ-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@@H](N[C@@H](C)Cc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000449319163 338612348 /nfs/dbraw/zinc/61/23/48/338612348.db2.gz JAUVHIIIHKYEAO-WDEREUQCSA-N 0 1 321.327 3.550 20 5 DHBDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000194620175 338647797 /nfs/dbraw/zinc/64/77/97/338647797.db2.gz WLJHIUWCXUGKKC-INIZCTEOSA-N 0 1 312.369 3.771 20 5 DHBDMN COc1cc(CN2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000463470907 339118945 /nfs/dbraw/zinc/11/89/45/339118945.db2.gz UEMSHJCDWYVCBR-IUODEOHRSA-N 0 1 322.380 3.897 20 5 DHBDMN Cn1cccc1[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000472315451 339369670 /nfs/dbraw/zinc/36/96/70/339369670.db2.gz NQKIDCJJOQRWMJ-GOSISDBHSA-N 0 1 313.401 3.703 20 5 DHBDMN Cc1ccc([C@H](C)[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507189050 340211986 /nfs/dbraw/zinc/21/19/86/340211986.db2.gz HWEAGRIEMFOILF-ZDUSSCGKSA-N 0 1 300.358 3.802 20 5 DHBDMN Cc1ccc([C@H](C)[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507189050 340211987 /nfs/dbraw/zinc/21/19/87/340211987.db2.gz HWEAGRIEMFOILF-ZDUSSCGKSA-N 0 1 300.358 3.802 20 5 DHBDMN CC[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000511522692 340329236 /nfs/dbraw/zinc/32/92/36/340329236.db2.gz MVEQOHRLHITXNF-NSHDSACASA-N 0 1 300.305 3.571 20 5 DHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccon1 ZINC000542699567 341017852 /nfs/dbraw/zinc/01/78/52/341017852.db2.gz JLXZOCTVDYOTMM-VXGBXAGGSA-N 0 1 321.402 3.804 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)cc1C ZINC000542703706 341018234 /nfs/dbraw/zinc/01/82/34/341018234.db2.gz YUGZLHUVVOUFQX-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@H]1c1cccn1C ZINC000544611467 341088773 /nfs/dbraw/zinc/08/87/73/341088773.db2.gz RRHOLYSYUHQLAT-SFHVURJKSA-N 0 1 313.401 3.969 20 5 DHBDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075896736 341188393 /nfs/dbraw/zinc/18/83/93/341188393.db2.gz XNNWENGZPZBZKI-GFCCVEGCSA-N 0 1 320.414 3.728 20 5 DHBDMN COc1ccccc1C[C@@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000075896736 341188394 /nfs/dbraw/zinc/18/83/94/341188394.db2.gz XNNWENGZPZBZKI-GFCCVEGCSA-N 0 1 320.414 3.728 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1ccccc1C ZINC000555612411 341486988 /nfs/dbraw/zinc/48/69/88/341486988.db2.gz MFVMBWYTFADUHK-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN CC(C)COC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266526818 519752122 /nfs/dbraw/zinc/75/21/22/519752122.db2.gz KKWHMGDBLURMOI-AWEZNQCLSA-N 0 1 306.406 3.793 20 5 DHBDMN COc1cc(C)ccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124556467 522260316 /nfs/dbraw/zinc/26/03/16/522260316.db2.gz OHDMRTMVUOQAMX-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1cc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000156877496 522357336 /nfs/dbraw/zinc/35/73/36/522357336.db2.gz BJYAEJBTQMADEJ-LBPRGKRZSA-N 0 1 316.357 3.502 20 5 DHBDMN C[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157670176 524095420 /nfs/dbraw/zinc/09/54/20/524095420.db2.gz LEQLUQXXQOWVRF-LBPRGKRZSA-N 0 1 317.414 3.950 20 5 DHBDMN Cc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000266906335 524767130 /nfs/dbraw/zinc/76/71/30/524767130.db2.gz VEOCFQZXKNHBPH-ZDUSSCGKSA-N 0 1 300.358 3.768 20 5 DHBDMN C[C@H]1N(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368813217 525003050 /nfs/dbraw/zinc/00/30/50/525003050.db2.gz DKIUEUSRTRNNTD-GFCCVEGCSA-N 0 1 324.808 3.639 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCCC3(CCOCC3)C2)ccc1Cl ZINC000366389025 527330172 /nfs/dbraw/zinc/33/01/72/527330172.db2.gz MWSIEDHOQSLFIY-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CCS[C@@H]1CCCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000353610002 535704296 /nfs/dbraw/zinc/70/42/96/535704296.db2.gz VKJFIXPGKPLQCK-GFCCVEGCSA-N 0 1 300.449 3.764 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000121119412 1014997608 /nfs/dbraw/zinc/99/76/08/1014997608.db2.gz HUNDVAFZWSHFAC-CQSZACIVSA-N 0 1 322.368 3.631 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000846847753 1032110869 /nfs/dbraw/zinc/11/08/69/1032110869.db2.gz NXGBLICIZMWUKS-JTQLQIEISA-N 0 1 323.755 3.942 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000933485348 1015365751 /nfs/dbraw/zinc/36/57/51/1015365751.db2.gz BWQTUVVKBUMLPM-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277233178 1016089002 /nfs/dbraw/zinc/08/90/02/1016089002.db2.gz MLZNUSQAWUIMEZ-TUAOUCFPSA-N 0 1 317.393 3.638 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CNC3CC(F)(F)C3)o2)c1 ZINC000277364340 1016244091 /nfs/dbraw/zinc/24/40/91/1016244091.db2.gz BABHPRDFIGNTIE-UHFFFAOYSA-N 0 1 308.284 3.742 20 5 DHBDMN O=[N+]([O-])CCN1CCC(Cc2cc(Cl)ccc2Cl)CC1 ZINC001167562206 1016572525 /nfs/dbraw/zinc/57/25/25/1016572525.db2.gz INHFHPBANQJLIJ-UHFFFAOYSA-N 0 1 317.216 3.525 20 5 DHBDMN Cc1c(CN[C@@H](C)c2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000478498338 1016702281 /nfs/dbraw/zinc/70/22/81/1016702281.db2.gz FWSCWVNQDJCITP-AWEZNQCLSA-N 0 1 313.401 3.820 20 5 DHBDMN COc1cc(CN2CC[C@@H](C)C3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000362181288 1032262657 /nfs/dbraw/zinc/26/26/57/1032262657.db2.gz OSCCQYPVAIQENU-GFCCVEGCSA-N 0 1 322.380 3.755 20 5 DHBDMN COc1cc(CN2CC[C@@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190312 1032265902 /nfs/dbraw/zinc/26/59/02/1032265902.db2.gz LPHUUJBJZBXHEI-SJKOYZFVSA-N 0 1 322.380 3.755 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000475271328 1017109429 /nfs/dbraw/zinc/10/94/29/1017109429.db2.gz CLUHHHASYFDDPY-GXFFZTMASA-N 0 1 302.296 3.676 20 5 DHBDMN C[C@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000748084830 1012688090 /nfs/dbraw/zinc/68/80/90/1012688090.db2.gz VOPQAJBQZCMQFK-NSHDSACASA-N 0 1 321.402 3.951 20 5 DHBDMN CC[N@@H+](CCC1CC1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000760538018 1032687009 /nfs/dbraw/zinc/68/70/09/1032687009.db2.gz IHSDWKRULXUZFV-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN CN(CCCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444591597 1017581210 /nfs/dbraw/zinc/58/12/10/1017581210.db2.gz BSUHSAWCLNQPKT-UHFFFAOYSA-N 0 1 324.384 3.536 20 5 DHBDMN C[C@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444611103 1017592918 /nfs/dbraw/zinc/59/29/18/1017592918.db2.gz PWTLOIJOGJOVKI-CYBMUJFWSA-N 0 1 324.384 3.707 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1c2ccccc2C[C@@H]1C ZINC000178729183 1017895257 /nfs/dbraw/zinc/89/52/57/1017895257.db2.gz KHTXQLNXDPYVSV-SGTLLEGYSA-N 0 1 312.369 3.627 20 5 DHBDMN CCO[C@@H](CNCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000446833035 1018264544 /nfs/dbraw/zinc/26/45/44/1018264544.db2.gz FGETWWQHCTVJCF-KRWDZBQOSA-N 0 1 318.348 3.601 20 5 DHBDMN Cc1c(CSc2nc(C(C)(C)C)n[nH]2)cccc1[N+](=O)[O-] ZINC000042155233 1018454872 /nfs/dbraw/zinc/45/48/72/1018454872.db2.gz TZMIMODOYGNUQL-UHFFFAOYSA-N 0 1 306.391 3.611 20 5 DHBDMN Cc1c(CSc2n[nH]c(C(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000042155233 1018454877 /nfs/dbraw/zinc/45/48/77/1018454877.db2.gz TZMIMODOYGNUQL-UHFFFAOYSA-N 0 1 306.391 3.611 20 5 DHBDMN CCC[C@@H](CNCc1cc([N+](=O)[O-])ccc1Cl)OCC ZINC000705349814 1018648433 /nfs/dbraw/zinc/64/84/33/1018648433.db2.gz GVAYZLLCGPHEOV-ZDUSSCGKSA-N 0 1 300.786 3.543 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000765422000 1018780925 /nfs/dbraw/zinc/78/09/25/1018780925.db2.gz XHHGKWOZEXSVCW-SNVBAGLBSA-N 0 1 321.764 3.503 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(Nc2ccn([C@H](C)c3ccccc3)n2)n1 ZINC000765527529 1018874160 /nfs/dbraw/zinc/87/41/60/1018874160.db2.gz PKKRHPYWMLBXLW-CYBMUJFWSA-N 0 1 323.356 3.848 20 5 DHBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000067949207 1019821511 /nfs/dbraw/zinc/82/15/11/1019821511.db2.gz BAVJYZCYCNFQRF-CYBMUJFWSA-N 0 1 309.753 3.556 20 5 DHBDMN Cc1cc(N(C)CCOC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000611928777 1019873445 /nfs/dbraw/zinc/87/34/45/1019873445.db2.gz ORSUOSCHXOJFTF-UHFFFAOYSA-N 0 1 317.389 3.703 20 5 DHBDMN CCOc1ccccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000318023121 1020025884 /nfs/dbraw/zinc/02/58/84/1020025884.db2.gz KUBRUYFLTSAWMV-UHFFFAOYSA-N 0 1 300.358 3.592 20 5 DHBDMN Cc1cc(NC2CCC(F)(F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000390023796 1020169091 /nfs/dbraw/zinc/16/90/91/1020169091.db2.gz VGHYYBSVHHHZSZ-UHFFFAOYSA-N 0 1 321.327 3.863 20 5 DHBDMN CCN(C)c1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765849195 1020502632 /nfs/dbraw/zinc/50/26/32/1020502632.db2.gz NRNLCSFMXCUFEE-AWEZNQCLSA-N 0 1 313.401 3.902 20 5 DHBDMN Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000734085820 1020558800 /nfs/dbraw/zinc/55/88/00/1020558800.db2.gz BHDBTWIRBQJKIQ-HIFRSBDPSA-N 0 1 314.341 3.724 20 5 DHBDMN CO[C@](C)([C@@H](C)NCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963927 1020637787 /nfs/dbraw/zinc/63/77/87/1020637787.db2.gz CRLUZZRGHVPHDF-MEBBXXQBSA-N 0 1 312.797 3.541 20 5 DHBDMN Cc1nn(CN2CCC[C@H](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738237704 1020867782 /nfs/dbraw/zinc/86/77/82/1020867782.db2.gz BHJKLNWYGXAVHP-AWEZNQCLSA-N 0 1 308.426 3.514 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccccc1C ZINC000172451986 1020891029 /nfs/dbraw/zinc/89/10/29/1020891029.db2.gz FIAMIQGWSTVRCA-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000338927783 1021376428 /nfs/dbraw/zinc/37/64/28/1021376428.db2.gz CTDACNSLYWVXTA-INIZCTEOSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000338927783 1021376443 /nfs/dbraw/zinc/37/64/43/1021376443.db2.gz CTDACNSLYWVXTA-INIZCTEOSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000338927783 1021376460 /nfs/dbraw/zinc/37/64/60/1021376460.db2.gz CTDACNSLYWVXTA-INIZCTEOSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3ccccc3C3CC3)nc2c1 ZINC000618618674 1021456080 /nfs/dbraw/zinc/45/60/80/1021456080.db2.gz GKVURAUPRCKCDD-UHFFFAOYSA-N 0 1 322.368 3.638 20 5 DHBDMN C[C@H](NCc1nccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000746049220 1021835870 /nfs/dbraw/zinc/83/58/70/1021835870.db2.gz MYLQSHMWFBCREB-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ccccn3)C2)cc1F ZINC000852084138 1022070603 /nfs/dbraw/zinc/07/06/03/1022070603.db2.gz QEPGTZLQJKCLBA-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)cc1F ZINC000852594141 1022146234 /nfs/dbraw/zinc/14/62/34/1022146234.db2.gz AASVSGBRFSWOGE-RHSMWYFYSA-N 0 1 322.380 3.515 20 5 DHBDMN CC(C)(C)C1=CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001168933682 1022186296 /nfs/dbraw/zinc/18/62/96/1022186296.db2.gz PVXHCLOCAJBHHT-UHFFFAOYSA-N 0 1 304.390 3.652 20 5 DHBDMN CC[C@]1(CO)CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190211335 1022341646 /nfs/dbraw/zinc/34/16/46/1022341646.db2.gz AWTVZYAOKCBTQL-SFHVURJKSA-N 0 1 320.433 3.703 20 5 DHBDMN CN(Cc1ccc(F)cc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338982368 1022716621 /nfs/dbraw/zinc/71/66/21/1022716621.db2.gz XJDAASJFNHHTJY-UHFFFAOYSA-N 0 1 324.739 3.725 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475854 1022723319 /nfs/dbraw/zinc/72/33/19/1022723319.db2.gz QNKHBKGULAVJPL-SJORKVTESA-N 0 1 324.380 3.922 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475849 1022723565 /nfs/dbraw/zinc/72/35/65/1022723565.db2.gz QNKHBKGULAVJPL-DLBZAZTESA-N 0 1 324.380 3.922 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000768252295 1022933637 /nfs/dbraw/zinc/93/36/37/1022933637.db2.gz ISWRDAQUEXKLBK-UHFFFAOYSA-N 0 1 312.369 3.508 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccco3)C2)ccc1Cl ZINC000768541921 1022985200 /nfs/dbraw/zinc/98/52/00/1022985200.db2.gz MYMVPNOLFNHZPL-GFCCVEGCSA-N 0 1 306.749 3.831 20 5 DHBDMN O=C(O[C@H](C1CCCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])[nH]1 ZINC000770221233 1023285448 /nfs/dbraw/zinc/28/54/48/1023285448.db2.gz ILOPSSWLTWRRBP-LLVKDONJSA-N 0 1 320.267 3.591 20 5 DHBDMN Cc1ncc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278841873 1023471706 /nfs/dbraw/zinc/47/17/06/1023471706.db2.gz UWYNNYZVCWPFKY-OAHLLOKOSA-N 0 1 303.387 3.527 20 5 DHBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cc2ccccc2o1 ZINC000786475042 1023694224 /nfs/dbraw/zinc/69/42/24/1023694224.db2.gz PSBNWUWPRANWJK-VIFPVBQESA-N 0 1 300.270 3.587 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCc3c1cccc3O)CCC2 ZINC000278849887 1023778900 /nfs/dbraw/zinc/77/89/00/1023778900.db2.gz VOEHEUNAQNIKHV-ZWKOTPCHSA-N 0 1 324.380 3.955 20 5 DHBDMN CN(CCc1cccs1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675333 1023784524 /nfs/dbraw/zinc/78/45/24/1023784524.db2.gz TWULBPLVZAPXQI-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCc2ccccc21 ZINC000788010954 1023836310 /nfs/dbraw/zinc/83/63/10/1023836310.db2.gz UQQCFUYZOQFSAJ-MRXNPFEDSA-N 0 1 300.333 3.853 20 5 DHBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC000788268822 1023869528 /nfs/dbraw/zinc/86/95/28/1023869528.db2.gz JIOBPXGXPVDKAS-UHFFFAOYSA-N 0 1 311.341 3.808 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000053814911 1023928214 /nfs/dbraw/zinc/92/82/14/1023928214.db2.gz NOOVQORHYNDTNH-UHFFFAOYSA-N 0 1 310.353 3.590 20 5 DHBDMN CC[C@H](N[C@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738048 1024290329 /nfs/dbraw/zinc/29/03/29/1024290329.db2.gz GJMIZFGBIWKCQJ-ZWKOTPCHSA-N 0 1 314.385 3.678 20 5 DHBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CSCc3ccccc32)c1 ZINC000051634409 1024313956 /nfs/dbraw/zinc/31/39/56/1024313956.db2.gz DAARPGUSYDTPMG-MRXNPFEDSA-N 0 1 300.383 3.673 20 5 DHBDMN COc1ccc(C2CC2)cc1CNCc1cccc([N+](=O)[O-])c1 ZINC000883258768 1024329565 /nfs/dbraw/zinc/32/95/65/1024329565.db2.gz PBVHDCNGENLWEF-UHFFFAOYSA-N 0 1 312.369 3.771 20 5 DHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(C)no1 ZINC000271173788 1024466689 /nfs/dbraw/zinc/46/66/89/1024466689.db2.gz USTZTGYIHGVRMB-GFCCVEGCSA-N 0 1 321.402 3.552 20 5 DHBDMN COc1ccccc1C(C)(C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000283074838 1024585979 /nfs/dbraw/zinc/58/59/79/1024585979.db2.gz KJMJRHLMWOGHBH-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1c1cccnc1 ZINC000348931365 1024650670 /nfs/dbraw/zinc/65/06/70/1024650670.db2.gz AWHSAAVBERRQFX-RLXIPRIJSA-N 0 1 309.369 3.840 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cccc(Cl)c2N)cc1[N+](=O)[O-] ZINC000877074117 1033228907 /nfs/dbraw/zinc/22/89/07/1033228907.db2.gz ZLVXTIDDIPPSSO-LLVKDONJSA-N 0 1 319.792 3.990 20 5 DHBDMN CC(=O)c1cc(NCc2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000342780201 1025061541 /nfs/dbraw/zinc/06/15/41/1025061541.db2.gz FIPQRXVGOCRUBG-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN Cc1nc(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)[nH]c1C ZINC000884707589 1025232594 /nfs/dbraw/zinc/23/25/94/1025232594.db2.gz RLXQRMHUNANJHR-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN CSC[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178566369 1025233820 /nfs/dbraw/zinc/23/38/20/1025233820.db2.gz VGXPXXOKZJEFCQ-GFCCVEGCSA-N 0 1 300.811 3.576 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1cnc(C)s1 ZINC000347365902 1026031082 /nfs/dbraw/zinc/03/10/82/1026031082.db2.gz MHNGKLNDYODTRB-GHXNOFRVSA-N 0 1 317.414 3.895 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CSCCc2ccccc21 ZINC000089512640 1026051963 /nfs/dbraw/zinc/05/19/63/1026051963.db2.gz BLXUISAWIDRPFQ-MRXNPFEDSA-N 0 1 314.410 3.715 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289652363 1026114229 /nfs/dbraw/zinc/11/42/29/1026114229.db2.gz TWFCIOPFHZVQDF-XYPHTWIQSA-N 0 1 316.401 3.689 20 5 DHBDMN CSc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC001131051812 1026120316 /nfs/dbraw/zinc/12/03/16/1026120316.db2.gz PROIJAZOLNFABF-UHFFFAOYSA-N 0 1 312.734 3.815 20 5 DHBDMN CC(C)c1nc([C@H]2CCCCN2c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000289763158 1026163157 /nfs/dbraw/zinc/16/31/57/1026163157.db2.gz QLLFXWSOGUVDBX-CQSZACIVSA-N 0 1 315.377 3.568 20 5 DHBDMN C[C@@H]1OCC[C@@]1(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987732 1026656254 /nfs/dbraw/zinc/65/62/54/1026656254.db2.gz KFDDYWPVMFZCKZ-ISVAXAHUSA-N 0 1 319.188 3.559 20 5 DHBDMN Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812193 1027091281 /nfs/dbraw/zinc/09/12/81/1027091281.db2.gz OFERYRMZHDYSHT-QWRGUYRKSA-N 0 1 309.797 3.594 20 5 DHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000362958714 1027467716 /nfs/dbraw/zinc/46/77/16/1027467716.db2.gz RUTTUTJQWSOZNS-GHMZBOCLSA-N 0 1 303.366 3.708 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ccncc3)C2)cc1F ZINC000296001363 1027515435 /nfs/dbraw/zinc/51/54/35/1027515435.db2.gz PUVGTIPZMGCORW-OAHLLOKOSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000296012036 1027516953 /nfs/dbraw/zinc/51/69/53/1027516953.db2.gz LSKMKMWXEYZBRJ-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN CCn1cc([C@@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061421 1027531926 /nfs/dbraw/zinc/53/19/26/1027531926.db2.gz VWZNLWYOLDSOBK-SJKOYZFVSA-N 0 1 314.389 3.539 20 5 DHBDMN C[C@H](NCc1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000576582453 1027636192 /nfs/dbraw/zinc/63/61/92/1027636192.db2.gz MLTARGRPGVUIPB-JTQLQIEISA-N 0 1 303.387 3.780 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(CC(F)(F)F)cc1 ZINC000601101175 1027984637 /nfs/dbraw/zinc/98/46/37/1027984637.db2.gz OMGYTIDGCRFYII-UHFFFAOYSA-N 0 1 324.302 3.989 20 5 DHBDMN COc1ccc2c(c1)CC[C@@H]2N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272510 1028053465 /nfs/dbraw/zinc/05/34/65/1028053465.db2.gz GGQNFXYTGGXPMG-PXAZEXFGSA-N 0 1 312.369 3.942 20 5 DHBDMN C[C@H](NCc1cccc2c1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000601304707 1028072425 /nfs/dbraw/zinc/07/24/25/1028072425.db2.gz QWKCXRSMHZHOBY-ZDUSSCGKSA-N 0 1 312.369 3.518 20 5 DHBDMN C[C@@H](CN1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000578285700 1028109775 /nfs/dbraw/zinc/10/97/75/1028109775.db2.gz ROZJEHWLGMWOOQ-AWEZNQCLSA-N 0 1 312.369 3.593 20 5 DHBDMN C[C@@H]1N(Cc2cc([N+](=O)[O-])ccc2Cl)CCC12CCOCC2 ZINC000368832567 1028413946 /nfs/dbraw/zinc/41/39/46/1028413946.db2.gz FQCIBVOVQQVLDG-LBPRGKRZSA-N 0 1 324.808 3.639 20 5 DHBDMN Cc1c(CN(C)[C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000369035331 1028436256 /nfs/dbraw/zinc/43/62/56/1028436256.db2.gz LOHWGBYLIZLBLS-KRWDZBQOSA-N 0 1 311.385 3.808 20 5 DHBDMN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)C1 ZINC000565425268 1028586146 /nfs/dbraw/zinc/58/61/46/1028586146.db2.gz DDINIMYSXUCEIS-NSHDSACASA-N 0 1 303.362 3.604 20 5 DHBDMN CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449504823 1028725430 /nfs/dbraw/zinc/72/54/30/1028725430.db2.gz WFAOSLZAKIBFGA-KRWDZBQOSA-N 0 1 320.433 3.965 20 5 DHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000486056177 1029493891 /nfs/dbraw/zinc/49/38/91/1029493891.db2.gz DXZMFJHMEHMDPI-UHFFFAOYSA-N 0 1 317.688 3.671 20 5 DHBDMN Cc1cnc([C@@H](C)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545912 1029906220 /nfs/dbraw/zinc/90/62/20/1029906220.db2.gz HVDKQKGEEXJSRT-UKRRQHHQSA-N 0 1 315.373 3.832 20 5 DHBDMN CCOc1cc(F)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000865580843 1029925091 /nfs/dbraw/zinc/92/50/91/1029925091.db2.gz FTLFQFGPUWLHPP-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN CC[C@H](C)n1ncc(Nc2nc3sccn3c2[N+](=O)[O-])c1C ZINC000357640646 1030135748 /nfs/dbraw/zinc/13/57/48/1030135748.db2.gz WLUHWYYYCRXSEB-QMMMGPOBSA-N 0 1 320.378 3.524 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cnn1C(C)C ZINC000866541320 1030362435 /nfs/dbraw/zinc/36/24/35/1030362435.db2.gz YFCZRSOWVUFHML-CYBMUJFWSA-N 0 1 316.405 3.840 20 5 DHBDMN COc1ccc([C@@H](NCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000191900820 1030866951 /nfs/dbraw/zinc/86/69/51/1030866951.db2.gz ADIAUNNRJZMLKH-SFHVURJKSA-N 0 1 312.369 3.844 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000926797294 1030933644 /nfs/dbraw/zinc/93/36/44/1030933644.db2.gz SDGZSKBTIGCNOF-CYBMUJFWSA-N 0 1 314.389 3.676 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000926890862 1030969843 /nfs/dbraw/zinc/96/98/43/1030969843.db2.gz GEJBGLPZPOZUNK-NEPJUHHUSA-N 0 1 314.341 3.735 20 5 DHBDMN Cc1c(CNCc2cnc(CC(C)C)s2)cccc1[N+](=O)[O-] ZINC000359806522 1031145597 /nfs/dbraw/zinc/14/55/97/1031145597.db2.gz VUNWVEFNIPNQAJ-UHFFFAOYSA-N 0 1 319.430 3.848 20 5 DHBDMN Cc1cc(NC[C@@H](c2ccsc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000359838198 1031159372 /nfs/dbraw/zinc/15/93/72/1031159372.db2.gz IXGSZOCFGLKWSG-HNNXBMFYSA-N 0 1 323.393 3.819 20 5 DHBDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000777701850 1031358600 /nfs/dbraw/zinc/35/86/00/1031358600.db2.gz QHPPLAAUBXRLLL-GFCCVEGCSA-N 0 1 317.364 3.969 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccnc1 ZINC000872016721 1031397110 /nfs/dbraw/zinc/39/71/10/1031397110.db2.gz NWQUKTHTCYKZJE-NSHDSACASA-N 0 1 303.387 3.563 20 5 DHBDMN Cc1noc(C)c1C[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038673 1031421737 /nfs/dbraw/zinc/42/17/37/1031421737.db2.gz ORXZWRBDZCGDNC-GXSJLCMTSA-N 0 1 321.352 3.621 20 5 DHBDMN C[C@H](NC[C@@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075226 1031472681 /nfs/dbraw/zinc/47/26/81/1031472681.db2.gz AQAABASSJPOXFJ-UWVGGRQHSA-N 0 1 302.296 3.820 20 5 DHBDMN C[C@H](N[C@@H](C1CC1)[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083088 1031478591 /nfs/dbraw/zinc/47/85/91/1031478591.db2.gz GXDJLZSVFQJMFV-KCTSRDHCSA-N 0 1 322.380 3.732 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872278117 1031572365 /nfs/dbraw/zinc/57/23/65/1031572365.db2.gz GYIRMDNQMFRHMN-CQSZACIVSA-N 0 1 322.380 3.658 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872282454 1031576595 /nfs/dbraw/zinc/57/65/95/1031576595.db2.gz KWGBRLDKVKDYFE-MRXNPFEDSA-N 0 1 322.380 3.658 20 5 DHBDMN Cc1nc(C)c(CNCc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC000873062293 1031702033 /nfs/dbraw/zinc/70/20/33/1031702033.db2.gz ORMNRQKRFMOWRM-UHFFFAOYSA-N 0 1 305.403 3.575 20 5 DHBDMN C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)O1 ZINC000877681273 1033410335 /nfs/dbraw/zinc/41/03/35/1033410335.db2.gz FVLFXVPPGGUZQL-LWINAJNOSA-N 0 1 319.188 3.557 20 5 DHBDMN COc1cccc(C)c1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000877729886 1033422930 /nfs/dbraw/zinc/42/29/30/1033422930.db2.gz DXJAFIKMPOBEJM-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC2(CCCCC2)C1 ZINC001173231381 1033605289 /nfs/dbraw/zinc/60/52/89/1033605289.db2.gz BYJCYMIIEDHRPR-HNNXBMFYSA-N 0 1 318.417 3.561 20 5 DHBDMN CC(C)c1ccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000773369204 1033650823 /nfs/dbraw/zinc/65/08/23/1033650823.db2.gz CBCCEIVWMDSVPC-UHFFFAOYSA-N 0 1 314.341 3.700 20 5 DHBDMN CN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)(C)C ZINC000878768258 1033824578 /nfs/dbraw/zinc/82/45/78/1033824578.db2.gz DCAQZVMIHIJJHD-UHFFFAOYSA-N 0 1 324.768 3.529 20 5 DHBDMN Cc1c(CNCc2cnc(-c3ccccc3)[nH]2)cccc1[N+](=O)[O-] ZINC000480473984 1034266605 /nfs/dbraw/zinc/26/66/05/1034266605.db2.gz BIHXOOJGYJAHHG-UHFFFAOYSA-N 0 1 322.368 3.583 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nccs3)C2)c(Cl)c1 ZINC000880320470 1034296126 /nfs/dbraw/zinc/29/61/26/1034296126.db2.gz TUXYVZXFICFQJJ-NSHDSACASA-N 0 1 323.805 3.694 20 5 DHBDMN CCOc1cccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339068630 1034347166 /nfs/dbraw/zinc/34/71/66/1034347166.db2.gz LNZCGBHRJDKGRP-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN CCC(CC)CCCN(C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001174949145 1034702294 /nfs/dbraw/zinc/70/22/94/1034702294.db2.gz UAKJIGJGRPUFAE-UHFFFAOYSA-N 0 1 321.421 3.682 20 5 DHBDMN CCC[C@@H](N[C@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852033 1034709921 /nfs/dbraw/zinc/70/99/21/1034709921.db2.gz OPMRAISCXKUBPN-SJKOYZFVSA-N 0 1 316.405 3.829 20 5 DHBDMN C/C(=C\c1ccccc1)C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461305 1034719974 /nfs/dbraw/zinc/71/99/74/1034719974.db2.gz AKKQPHPLTLXZLV-GXDHUFHOSA-N 0 1 312.369 3.836 20 5 DHBDMN C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461305 1034719982 /nfs/dbraw/zinc/71/99/82/1034719982.db2.gz AKKQPHPLTLXZLV-GXDHUFHOSA-N 0 1 312.369 3.836 20 5 DHBDMN CC(C)(C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000483242730 1035244144 /nfs/dbraw/zinc/24/41/44/1035244144.db2.gz CFWRHEAMLCUVPJ-GFCCVEGCSA-N 0 1 316.405 3.729 20 5 DHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(C3CCCCCC3)no2)c1 ZINC000904686495 1035441128 /nfs/dbraw/zinc/44/11/28/1035441128.db2.gz XGIMLEBYAKQRJP-UHFFFAOYSA-N 0 1 303.318 3.788 20 5 DHBDMN CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001193117514 1035568674 /nfs/dbraw/zinc/56/86/74/1035568674.db2.gz OVKCCFLUGLNFNH-MRXNPFEDSA-N 0 1 312.369 3.637 20 5 DHBDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001193117514 1035568682 /nfs/dbraw/zinc/56/86/82/1035568682.db2.gz OVKCCFLUGLNFNH-MRXNPFEDSA-N 0 1 312.369 3.637 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000494705576 1035772166 /nfs/dbraw/zinc/77/21/66/1035772166.db2.gz XKWCTTWERMYXRU-CXAGYDPISA-N 0 1 304.390 3.547 20 5 DHBDMN COc1ccc(CNCc2cc(F)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000485697999 1035888717 /nfs/dbraw/zinc/88/87/17/1035888717.db2.gz UKQPBCUSLSFNOT-UHFFFAOYSA-N 0 1 324.739 3.686 20 5 DHBDMN CC(C)CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000914566602 1036118676 /nfs/dbraw/zinc/11/86/76/1036118676.db2.gz DDNPUYIWQSSDGX-UHFFFAOYSA-N 0 1 321.402 3.950 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(C/C=C/c2ccncc2)C2CC2)c1 ZINC000495067466 1036212029 /nfs/dbraw/zinc/21/20/29/1036212029.db2.gz OESUPFANTKUNPG-DUXPYHPUSA-N 0 1 309.369 3.668 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(C/C=C\c2ccncc2)C2CC2)cc1 ZINC000495062299 1036215261 /nfs/dbraw/zinc/21/52/61/1036215261.db2.gz FBNRNEUZFSJRIR-UPHRSURJSA-N 0 1 309.369 3.668 20 5 DHBDMN CC(C)(C)C1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774871262 1037130897 /nfs/dbraw/zinc/13/08/97/1037130897.db2.gz XOVDTKNSQNPXKE-UHFFFAOYSA-N 0 1 321.377 3.761 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000193903064 1037307729 /nfs/dbraw/zinc/30/77/29/1037307729.db2.gz IAWIKFPDNVXOPF-RYUDHWBXSA-N 0 1 315.329 3.915 20 5 DHBDMN CN(C)c1ccccc1CNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761531126 1037348065 /nfs/dbraw/zinc/34/80/65/1037348065.db2.gz ABRBYCNFQGTKAI-UHFFFAOYSA-N 0 1 319.792 3.604 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000609234550 1037462293 /nfs/dbraw/zinc/46/22/93/1037462293.db2.gz URXXKOBTEJKUKB-SFHVURJKSA-N 0 1 312.369 3.558 20 5 DHBDMN C[C@H](CF)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000588930246 1038406623 /nfs/dbraw/zinc/40/66/23/1038406623.db2.gz BNKMWZHYHCVPMH-LLVKDONJSA-N 0 1 322.311 3.974 20 5 DHBDMN CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191038339 1038423536 /nfs/dbraw/zinc/42/35/36/1038423536.db2.gz IVBBAYUHARNUIR-KRWDZBQOSA-N 0 1 312.369 3.810 20 5 DHBDMN CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191038339 1038423543 /nfs/dbraw/zinc/42/35/43/1038423543.db2.gz IVBBAYUHARNUIR-KRWDZBQOSA-N 0 1 312.369 3.810 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CC2)s1 ZINC000589184925 1038445303 /nfs/dbraw/zinc/44/53/03/1038445303.db2.gz AYEDQBMKBXKAIL-UHFFFAOYSA-N 0 1 317.414 3.603 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1c1ccncc1 ZINC000589192461 1038448015 /nfs/dbraw/zinc/44/80/15/1038448015.db2.gz CAXXHQPQAZVGGY-GPCFVJJQSA-N 0 1 309.369 3.840 20 5 DHBDMN COc1ccc(C(C)(C)NCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000598996099 1038984513 /nfs/dbraw/zinc/98/45/13/1038984513.db2.gz BYGVOAVHFSOQHS-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC2(CC2(F)F)CC1 ZINC000593673950 1039033840 /nfs/dbraw/zinc/03/38/40/1039033840.db2.gz NKKKGEOQHJLTGE-HYXAFXHYSA-N 0 1 308.328 3.729 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC2(CC2(F)F)CC1 ZINC000593673947 1039035025 /nfs/dbraw/zinc/03/50/25/1039035025.db2.gz NKKKGEOQHJLTGE-HWKANZROSA-N 0 1 308.328 3.729 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccccc2Cl)CC1 ZINC000592137145 1039141602 /nfs/dbraw/zinc/14/16/02/1039141602.db2.gz DVTXSELPOKYHKL-UHFFFAOYSA-N 0 1 318.760 3.733 20 5 DHBDMN COC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502870 1039804007 /nfs/dbraw/zinc/80/40/07/1039804007.db2.gz RVJTZKRYJBXZJD-SJORKVTESA-N 0 1 312.369 3.559 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000168201139 1039807549 /nfs/dbraw/zinc/80/75/49/1039807549.db2.gz KRNBRSLHOXWLMQ-WDEREUQCSA-N 0 1 303.362 3.920 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201998 1039834037 /nfs/dbraw/zinc/83/40/37/1039834037.db2.gz UGYHMDUEBNWQJN-WDEREUQCSA-N 0 1 303.362 3.920 20 5 DHBDMN CC[C@@H](COCC1CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000594955774 1039962447 /nfs/dbraw/zinc/96/24/47/1039962447.db2.gz DOOHHFMAKXTERK-ZDUSSCGKSA-N 0 1 312.797 3.543 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccccc1C ZINC000595004032 1040014692 /nfs/dbraw/zinc/01/46/92/1040014692.db2.gz MOXNIFFPXQOQTH-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029391 1040037410 /nfs/dbraw/zinc/03/74/10/1040037410.db2.gz XZSSURQOCFAMKB-MLGOLLRUSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)[C@H](C)O ZINC000595104719 1040066436 /nfs/dbraw/zinc/06/64/36/1040066436.db2.gz SJCCDVDWJGEIBG-SUNYJGFJSA-N 0 1 314.385 3.676 20 5 DHBDMN CC[C@H](N[C@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102475 1040067735 /nfs/dbraw/zinc/06/77/35/1040067735.db2.gz INKCWYHGIWPJKC-BVGQSLNGSA-N 0 1 314.385 3.758 20 5 DHBDMN Cc1noc(CN2CCC[C@@H]2c2cccc(C)c2C)c1[N+](=O)[O-] ZINC000595327690 1040100466 /nfs/dbraw/zinc/10/04/66/1040100466.db2.gz QLAKABYTJFVNND-OAHLLOKOSA-N 0 1 315.373 3.845 20 5 DHBDMN Cc1noc(CN2CCC[C@@H]2c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000595348923 1040105762 /nfs/dbraw/zinc/10/57/62/1040105762.db2.gz WMZCJRUHFLCPSJ-OAHLLOKOSA-N 0 1 315.373 3.845 20 5 DHBDMN CCC(C)(C)[C@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595638871 1040198817 /nfs/dbraw/zinc/19/88/17/1040198817.db2.gz MYLSILLXCXTHNE-NSHDSACASA-N 0 1 318.377 3.559 20 5 DHBDMN CCC(C)(C)[C@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595641244 1040211941 /nfs/dbraw/zinc/21/19/41/1040211941.db2.gz GEZBDYDGXLIWDH-NSHDSACASA-N 0 1 318.377 3.559 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC2(CCCC2=O)CC1 ZINC000595820310 1040248092 /nfs/dbraw/zinc/24/80/92/1040248092.db2.gz VBDIUVDOWRMAFV-CQSZACIVSA-N 0 1 316.401 3.799 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000595830128 1040267017 /nfs/dbraw/zinc/26/70/17/1040267017.db2.gz BAACLPXHTLUFST-KBXCAEBGSA-N 0 1 312.369 3.809 20 5 DHBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)n[nH]1 ZINC000761223572 1040799580 /nfs/dbraw/zinc/79/95/80/1040799580.db2.gz INZWJJCSPBCXPE-UHFFFAOYSA-N 0 1 323.356 3.554 20 5 DHBDMN C[C@@H](Cc1ccsc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519213 1041066384 /nfs/dbraw/zinc/06/63/84/1041066384.db2.gz VJIWHPHYRSHFDR-JTQLQIEISA-N 0 1 317.370 3.518 20 5 DHBDMN CC(C)(C)OCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602527104 1041089375 /nfs/dbraw/zinc/08/93/75/1041089375.db2.gz YMNVBMQSRIBIEL-UHFFFAOYSA-N 0 1 320.311 3.518 20 5 DHBDMN Cc1ccc(CN2CCC(OCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000092223092 193176619 /nfs/dbraw/zinc/17/66/19/193176619.db2.gz RDTBAJXZZDWXRF-UHFFFAOYSA-N 0 1 306.406 3.540 20 5 DHBDMN CCC[C@@H](NCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000040997571 183155180 /nfs/dbraw/zinc/15/51/80/183155180.db2.gz LKFDKIQAGBMBOR-OAHLLOKOSA-N 0 1 305.403 3.991 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCC3(CCOCC3)CC2)ccc1Cl ZINC000284924277 131122123 /nfs/dbraw/zinc/12/21/23/131122123.db2.gz XWZOAEZUPJWDFN-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CCn1cc([C@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061417 131938493 /nfs/dbraw/zinc/93/84/93/131938493.db2.gz VWZNLWYOLDSOBK-SJCJKPOMSA-N 0 1 314.389 3.539 20 5 DHBDMN CCC[C@H](N[C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163894731 132126082 /nfs/dbraw/zinc/12/60/82/132126082.db2.gz OXIRFKVUYYGCJG-LRDDRELGSA-N 0 1 302.378 3.520 20 5 DHBDMN CC(C)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000427907001 332560565 /nfs/dbraw/zinc/56/05/65/332560565.db2.gz JRODCCLVBFPADD-UHFFFAOYSA-N 0 1 300.314 3.676 20 5 DHBDMN CCC[C@@H](NCc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000124525598 333494754 /nfs/dbraw/zinc/49/47/54/333494754.db2.gz QTMAVBFCVXDSQY-MRXNPFEDSA-N 0 1 315.373 3.629 20 5 DHBDMN CC1=C[C@@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000430265067 334042041 /nfs/dbraw/zinc/04/20/41/334042041.db2.gz UGUQMDUBHDPBAI-GFCCVEGCSA-N 0 1 313.357 3.648 20 5 DHBDMN C[C@@H](NC1(c2cccc(F)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327901 334146881 /nfs/dbraw/zinc/14/68/81/334146881.db2.gz UDNUTXRZFVEYDV-LLVKDONJSA-N 0 1 315.348 3.656 20 5 DHBDMN CCn1nc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000531964909 334319402 /nfs/dbraw/zinc/31/94/02/334319402.db2.gz JCLRPRBHIIAHPN-GFCCVEGCSA-N 0 1 316.405 3.587 20 5 DHBDMN CC[C@@H](NCc1cn(C(C)C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000341408453 334437158 /nfs/dbraw/zinc/43/71/58/334437158.db2.gz SFHGJROJUXHSKN-QGZVFWFLSA-N 0 1 316.405 3.922 20 5 DHBDMN CC[C@H](N[C@@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769111 334871952 /nfs/dbraw/zinc/87/19/52/334871952.db2.gz WOGWSSIFOGGNLC-LRDDRELGSA-N 0 1 315.373 3.800 20 5 DHBDMN CO[C@H](c1ccccc1F)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000345690024 335342031 /nfs/dbraw/zinc/34/20/31/335342031.db2.gz GJGJPJMWSYFEQB-BMIGLBTASA-N 0 1 324.377 3.661 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000192466069 336035015 /nfs/dbraw/zinc/03/50/15/336035015.db2.gz WRYZQVQFKPTPHW-RYUDHWBXSA-N 0 1 314.341 3.735 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2ccccc2)C1 ZINC000103471349 336240969 /nfs/dbraw/zinc/24/09/69/336240969.db2.gz DJSXPVPCIMUJLE-CQSZACIVSA-N 0 1 300.333 3.723 20 5 DHBDMN Cc1cc(N(C)Cc2ccc(O)cc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302674032 336364366 /nfs/dbraw/zinc/36/43/66/336364366.db2.gz SUTYYCDJGGYEQB-UHFFFAOYSA-N 0 1 323.352 3.793 20 5 DHBDMN Cc1c(CN[C@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000358317915 336623797 /nfs/dbraw/zinc/62/37/97/336623797.db2.gz BAAMTDJLROVOGJ-INIZCTEOSA-N 0 1 312.369 3.907 20 5 DHBDMN CCCCOC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362456430 336798332 /nfs/dbraw/zinc/79/83/32/336798332.db2.gz VRWAAXLNEKSDAZ-CQSZACIVSA-N 0 1 306.406 3.937 20 5 DHBDMN Cc1c2ccccc2n(C)c1CNCc1csc([N+](=O)[O-])c1 ZINC000355127920 337027012 /nfs/dbraw/zinc/02/70/12/337027012.db2.gz TYMJAOMBYMGXSG-UHFFFAOYSA-N 0 1 315.398 3.746 20 5 DHBDMN C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178641169 337165736 /nfs/dbraw/zinc/16/57/36/337165736.db2.gz WJMRARNADQUZTO-CQSZACIVSA-N 0 1 322.368 3.631 20 5 DHBDMN COc1ccc(CNCc2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000191684597 337300424 /nfs/dbraw/zinc/30/04/24/337300424.db2.gz OWSAPEIASOXHTF-UHFFFAOYSA-N 0 1 312.369 3.771 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000421003615 337518756 /nfs/dbraw/zinc/51/87/56/337518756.db2.gz ZCRNDRDWGMJDBD-CQSZACIVSA-N 0 1 322.311 3.787 20 5 DHBDMN Cc1cncc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302550 338190472 /nfs/dbraw/zinc/19/04/72/338190472.db2.gz JCOATOPYVLYVTR-KRWDZBQOSA-N 0 1 311.385 3.810 20 5 DHBDMN CC(C)N(C)c1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000438325733 338339710 /nfs/dbraw/zinc/33/97/10/338339710.db2.gz JEJFRLXGNUNEQF-UHFFFAOYSA-N 0 1 313.401 3.729 20 5 DHBDMN COc1cc(CN2CCCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000438353673 338340820 /nfs/dbraw/zinc/34/08/20/338340820.db2.gz KITADUUFEGGLMX-UHFFFAOYSA-N 0 1 322.405 3.624 20 5 DHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)c1c(F)cncc1F ZINC000449319160 338612346 /nfs/dbraw/zinc/61/23/46/338612346.db2.gz JAUVHIIIHKYEAO-GHMZBOCLSA-N 0 1 321.327 3.550 20 5 DHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000453107761 338794607 /nfs/dbraw/zinc/79/46/07/338794607.db2.gz LWMDKGGLSZNRDZ-CQSZACIVSA-N 0 1 306.387 3.906 20 5 DHBDMN Cc1cc(N[C@H]2CCCSC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000167386372 339053556 /nfs/dbraw/zinc/05/35/56/339053556.db2.gz XQVDQYKNDAVPLS-NSHDSACASA-N 0 1 303.387 3.759 20 5 DHBDMN COc1cc(CN2CCC3(CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000464676135 339148512 /nfs/dbraw/zinc/14/85/12/339148512.db2.gz FGRDGTAZXTVFMO-UHFFFAOYSA-N 0 1 322.380 3.899 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC2(c3ccccc3)CCC2)c(F)c1 ZINC000479918636 339553350 /nfs/dbraw/zinc/55/33/50/339553350.db2.gz CQVFEHABUDFODZ-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1N(C)C ZINC000506727325 340200194 /nfs/dbraw/zinc/20/01/94/340200194.db2.gz BBXGEYULVYPTES-AWEZNQCLSA-N 0 1 313.401 3.854 20 5 DHBDMN Cc1ccc(CNc2nccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000508451373 340243950 /nfs/dbraw/zinc/24/39/50/340243950.db2.gz JUPRIHPMCFVOFZ-UHFFFAOYSA-N 0 1 322.368 3.760 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1F ZINC000511124024 340321508 /nfs/dbraw/zinc/32/15/08/340321508.db2.gz KDTZHVYTICYOCH-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN COc1cccc2c1CC[C@H]2N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539299620 340879943 /nfs/dbraw/zinc/87/99/43/340879943.db2.gz RCIFYEGMCABWLR-BLLLJJGKSA-N 0 1 312.369 3.942 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000577070489 341883486 /nfs/dbraw/zinc/88/34/86/341883486.db2.gz PGRXDKBUEMVKHI-ZDUSSCGKSA-N 0 1 311.385 3.638 20 5 DHBDMN COc1ccc(CNC(C)(C)c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000124678930 524068984 /nfs/dbraw/zinc/06/89/84/524068984.db2.gz SSLVTRCUMIPWBQ-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN C[C@@H](NCc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337187782 525552300 /nfs/dbraw/zinc/55/23/00/525552300.db2.gz QJTXXGLJTVSNMG-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN COc1ccc(C2(N[C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000517757187 1013058737 /nfs/dbraw/zinc/05/87/37/1013058737.db2.gz OJAUYLWNWZEIRT-KRWDZBQOSA-N 0 1 324.380 3.870 20 5 DHBDMN COc1ccc(C(C)=O)c(Nc2ccc(O)c([N+](=O)[O-])c2)c1C ZINC001210400820 1013833455 /nfs/dbraw/zinc/83/34/55/1013833455.db2.gz MIOGQARRLGXQPE-UHFFFAOYSA-N 0 1 316.313 3.564 20 5 DHBDMN COc1cc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527816 1013918403 /nfs/dbraw/zinc/91/84/03/1013918403.db2.gz XZJZEQYYFJXMIF-STQMWFEESA-N 0 1 315.373 3.719 20 5 DHBDMN CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740421 974985223 /nfs/dbraw/zinc/98/52/23/974985223.db2.gz XTUZQCDEDNFJGX-HNNXBMFYSA-N 0 1 320.389 3.694 20 5 DHBDMN COc1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676008 1015093603 /nfs/dbraw/zinc/09/36/03/1015093603.db2.gz BTXTWXDTDPNHOY-OLZOCXBDSA-N 0 1 315.373 3.719 20 5 DHBDMN COc1ccc(C)cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610538816 1015345174 /nfs/dbraw/zinc/34/51/74/1015345174.db2.gz YUORNCHELKUCNO-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1c([C@H]2CCCN2[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336645 1015419292 /nfs/dbraw/zinc/41/92/92/1015419292.db2.gz WKFCDNREJGLJBM-SJKOYZFVSA-N 0 1 314.389 3.535 20 5 DHBDMN Cc1c([C@H](C)NCc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000178247905 1015512730 /nfs/dbraw/zinc/51/27/30/1015512730.db2.gz GJNRQDPXOIJJOQ-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN C[C@H](c1ccccc1)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580877 1015629316 /nfs/dbraw/zinc/62/93/16/1015629316.db2.gz SGITVHRMFHEWHL-GFCCVEGCSA-N 0 1 311.341 3.929 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccncc3)C2)ccc1Cl ZINC000846908853 1032144160 /nfs/dbraw/zinc/14/41/60/1032144160.db2.gz WTTCGMXLSWSTNJ-AWEZNQCLSA-N 0 1 317.776 3.633 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513429 1032146958 /nfs/dbraw/zinc/14/69/58/1032146958.db2.gz ZQQKZHXNJBDMKO-KRWDZBQOSA-N 0 1 312.369 3.907 20 5 DHBDMN COc1cc2c(cc1F)CC[C@H]2NCc1ccccc1[N+](=O)[O-] ZINC000281158363 1016387402 /nfs/dbraw/zinc/38/74/02/1016387402.db2.gz BIBGEKSUQDQKFG-OAHLLOKOSA-N 0 1 316.332 3.520 20 5 DHBDMN Cc1cccc2nc(CNc3c(F)cccc3[N+](=O)[O-])[nH]c21 ZINC000342510650 1016630407 /nfs/dbraw/zinc/63/04/07/1016630407.db2.gz VETLMYPFHHQMRH-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN C[C@@H](c1c(F)cccc1F)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338926818 1016767270 /nfs/dbraw/zinc/76/72/70/1016767270.db2.gz WRZLHBIZKROUPP-JTQLQIEISA-N 0 1 322.311 3.772 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)Cc1cccc(O)c1 ZINC000537606526 1032216762 /nfs/dbraw/zinc/21/67/62/1032216762.db2.gz OXXNGRIUFCDKDQ-ZDUSSCGKSA-N 0 1 300.358 3.802 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](Cc2ccccc2)C1 ZINC000610214985 1012423094 /nfs/dbraw/zinc/42/30/94/1012423094.db2.gz GXEVZIVCHWFJOQ-OAHLLOKOSA-N 0 1 314.360 3.799 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1COCc2ccccc21 ZINC000515221756 1012582343 /nfs/dbraw/zinc/58/23/43/1012582343.db2.gz OSSQGYPWDXYMMB-SCLBCKFNSA-N 0 1 312.369 3.825 20 5 DHBDMN CC(C)Oc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000178645699 1017374815 /nfs/dbraw/zinc/37/48/15/1017374815.db2.gz LBQRTJZEYBCFGI-CYBMUJFWSA-N 0 1 315.373 3.628 20 5 DHBDMN Cc1c(C(=O)Nc2cccc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000172110963 1018013365 /nfs/dbraw/zinc/01/33/65/1018013365.db2.gz VAJGJWFOYLAVDS-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN C[C@]1(c2ccccc2)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446724412 1018229040 /nfs/dbraw/zinc/22/90/40/1018229040.db2.gz ZYJOZWNTQXFJNV-SFHVURJKSA-N 0 1 314.360 3.898 20 5 DHBDMN CCCc1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446848545 1018266868 /nfs/dbraw/zinc/26/68/68/1018266868.db2.gz IGSPIZWFFACVQZ-UHFFFAOYSA-N 0 1 324.384 3.713 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(C)c1 ZINC000173979565 1018373899 /nfs/dbraw/zinc/37/38/99/1018373899.db2.gz SKLPIECFBDIFIW-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CCC[C@@]1(COC)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000447384594 1018382976 /nfs/dbraw/zinc/38/29/76/1018382976.db2.gz MTVKUALTZMREIY-INIZCTEOSA-N 0 1 310.369 3.515 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CCO)c1cccs1 ZINC000766136672 1018478300 /nfs/dbraw/zinc/47/83/00/1018478300.db2.gz QGQABDKFDZCXOH-WFASDCNBSA-N 0 1 320.414 3.739 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000278323928 1018568086 /nfs/dbraw/zinc/56/80/86/1018568086.db2.gz FFUJKCNURADDPX-NSHDSACASA-N 0 1 303.337 3.597 20 5 DHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)s1 ZINC000572987746 1018610656 /nfs/dbraw/zinc/61/06/56/1018610656.db2.gz FBJOKJMRACNRBO-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN Cc1cc(C)c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(C)c1 ZINC000278560115 1018826013 /nfs/dbraw/zinc/82/60/13/1018826013.db2.gz ASYMNRWQWBMGEE-UHFFFAOYSA-N 0 1 324.384 3.686 20 5 DHBDMN CCc1onc(C)c1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922982536 1018957883 /nfs/dbraw/zinc/95/78/83/1018957883.db2.gz DYCOVRNLIJMTNY-WQLSENKSSA-N 0 1 315.373 3.647 20 5 DHBDMN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968035 1019232624 /nfs/dbraw/zinc/23/26/24/1019232624.db2.gz VZQPBLZYPLECRF-OLZOCXBDSA-N 0 1 312.369 3.769 20 5 DHBDMN CC(C)c1ccc(CN(C)CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000611274761 1019430442 /nfs/dbraw/zinc/43/04/42/1019430442.db2.gz XBXQONBAVJEMCB-UHFFFAOYSA-N 0 1 308.422 3.965 20 5 DHBDMN CC1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000158844432 1019440611 /nfs/dbraw/zinc/44/06/11/1019440611.db2.gz GZUMBWFXMMBYQT-UHFFFAOYSA-N 0 1 317.414 3.950 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000611480896 1019500672 /nfs/dbraw/zinc/50/06/72/1019500672.db2.gz QQMBUASASLHEEG-CYBMUJFWSA-N 0 1 323.356 3.657 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CSc1nc(C2CC2)n[nH]1 ZINC000115965316 1019805192 /nfs/dbraw/zinc/80/51/92/1019805192.db2.gz CXIUCHAADXEQHM-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CSc1n[nH]c(C2CC2)n1 ZINC000115965316 1019805209 /nfs/dbraw/zinc/80/52/09/1019805209.db2.gz CXIUCHAADXEQHM-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN Cc1cc(N2CC[C@H](C)[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931005 1019881126 /nfs/dbraw/zinc/88/11/26/1019881126.db2.gz FPWNLYBBWMBJBS-HZMBPMFUSA-N 0 1 303.337 3.636 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@H]1c1ccccn1 ZINC000534331858 1020033951 /nfs/dbraw/zinc/03/39/51/1020033951.db2.gz AZGVTRZSXPUFEC-GNJLHFKMSA-N 0 1 309.369 3.840 20 5 DHBDMN C[C@@H](NCc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000922538321 1020117746 /nfs/dbraw/zinc/11/77/46/1020117746.db2.gz PLIPZVLPEULRET-SNVBAGLBSA-N 0 1 303.387 3.780 20 5 DHBDMN Cc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000093315550 1020147529 /nfs/dbraw/zinc/14/75/29/1020147529.db2.gz CJVGCFNVSYNNAX-CYBMUJFWSA-N 0 1 300.358 3.802 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000155077690 1020187535 /nfs/dbraw/zinc/18/75/35/1020187535.db2.gz SYHLQFOIDYNBGW-KRWDZBQOSA-N 0 1 311.385 3.671 20 5 DHBDMN CC[C@@H](C)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179322590 1020251504 /nfs/dbraw/zinc/25/15/04/1020251504.db2.gz DHHFQIOPUBKELL-LLVKDONJSA-N 0 1 305.403 3.949 20 5 DHBDMN COc1ccc(C)cc1[C@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000282640835 1020478139 /nfs/dbraw/zinc/47/81/39/1020478139.db2.gz BPFBMBDRSUULPV-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CCS[C@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303498786 1020493252 /nfs/dbraw/zinc/49/32/52/1020493252.db2.gz XXIOMAARIXKLIY-HNNXBMFYSA-N 0 1 324.446 3.711 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@H]3C2)c1 ZINC000579960100 1020794170 /nfs/dbraw/zinc/79/41/70/1020794170.db2.gz TYPGNGDWTOHCLQ-QWRGUYRKSA-N 0 1 314.307 3.846 20 5 DHBDMN C[C@H](O)c1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892671843 1021269110 /nfs/dbraw/zinc/26/91/10/1021269110.db2.gz DUIUCXWOOBAJLI-NSHDSACASA-N 0 1 320.776 3.591 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c2cc(F)cc3F)cc1 ZINC000154615965 1021422828 /nfs/dbraw/zinc/42/28/28/1021422828.db2.gz AUJHEOUAAUGCTL-MRXNPFEDSA-N 0 1 304.296 3.650 20 5 DHBDMN COc1ccc(C2(NCc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000538159654 1032996886 /nfs/dbraw/zinc/99/68/86/1032996886.db2.gz UOBWMFHSOFEWEF-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCCC2)c1 ZINC000337453375 1033006490 /nfs/dbraw/zinc/00/64/90/1033006490.db2.gz INQCOGMLIPXXOQ-ZDUSSCGKSA-N 0 1 314.389 3.757 20 5 DHBDMN CC(C)(NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000851838652 1022015255 /nfs/dbraw/zinc/01/52/55/1022015255.db2.gz NCEJSVAYASMWCF-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN CC1(C)CCC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC001168847666 1022161697 /nfs/dbraw/zinc/16/16/97/1022161697.db2.gz FVFBEODMOOFGQT-QGZVFWFLSA-N 0 1 318.417 3.907 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1Nc1cnn(-c2ccncc2)c1 ZINC000615942297 1022597524 /nfs/dbraw/zinc/59/75/24/1022597524.db2.gz ZJCKRNFMXWIXBH-UHFFFAOYSA-N 0 1 315.720 3.573 20 5 DHBDMN COc1cc(CN[C@@H](C)c2ccc(C)s2)c([N+](=O)[O-])cc1F ZINC000766894147 1022606302 /nfs/dbraw/zinc/60/63/02/1022606302.db2.gz PRPWNDZENCHDEE-JTQLQIEISA-N 0 1 324.377 3.963 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccc(C)cn1 ZINC000616152037 1022649930 /nfs/dbraw/zinc/64/99/30/1022649930.db2.gz CLSRULVGVQUUEZ-OQLLNIDSSA-N 0 1 311.385 3.834 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C)cn1 ZINC000616152037 1022649939 /nfs/dbraw/zinc/64/99/39/1022649939.db2.gz CLSRULVGVQUUEZ-OQLLNIDSSA-N 0 1 311.385 3.834 20 5 DHBDMN Cc1ccc(C)c(CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000801551505 1022839468 /nfs/dbraw/zinc/83/94/68/1022839468.db2.gz MKZYTDAHPZUYQN-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCc3c1cccc3O)CCC2 ZINC000278849879 1023779073 /nfs/dbraw/zinc/77/90/73/1023779073.db2.gz VOEHEUNAQNIKHV-MSOLQXFVSA-N 0 1 324.380 3.955 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000268944984 1024201972 /nfs/dbraw/zinc/20/19/72/1024201972.db2.gz BAALADOJAMJIBP-WMLDXEAASA-N 0 1 314.385 3.678 20 5 DHBDMN COc1ccc(C[C@@H](C)N2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC001170329914 1024745980 /nfs/dbraw/zinc/74/59/80/1024745980.db2.gz WRSHVXMBVUFWAG-CYBMUJFWSA-N 0 1 312.369 3.550 20 5 DHBDMN CCC[C@@H](CC)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228862381 1024768806 /nfs/dbraw/zinc/76/88/06/1024768806.db2.gz NJVZHSHLRDGUMX-SSDOTTSWSA-N 0 1 308.256 3.672 20 5 DHBDMN CCCCCn1cc(CNCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000348352588 1025362996 /nfs/dbraw/zinc/36/29/96/1025362996.db2.gz RXPBTGISPSZFQH-UHFFFAOYSA-N 0 1 316.405 3.580 20 5 DHBDMN C[C@@H](CNCc1csc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000897469563 1025405611 /nfs/dbraw/zinc/40/56/11/1025405611.db2.gz MOEJLNXHLTZPEY-NSHDSACASA-N 0 1 317.414 3.822 20 5 DHBDMN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000886020646 1025443380 /nfs/dbraw/zinc/44/33/80/1025443380.db2.gz FIIZWAPMVLHYGW-RHSMWYFYSA-N 0 1 311.385 3.615 20 5 DHBDMN CC1(c2ccccc2)CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886082913 1025468105 /nfs/dbraw/zinc/46/81/05/1025468105.db2.gz CCGXFITXBJETAX-UHFFFAOYSA-N 0 1 311.385 3.544 20 5 DHBDMN O=[N+]([O-])c1cc(CSc2nc(-c3ccccc3)n[nH]2)cs1 ZINC000047172005 1025892231 /nfs/dbraw/zinc/89/22/31/1025892231.db2.gz AOTGLZZSBINTRB-UHFFFAOYSA-N 0 1 318.383 3.734 20 5 DHBDMN COC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668782 1026062439 /nfs/dbraw/zinc/06/24/39/1026062439.db2.gz RWPFGZCKISRIDB-SUMWQHHRSA-N 0 1 300.358 3.633 20 5 DHBDMN COc1ccc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946796 1026245420 /nfs/dbraw/zinc/24/54/20/1026245420.db2.gz WISRVNVFIADPBF-NEPJUHHUSA-N 0 1 316.357 3.721 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ncco2)CC1 ZINC000931449183 1027128439 /nfs/dbraw/zinc/12/84/39/1027128439.db2.gz SMDMCQGUJZXOLZ-GFCCVEGCSA-N 0 1 301.346 3.523 20 5 DHBDMN Cc1ccc2nc([C@H]3CCCN3c3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000562295666 1027348846 /nfs/dbraw/zinc/34/88/46/1027348846.db2.gz WITWMLHBQMXIDD-CQSZACIVSA-N 0 1 323.356 3.516 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932207074 1027414241 /nfs/dbraw/zinc/41/42/41/1027414241.db2.gz QVFHZZHKGNTHNZ-AWEZNQCLSA-N 0 1 317.414 3.506 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](C(F)(F)F)C1 ZINC000778949882 1027633967 /nfs/dbraw/zinc/63/39/67/1027633967.db2.gz DFQFQJNWURGQOX-GHMZBOCLSA-N 0 1 302.296 3.848 20 5 DHBDMN C[C@@H]1C[C@H](C)CN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000576805950 1027663372 /nfs/dbraw/zinc/66/33/72/1027663372.db2.gz WNFJIWBVGOZDFW-VHSXEESVSA-N 0 1 302.296 3.844 20 5 DHBDMN COc1ccc([C@H](C)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000023004780 1027765784 /nfs/dbraw/zinc/76/57/84/1027765784.db2.gz IEBBABXYRSAXNB-ZDUSSCGKSA-N 0 1 300.358 3.796 20 5 DHBDMN CCc1nc([C@@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152746 1028405715 /nfs/dbraw/zinc/40/57/15/1028405715.db2.gz AXUUFZFNQWMEOA-VXGBXAGGSA-N 0 1 319.430 3.896 20 5 DHBDMN COc1cccc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000009902463 1028525360 /nfs/dbraw/zinc/52/53/60/1028525360.db2.gz ZMALESNVUFBESL-GOSISDBHSA-N 0 1 312.369 3.941 20 5 DHBDMN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1c(F)cncc1F ZINC000449319162 1028548476 /nfs/dbraw/zinc/54/84/76/1028548476.db2.gz JAUVHIIIHKYEAO-QWRGUYRKSA-N 0 1 321.327 3.550 20 5 DHBDMN Cc1ccc(OC[C@H](C)NCc2csc([N+](=O)[O-])c2)cc1 ZINC000040499624 1028560402 /nfs/dbraw/zinc/56/04/02/1028560402.db2.gz PLECOHCUZKVFNJ-LBPRGKRZSA-N 0 1 306.387 3.522 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000565860961 1028644583 /nfs/dbraw/zinc/64/45/83/1028644583.db2.gz IJPXJAOXQHCCQJ-LJQANCHMSA-N 0 1 324.380 3.565 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC4(CC4)CC3)co2)cc1 ZINC000371346112 1028696651 /nfs/dbraw/zinc/69/66/51/1028696651.db2.gz UXAQYMSMYYJJLL-UHFFFAOYSA-N 0 1 313.357 3.626 20 5 DHBDMN Cc1cc(N(C)CCCOC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000566966592 1028813114 /nfs/dbraw/zinc/81/31/14/1028813114.db2.gz UWCXVAIOHHRIBE-UHFFFAOYSA-N 0 1 317.389 3.703 20 5 DHBDMN CC[C@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC ZINC000410683197 1028922992 /nfs/dbraw/zinc/92/29/92/1028922992.db2.gz KRJVSVLSSYCMOL-QWRGUYRKSA-N 0 1 318.377 3.510 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3cccnc3)C2)c(Cl)c1 ZINC000570088385 1029311028 /nfs/dbraw/zinc/31/10/28/1029311028.db2.gz FLMLGWOGQQZFAQ-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN CC(C)(NCc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000291801784 1030650221 /nfs/dbraw/zinc/65/02/21/1030650221.db2.gz XJENRTJISNBGNO-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN Cc1c(CN[C@H](C)c2cc(O)cc(F)c2)cccc1[N+](=O)[O-] ZINC000926269593 1030680491 /nfs/dbraw/zinc/68/04/91/1030680491.db2.gz NHFKIQXVRQZSHU-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN CCCCn1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000359329686 1030910735 /nfs/dbraw/zinc/91/07/35/1030910735.db2.gz JBLQOJVBDHSSIL-ZDUSSCGKSA-N 0 1 316.405 3.751 20 5 DHBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000339100622 1030955373 /nfs/dbraw/zinc/95/53/73/1030955373.db2.gz QLFAORLPZLPZTH-GFCCVEGCSA-N 0 1 320.414 3.815 20 5 DHBDMN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926891219 1030973427 /nfs/dbraw/zinc/97/34/27/1030973427.db2.gz HLHVBEYILRMPEU-DOMZBBRYSA-N 0 1 315.373 3.800 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccnn1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000926894299 1030973858 /nfs/dbraw/zinc/97/38/58/1030973858.db2.gz XOCITYKSQJGUGG-OLZOCXBDSA-N 0 1 314.389 3.928 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000536842985 1031454051 /nfs/dbraw/zinc/45/40/51/1031454051.db2.gz BYRMKGSJSPSWKY-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cnccc1C ZINC000872076925 1031473500 /nfs/dbraw/zinc/47/35/00/1031473500.db2.gz VONZZLUQXFJVDG-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN C[C@H](N[C@H](C1CC1)[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083089 1031479113 /nfs/dbraw/zinc/47/91/13/1031479113.db2.gz GXDJLZSVFQJMFV-UXEPBGEESA-N 0 1 322.380 3.732 20 5 DHBDMN CC[C@H](CSC)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124328068 1031685791 /nfs/dbraw/zinc/68/57/91/1031685791.db2.gz WCCGJGJBUJUTGZ-LLVKDONJSA-N 0 1 302.827 3.822 20 5 DHBDMN COc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC000873008855 1031689573 /nfs/dbraw/zinc/68/95/73/1031689573.db2.gz QNMTUOOOHPDPJF-UHFFFAOYSA-N 0 1 318.348 3.649 20 5 DHBDMN C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)O1 ZINC000877681274 1033410438 /nfs/dbraw/zinc/41/04/38/1033410438.db2.gz FVLFXVPPGGUZQL-RGNHYFCHSA-N 0 1 319.188 3.557 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC23CCCC3)c1F ZINC001173183011 1033585180 /nfs/dbraw/zinc/58/51/80/1033585180.db2.gz VPSYYGLQDONURR-LBPRGKRZSA-N 0 1 322.380 3.692 20 5 DHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nccs1 ZINC001173233979 1033609057 /nfs/dbraw/zinc/60/90/57/1033609057.db2.gz NLKLRRSGGCZPCX-IUODEOHRSA-N 0 1 317.414 3.819 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000339027416 1033661869 /nfs/dbraw/zinc/66/18/69/1033661869.db2.gz NOQUAWMUUHQDFB-IBGZPJMESA-N 0 1 324.380 3.952 20 5 DHBDMN CCOc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178648813 1034256464 /nfs/dbraw/zinc/25/64/64/1034256464.db2.gz XZCTVAZFZGEWND-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1ccc(CSc2nc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000865349516 1034601112 /nfs/dbraw/zinc/60/11/12/1034601112.db2.gz DQPVYYIZJSJIFV-UHFFFAOYSA-N 0 1 306.391 3.611 20 5 DHBDMN Cc1ccc(CSc2n[nH]c(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000865349516 1034601135 /nfs/dbraw/zinc/60/11/35/1034601135.db2.gz DQPVYYIZJSJIFV-UHFFFAOYSA-N 0 1 306.391 3.611 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1csc(C)c1C ZINC001203352777 1035354457 /nfs/dbraw/zinc/35/44/57/1035354457.db2.gz YZRQFHXGJUNYJV-UHFFFAOYSA-N 0 1 320.414 3.962 20 5 DHBDMN CC[C@@H](CSC)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000773707369 1035391400 /nfs/dbraw/zinc/39/14/00/1035391400.db2.gz NYNFYGCXMDFTRS-LBPRGKRZSA-N 0 1 302.827 3.822 20 5 DHBDMN CCc1ccc(-c2noc(-c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC000904577311 1035425578 /nfs/dbraw/zinc/42/55/78/1035425578.db2.gz WAQNGNGQTQOXPQ-UHFFFAOYSA-N 0 1 311.297 3.580 20 5 DHBDMN CC(C)c1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC001179425589 1035478758 /nfs/dbraw/zinc/47/87/58/1035478758.db2.gz MSIJNQUWXVMMPT-VXGBXAGGSA-N 0 1 302.296 3.759 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC2(CCC2)c2ccccc21 ZINC001193355667 1035614064 /nfs/dbraw/zinc/61/40/64/1035614064.db2.gz WUYQEDOYYTVYKZ-UHFFFAOYSA-N 0 1 310.353 3.742 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCCCC3)co2)cc1 ZINC000089884011 1035758338 /nfs/dbraw/zinc/75/83/38/1035758338.db2.gz ILMDIJBHVVTNAD-UHFFFAOYSA-N 0 1 301.346 3.626 20 5 DHBDMN CCCCN(CC)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000914567231 1036118008 /nfs/dbraw/zinc/11/80/08/1036118008.db2.gz KNTOMTWYBDGTQX-UHFFFAOYSA-N 0 1 309.391 3.951 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000153416862 1036466074 /nfs/dbraw/zinc/46/60/74/1036466074.db2.gz WBMJZRYMNYJBDO-NSHDSACASA-N 0 1 304.321 3.599 20 5 DHBDMN COc1ccc2c(c1)[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851053 1036577659 /nfs/dbraw/zinc/57/76/59/1036577659.db2.gz XPFAYEAYTLYHQH-YVEFUNNKSA-N 0 1 312.369 3.942 20 5 DHBDMN COc1ccc2c(c1)[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851050 1036581705 /nfs/dbraw/zinc/58/17/05/1036581705.db2.gz XPFAYEAYTLYHQH-SJKOYZFVSA-N 0 1 312.369 3.942 20 5 DHBDMN CN(CCCc1cccnc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929863182 1036669319 /nfs/dbraw/zinc/66/93/19/1036669319.db2.gz IBWMSJPLECUTPT-UHFFFAOYSA-N 0 1 319.792 3.708 20 5 DHBDMN CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774903865 1037195144 /nfs/dbraw/zinc/19/51/44/1037195144.db2.gz ALRZYGQEBMYCJX-LBPRGKRZSA-N 0 1 307.350 3.515 20 5 DHBDMN Cc1cc(NCCc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])s1 ZINC001185640099 1037200228 /nfs/dbraw/zinc/20/02/28/1037200228.db2.gz NTZFFBDHPXRWOQ-UHFFFAOYSA-N 0 1 320.349 3.635 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2csc(C(F)(F)F)c2)cc1 ZINC001199583175 1037292257 /nfs/dbraw/zinc/29/22/57/1037292257.db2.gz UYRRPMPMHJMPNV-UHFFFAOYSA-N 0 1 316.304 3.965 20 5 DHBDMN Cn1ccc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493300370 1037400742 /nfs/dbraw/zinc/40/07/42/1037400742.db2.gz CTVZMJHKRCRHEF-LJQANCHMSA-N 0 1 321.380 3.813 20 5 DHBDMN COC1CCC(N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493333105 1037405124 /nfs/dbraw/zinc/40/51/24/1037405124.db2.gz FABPDRQVUAWPCU-UHFFFAOYSA-N 0 1 312.797 3.638 20 5 DHBDMN O=[N+]([O-])c1ccccc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609234043 1037416475 /nfs/dbraw/zinc/41/64/75/1037416475.db2.gz MFVWKGIENZIQPN-SFHVURJKSA-N 0 1 312.369 3.558 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCCO[C@H](c2ccccc2)C1 ZINC000609234043 1037416479 /nfs/dbraw/zinc/41/64/79/1037416479.db2.gz MFVWKGIENZIQPN-SFHVURJKSA-N 0 1 312.369 3.558 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCS[C@H](C)CC1 ZINC000494137763 1037652062 /nfs/dbraw/zinc/65/20/62/1037652062.db2.gz UCUFPOTZAXICNN-CYBMUJFWSA-N 0 1 324.446 3.709 20 5 DHBDMN CC[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1OC ZINC000763409037 1037824521 /nfs/dbraw/zinc/82/45/21/1037824521.db2.gz SDYICQYSFWJLIE-OAHLLOKOSA-N 0 1 316.357 3.550 20 5 DHBDMN CCc1nc(C)c(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000494292762 1038041408 /nfs/dbraw/zinc/04/14/08/1038041408.db2.gz IZVHILVWABJMBW-XYOKQWHBSA-N 0 1 315.373 3.647 20 5 DHBDMN COc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c(F)c1 ZINC000571776333 1038252802 /nfs/dbraw/zinc/25/28/02/1038252802.db2.gz YIRCWPAIVKNVFC-INIZCTEOSA-N 0 1 316.332 3.520 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H](C)c2ccccc21 ZINC000588953975 1038417109 /nfs/dbraw/zinc/41/71/09/1038417109.db2.gz RTFKIXLBVATVAY-PXAZEXFGSA-N 0 1 312.369 3.942 20 5 DHBDMN Cc1ccc(CN2CCC(c3cccnc3)CC2)cc1[N+](=O)[O-] ZINC000589196219 1038447734 /nfs/dbraw/zinc/44/77/34/1038447734.db2.gz KWAYOXVVSXNRET-UHFFFAOYSA-N 0 1 311.385 3.678 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1ccccc1CC(F)(F)F ZINC000599015430 1038996572 /nfs/dbraw/zinc/99/65/72/1038996572.db2.gz FISCLLBBCNZBCO-UHFFFAOYSA-N 0 1 324.302 3.989 20 5 DHBDMN CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593736509 1039134013 /nfs/dbraw/zinc/13/40/13/1039134013.db2.gz BIKCYFQYOQUBCY-CYBMUJFWSA-N 0 1 320.389 3.551 20 5 DHBDMN O=[N+]([O-])c1cccc(CNC2(c3cccc(F)c3)CCC2)c1 ZINC000592144684 1039137567 /nfs/dbraw/zinc/13/75/67/1039137567.db2.gz IKOZGRFISQNNRA-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734880 1039139991 /nfs/dbraw/zinc/13/99/91/1039139991.db2.gz HGWLRIGRFSMCKC-CQSZACIVSA-N 0 1 320.389 3.694 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553334 1039213583 /nfs/dbraw/zinc/21/35/83/1039213583.db2.gz PPLGZHNDBKFBIE-OLZOCXBDSA-N 0 1 312.822 3.718 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000574128271 1039413328 /nfs/dbraw/zinc/41/33/28/1039413328.db2.gz PWORGKVDQPSZPP-WDEREUQCSA-N 0 1 309.797 3.594 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000574128271 1039413336 /nfs/dbraw/zinc/41/33/36/1039413336.db2.gz PWORGKVDQPSZPP-WDEREUQCSA-N 0 1 309.797 3.594 20 5 DHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)nc1 ZINC000595012556 1039974920 /nfs/dbraw/zinc/97/49/20/1039974920.db2.gz DBGGOMYIVOOENB-JTQLQIEISA-N 0 1 307.300 3.778 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H](C)C2 ZINC000594983955 1039997998 /nfs/dbraw/zinc/99/79/98/1039997998.db2.gz RZGRWIOFVBQLIC-BZNIZROVSA-N 0 1 302.399 3.988 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(C)cc1 ZINC000595007652 1040016844 /nfs/dbraw/zinc/01/68/44/1040016844.db2.gz POENBLGJCHPQLS-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CC[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031432 1040040391 /nfs/dbraw/zinc/04/03/91/1040040391.db2.gz GPVYHGUMRSWHSU-UWVGGRQHSA-N 0 1 320.311 3.985 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cc(C)cs1 ZINC000595042228 1040045924 /nfs/dbraw/zinc/04/59/24/1040045924.db2.gz RFMOKMAHWJHEBJ-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595101948 1040068181 /nfs/dbraw/zinc/06/81/81/1040068181.db2.gz GOKISGJXBVJSFT-SUNYJGFJSA-N 0 1 314.385 3.676 20 5 DHBDMN COc1ccc(CN2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000595619057 1040192836 /nfs/dbraw/zinc/19/28/36/1040192836.db2.gz ZEEKHJFLMOBNSB-UHFFFAOYSA-N 0 1 316.357 3.576 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H](CCF)C1 ZINC000595756838 1040244257 /nfs/dbraw/zinc/24/42/57/1040244257.db2.gz XTAPUBCHJNWAGF-LLVKDONJSA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSCCCC1CCOCC1 ZINC000593196977 1040488681 /nfs/dbraw/zinc/48/86/81/1040488681.db2.gz HAMOPZYFEANMSD-UHFFFAOYSA-N 0 1 311.403 3.740 20 5 DHBDMN CCS[C@H]1CC[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350050 1040630296 /nfs/dbraw/zinc/63/02/96/1040630296.db2.gz GIGGLRIVAARAGA-KBPBESRZSA-N 0 1 312.410 3.840 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000602904858 1041302022 /nfs/dbraw/zinc/30/20/22/1041302022.db2.gz PVNVVZMGCQOWES-UHFFFAOYSA-N 0 1 315.348 3.509 20 5 DHBDMN COCC[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272645648 130049509 /nfs/dbraw/zinc/04/95/09/130049509.db2.gz ZXDAPYMMIXLJBK-NFBGWVBBSA-N 0 1 316.357 3.568 20 5 DHBDMN Cc1nc([C@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000286358499 131232593 /nfs/dbraw/zinc/23/25/93/131232593.db2.gz KTQROKRETPIILE-YFKPBYRVSA-N 0 1 316.148 3.501 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCCCO1 ZINC000290988305 131533092 /nfs/dbraw/zinc/53/30/92/131533092.db2.gz ZMDLAWBAPJQSJX-LLVKDONJSA-N 0 1 319.188 3.560 20 5 DHBDMN COC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413265 332829854 /nfs/dbraw/zinc/82/98/54/332829854.db2.gz BPLIRVSYJAZFHL-SUMWQHHRSA-N 0 1 300.358 3.633 20 5 DHBDMN COc1ccc(CNCc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000049948541 332330754 /nfs/dbraw/zinc/33/07/54/332330754.db2.gz YKOZTMWMSPFKMN-UHFFFAOYSA-N 0 1 306.749 3.547 20 5 DHBDMN Cc1ccc(CNCc2cnccc2C(C)(C)C)cc1[N+](=O)[O-] ZINC000414497679 333998412 /nfs/dbraw/zinc/99/84/12/333998412.db2.gz LDDDFHUXXWISFI-UHFFFAOYSA-N 0 1 313.401 3.886 20 5 DHBDMN Cc1cc(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271654493 334025210 /nfs/dbraw/zinc/02/52/10/334025210.db2.gz VWQDZANKGMURHX-CYBMUJFWSA-N 0 1 314.389 3.567 20 5 DHBDMN Cc1cccc([C@H](NCc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000342047114 334504686 /nfs/dbraw/zinc/50/46/86/334504686.db2.gz XIIWQSIAIFIVCU-HNNXBMFYSA-N 0 1 316.405 3.514 20 5 DHBDMN Cc1c([C@@H](C)N[C@@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357166 334707533 /nfs/dbraw/zinc/70/75/33/334707533.db2.gz GGZLBHCEILXJSE-CXAGYDPISA-N 0 1 312.369 3.825 20 5 DHBDMN CC[C@H](N[C@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769155 334871970 /nfs/dbraw/zinc/87/19/70/334871970.db2.gz WOGWSSIFOGGNLC-WBMJQRKESA-N 0 1 315.373 3.800 20 5 DHBDMN COc1cnccc1[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188780994 334872240 /nfs/dbraw/zinc/87/22/40/334872240.db2.gz JXTCHMQOFAONSC-CHWSQXEVSA-N 0 1 315.373 3.719 20 5 DHBDMN COc1cc(CN(C)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000352533928 336223116 /nfs/dbraw/zinc/22/31/16/336223116.db2.gz BEQLEUHSDJSFPJ-GFCCVEGCSA-N 0 1 316.357 3.502 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(c1ccnc3cc(F)ccc31)C2 ZINC000301807338 336331416 /nfs/dbraw/zinc/33/14/16/336331416.db2.gz CFHUVUCXBIGOED-UHFFFAOYSA-N 0 1 323.327 3.845 20 5 DHBDMN CC[C@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000302154206 336351200 /nfs/dbraw/zinc/35/12/00/336351200.db2.gz IKPUALJLCXRWPG-ZDUSSCGKSA-N 0 1 317.414 3.783 20 5 DHBDMN CC[C@H](NCc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353631157 336430342 /nfs/dbraw/zinc/43/03/42/336430342.db2.gz PFDIATXILJISCR-INIZCTEOSA-N 0 1 310.357 3.712 20 5 DHBDMN CC(C)CC1(C)CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356456425 336550535 /nfs/dbraw/zinc/55/05/35/336550535.db2.gz OODQUHSFWKCASN-UHFFFAOYSA-N 0 1 320.389 3.589 20 5 DHBDMN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356577355 336555085 /nfs/dbraw/zinc/55/50/85/336555085.db2.gz MZPHCUYJYULIAB-CYBMUJFWSA-N 0 1 320.389 3.589 20 5 DHBDMN CC(C)C[C@@H]1CCCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356630874 336556698 /nfs/dbraw/zinc/55/66/98/336556698.db2.gz HWEUIEDKJDNCCB-AWEZNQCLSA-N 0 1 320.389 3.731 20 5 DHBDMN CC[C@H](N[C@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376797 336627255 /nfs/dbraw/zinc/62/72/55/336627255.db2.gz HYRIIYYXPBAMQP-LSDHHAIUSA-N 0 1 320.414 3.739 20 5 DHBDMN O=C(N[C@@H]1CCCCC12CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000361198710 336743961 /nfs/dbraw/zinc/74/39/61/336743961.db2.gz GGHWDUKDDNPLCL-OAHLLOKOSA-N 0 1 318.373 3.533 20 5 DHBDMN C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000375345883 337008743 /nfs/dbraw/zinc/00/87/43/337008743.db2.gz VVANQNYSMLLZNJ-BDJLRTHQSA-N 0 1 316.332 3.908 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccccc1-n1cccn1 ZINC000177225704 337154811 /nfs/dbraw/zinc/15/48/11/337154811.db2.gz LISVWZHPPHLPJE-AWEZNQCLSA-N 0 1 322.368 3.631 20 5 DHBDMN CSC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182242056 337187575 /nfs/dbraw/zinc/18/75/75/337187575.db2.gz QUZYIYYMLUHLLJ-GFCCVEGCSA-N 0 1 300.811 3.576 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(F)F)cc1 ZINC000527525883 337749069 /nfs/dbraw/zinc/74/90/69/337749069.db2.gz ODHVBJCNOCWKMN-UHFFFAOYSA-N 0 1 322.311 3.831 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(C)c2ccccc2C1 ZINC000436102915 338258405 /nfs/dbraw/zinc/25/84/05/338258405.db2.gz RTUWQRBWXMNOKS-CQSZACIVSA-N 0 1 311.385 3.608 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1O ZINC000436748741 338285146 /nfs/dbraw/zinc/28/51/46/338285146.db2.gz UYWKPSQCAGDUGN-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301276 338820957 /nfs/dbraw/zinc/82/09/57/338820957.db2.gz XKRXFPRFIAKEOC-OUCADQQQSA-N 0 1 312.360 3.939 20 5 DHBDMN CO[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000467386257 339235947 /nfs/dbraw/zinc/23/59/47/339235947.db2.gz UWHIITPQOGRUDO-CXAGYDPISA-N 0 1 306.406 3.575 20 5 DHBDMN C[C@@H](c1cc(F)ccc1F)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507192560 340212345 /nfs/dbraw/zinc/21/23/45/340212345.db2.gz SIFXOAXKJWYVLO-JTQLQIEISA-N 0 1 322.311 3.772 20 5 DHBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000508530250 340245855 /nfs/dbraw/zinc/24/58/55/340245855.db2.gz GOQHSVBUYXKIQY-OAHLLOKOSA-N 0 1 314.385 3.804 20 5 DHBDMN Cc1cc(N2CCC(F)(F)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000517063945 340462965 /nfs/dbraw/zinc/46/29/65/340462965.db2.gz VEFIOZMFGUODKQ-JTQLQIEISA-N 0 1 321.327 3.933 20 5 DHBDMN COc1ccc(C2(N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540721732 340943126 /nfs/dbraw/zinc/94/31/26/340943126.db2.gz CAKFGGCFUARTKW-CYBMUJFWSA-N 0 1 312.369 3.943 20 5 DHBDMN CN(CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543860353 341061683 /nfs/dbraw/zinc/06/16/83/341061683.db2.gz WTBLXOZTLTXQSU-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCC[C@@H]1c1cccn1C ZINC000544611465 341088843 /nfs/dbraw/zinc/08/88/43/341088843.db2.gz RRHOLYSYUHQLAT-GOSISDBHSA-N 0 1 313.401 3.969 20 5 DHBDMN CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000080932464 341276842 /nfs/dbraw/zinc/27/68/42/341276842.db2.gz VTOADBOMGCLJDB-CYBMUJFWSA-N 0 1 300.358 3.884 20 5 DHBDMN C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845230 341304860 /nfs/dbraw/zinc/30/48/60/341304860.db2.gz HXOYPVJSOJSFLK-DZGCQCFKSA-N 0 1 312.369 3.678 20 5 DHBDMN CC(C)(NCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000180875326 519325348 /nfs/dbraw/zinc/32/53/48/519325348.db2.gz RUBNKLPFPOLZMV-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN Cc1csc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000156657665 526330544 /nfs/dbraw/zinc/33/05/44/526330544.db2.gz MQQNVBZMZYKTCX-UHFFFAOYSA-N 0 1 317.414 3.739 20 5 DHBDMN CCCC[C@@H](C)N(CCCC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000517772383 1013066931 /nfs/dbraw/zinc/06/69/31/1013066931.db2.gz HMMBGPASVXXHDV-GFCCVEGCSA-N 0 1 324.425 3.701 20 5 DHBDMN CC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083198534 1013993060 /nfs/dbraw/zinc/99/30/60/1013993060.db2.gz CPHOHQJSXOUOGW-LBPRGKRZSA-N 0 1 303.362 3.748 20 5 DHBDMN CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593736703 974985664 /nfs/dbraw/zinc/98/56/64/974985664.db2.gz URQSVKSNYCXJKS-VXGBXAGGSA-N 0 1 320.389 3.692 20 5 DHBDMN C[C@@H]1CC[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580629842 1014260680 /nfs/dbraw/zinc/26/06/80/1014260680.db2.gz GIHGDOFASLYVNA-AOOOYVTPSA-N 0 1 302.296 3.986 20 5 DHBDMN Cc1cccc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000581307726 1014691356 /nfs/dbraw/zinc/69/13/56/1014691356.db2.gz BVNZOJNPJJVXTK-UHFFFAOYSA-N 0 1 311.385 3.505 20 5 DHBDMN Cc1cccc(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000581307726 1014691358 /nfs/dbraw/zinc/69/13/58/1014691358.db2.gz BVNZOJNPJJVXTK-UHFFFAOYSA-N 0 1 311.385 3.505 20 5 DHBDMN CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594930914 982556510 /nfs/dbraw/zinc/55/65/10/982556510.db2.gz BXPJDCPYUCNLAJ-DOMZBBRYSA-N 0 1 320.389 3.694 20 5 DHBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC001596355792 983822183 /nfs/dbraw/zinc/82/21/83/983822183.db2.gz DYSZNWSAGZGGHX-IUODEOHRSA-N 0 1 320.389 3.694 20 5 DHBDMN Cc1ccc2nc(CN[C@H](C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000361809977 1032107639 /nfs/dbraw/zinc/10/76/39/1032107639.db2.gz BGZQRPQUUDHIRI-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277131976 1015902529 /nfs/dbraw/zinc/90/25/29/1015902529.db2.gz CUAAUKKFAWQQEB-BDAKNGLRSA-N 0 1 307.329 3.539 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277233171 1016089507 /nfs/dbraw/zinc/08/95/07/1016089507.db2.gz MLZNUSQAWUIMEZ-SDDRHHMPSA-N 0 1 317.393 3.638 20 5 DHBDMN CSC[C@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135476513 1016236039 /nfs/dbraw/zinc/23/60/39/1016236039.db2.gz QXUCJECJGQITSH-GFCCVEGCSA-N 0 1 300.811 3.576 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](CC(F)(F)F)C1 ZINC000582340054 1016600049 /nfs/dbraw/zinc/60/00/49/1016600049.db2.gz ANFQAIBVOWXCJX-KTLBGCOUSA-N 0 1 314.307 3.882 20 5 DHBDMN COc1ccsc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478489519 1016695226 /nfs/dbraw/zinc/69/52/26/1016695226.db2.gz NCQSMRYIIUKJNJ-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN CC(C)[N@H+](Cc1ccc(F)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338936035 1016763827 /nfs/dbraw/zinc/76/38/27/1016763827.db2.gz MBPADLWKOSESHP-UHFFFAOYSA-N 0 1 318.348 3.850 20 5 DHBDMN O=C(N[C@H]1CCCC12CCCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001147253993 1032290282 /nfs/dbraw/zinc/29/02/82/1032290282.db2.gz CVVSBDOYKCBHHB-HNNXBMFYSA-N 0 1 318.373 3.533 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)CCc1cccs1 ZINC000537649116 1032586458 /nfs/dbraw/zinc/58/64/58/1032586458.db2.gz GCKZBPNOVQGFQO-UHFFFAOYSA-N 0 1 320.414 3.730 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC(CC(F)F)C2)o1 ZINC000425365610 1012491644 /nfs/dbraw/zinc/49/16/44/1012491644.db2.gz MEHHQEDXOMDUNN-UHFFFAOYSA-N 0 1 322.311 3.942 20 5 DHBDMN CN(CCC1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444619721 1017594814 /nfs/dbraw/zinc/59/48/14/1017594814.db2.gz LCORZMIFDQNGEW-UHFFFAOYSA-N 0 1 316.405 3.873 20 5 DHBDMN CCSCC[C@H](C)N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083216458 1017637397 /nfs/dbraw/zinc/63/73/97/1017637397.db2.gz VPGMBJAGZAWQAF-NSHDSACASA-N 0 1 323.418 3.700 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(N(C)Cc2cc(C(C)(C)C)[nH]n2)c1 ZINC000444866269 1017704353 /nfs/dbraw/zinc/70/43/53/1017704353.db2.gz XTKQGRJNLGXRDY-UHFFFAOYSA-N 0 1 302.378 3.560 20 5 DHBDMN CCSc1cccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000185474800 1017825979 /nfs/dbraw/zinc/82/59/79/1017825979.db2.gz LVSKMOBHNUDVOE-UHFFFAOYSA-N 0 1 302.399 3.997 20 5 DHBDMN COc1ccc(C2(NCc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000524687547 1018068845 /nfs/dbraw/zinc/06/88/45/1018068845.db2.gz UDYHZXICQDVUOG-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cs1 ZINC000446142809 1018070390 /nfs/dbraw/zinc/07/03/90/1018070390.db2.gz CJPYFYRNBIWTEH-UHFFFAOYSA-N 0 1 314.248 3.613 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(Cl)nc1 ZINC000765128547 1018482769 /nfs/dbraw/zinc/48/27/69/1018482769.db2.gz VOFZVGJXARYGHE-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN COc1cc(-c2nc3ccc(Cl)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000536139482 1018703689 /nfs/dbraw/zinc/70/36/89/1018703689.db2.gz FBGUHYWXMLWLEJ-UHFFFAOYSA-N 0 1 303.705 3.800 20 5 DHBDMN CC(C)c1ccc(CN2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000611272386 1019432419 /nfs/dbraw/zinc/43/24/19/1019432419.db2.gz FOWFAHWGXITTKI-UHFFFAOYSA-N 0 1 306.406 3.719 20 5 DHBDMN CCc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000530834345 1019920665 /nfs/dbraw/zinc/92/06/65/1019920665.db2.gz QUPJXZYJEFXKBX-UHFFFAOYSA-N 0 1 320.732 3.769 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000338889700 1020339687 /nfs/dbraw/zinc/33/96/87/1020339687.db2.gz JZKNTPXDPWPRMW-INIZCTEOSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000338889700 1020339699 /nfs/dbraw/zinc/33/96/99/1020339699.db2.gz JZKNTPXDPWPRMW-INIZCTEOSA-N 0 1 316.332 3.777 20 5 DHBDMN Cc1c(CNC2(c3cccc(F)c3)CC2)cccc1[N+](=O)[O-] ZINC000179697073 1020437064 /nfs/dbraw/zinc/43/70/64/1020437064.db2.gz ATAGWSVRVHBQCF-UHFFFAOYSA-N 0 1 300.333 3.821 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](c1ccco1)N(C)C ZINC000302759056 1020438188 /nfs/dbraw/zinc/43/81/88/1020438188.db2.gz JNOMAZAKRDXZBE-ZDUSSCGKSA-N 0 1 323.780 3.864 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCCOc1ccccc1F ZINC000734835444 1020668448 /nfs/dbraw/zinc/66/84/48/1020668448.db2.gz VZTQXOYWQFNZES-UHFFFAOYSA-N 0 1 324.739 3.556 20 5 DHBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576037 1032951938 /nfs/dbraw/zinc/95/19/38/1032951938.db2.gz GRCHUDOHHLYXBD-HZMBPMFUSA-N 0 1 303.387 3.780 20 5 DHBDMN CCN(CC(C)C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000917454749 1021272155 /nfs/dbraw/zinc/27/21/55/1021272155.db2.gz ZZOKPOKHBVCTMR-UHFFFAOYSA-N 0 1 309.391 3.807 20 5 DHBDMN Cc1nn(CN2CCCC3(C2)CCCCCC3)c(C)c1[N+](=O)[O-] ZINC000743385498 1021279238 /nfs/dbraw/zinc/27/92/38/1021279238.db2.gz JVBIIKFCZCRRFD-UHFFFAOYSA-N 0 1 320.437 3.802 20 5 DHBDMN CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000194620188 1021498134 /nfs/dbraw/zinc/49/81/34/1021498134.db2.gz WLJHIUWCXUGKKC-MRXNPFEDSA-N 0 1 312.369 3.771 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850441501 1021536109 /nfs/dbraw/zinc/53/61/09/1021536109.db2.gz AOEUARDXJXGSSO-ZDUSSCGKSA-N 0 1 312.369 3.771 20 5 DHBDMN O=C(CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000182488139 1021685885 /nfs/dbraw/zinc/68/58/85/1021685885.db2.gz SFGSELZLSWREMH-UHFFFAOYSA-N 0 1 324.380 3.832 20 5 DHBDMN COc1ccc(CNCc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000122563190 1021735867 /nfs/dbraw/zinc/73/58/67/1021735867.db2.gz VZXFLTLHPWYKHR-UHFFFAOYSA-N 0 1 324.739 3.686 20 5 DHBDMN CC[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000556997054 1022006809 /nfs/dbraw/zinc/00/68/09/1022006809.db2.gz IRONBUAIXWQIQQ-NSHDSACASA-N 0 1 302.296 3.988 20 5 DHBDMN CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460600 1022079541 /nfs/dbraw/zinc/07/95/41/1022079541.db2.gz JYMLNUBBULGUSJ-IAGOWNOFSA-N 0 1 318.348 3.508 20 5 DHBDMN Cc1nn(C(C)C)cc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000341411015 1022123796 /nfs/dbraw/zinc/12/37/96/1022123796.db2.gz VXKIBMYXAOQGML-UHFFFAOYSA-N 0 1 316.405 3.706 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1cccc(C)c1 ZINC000179583174 1022475873 /nfs/dbraw/zinc/47/58/73/1022475873.db2.gz JSPYWNCQALSKGI-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOc2ccccc2C1 ZINC000615836114 1022569043 /nfs/dbraw/zinc/56/90/43/1022569043.db2.gz WXFURHCSCSBZHO-RVDMUPIBSA-N 0 1 324.380 3.893 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCOc2ccccc2C1 ZINC000615836114 1022569054 /nfs/dbraw/zinc/56/90/54/1022569054.db2.gz WXFURHCSCSBZHO-RVDMUPIBSA-N 0 1 324.380 3.893 20 5 DHBDMN CC[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770306524 1023295036 /nfs/dbraw/zinc/29/50/36/1023295036.db2.gz YFRXDEMENZUEKS-JTQLQIEISA-N 0 1 313.195 3.589 20 5 DHBDMN Cc1ccncc1[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770751058 1023348778 /nfs/dbraw/zinc/34/87/78/1023348778.db2.gz TXZLPFFZTSMZQC-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN CCc1cc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000772062840 1023511513 /nfs/dbraw/zinc/51/15/13/1023511513.db2.gz HHCYJIFISQINII-UHFFFAOYSA-N 0 1 315.160 3.799 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)s1 ZINC000049183466 1023839362 /nfs/dbraw/zinc/83/93/62/1023839362.db2.gz CHORQBPCEXZSSC-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000053815129 1023929539 /nfs/dbraw/zinc/92/95/39/1023929539.db2.gz XXMIEIOTZFETNI-UHFFFAOYSA-N 0 1 310.353 3.590 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000268793876 1024162333 /nfs/dbraw/zinc/16/23/33/1024162333.db2.gz CUMGTRUKBLUMPS-JTQLQIEISA-N 0 1 322.311 3.732 20 5 DHBDMN CC(C)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000538790942 1033190199 /nfs/dbraw/zinc/19/01/99/1033190199.db2.gz YPPJWALXJQXRFF-NSHDSACASA-N 0 1 314.332 3.674 20 5 DHBDMN CO[C@@H](c1ccc(F)cc1)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000271568239 1024541632 /nfs/dbraw/zinc/54/16/32/1024541632.db2.gz WTEDTKPQYZVVDM-ZUZCIYMTSA-N 0 1 324.377 3.661 20 5 DHBDMN Cc1ccc2nc(CN[C@@H](C)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000532239152 1024586060 /nfs/dbraw/zinc/58/60/60/1024586060.db2.gz SIEJBPOHCMEMHT-ZDUSSCGKSA-N 0 1 324.384 3.939 20 5 DHBDMN Cc1nc2c(s1)[C@@H](N(C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111311336 1024754154 /nfs/dbraw/zinc/75/41/54/1024754154.db2.gz WKRPHYXXLJEKBQ-HNNXBMFYSA-N 0 1 317.414 3.869 20 5 DHBDMN CC(C)(C)c1cnc(CNCCc2ccccc2[N+](=O)[O-])s1 ZINC000279156891 1024767397 /nfs/dbraw/zinc/76/73/97/1024767397.db2.gz PLYWPLYZZRVIRC-UHFFFAOYSA-N 0 1 319.430 3.681 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccccc1F)C1CC1 ZINC000350032632 1024785589 /nfs/dbraw/zinc/78/55/89/1024785589.db2.gz CVJFMGKYBVNDFM-UHFFFAOYSA-N 0 1 316.332 3.604 20 5 DHBDMN Cc1nc(C2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)[nH]c1C ZINC000884706793 1025233003 /nfs/dbraw/zinc/23/30/03/1025233003.db2.gz OGOFGAPUSSJQHS-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN CC(C)[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886046570 1025449797 /nfs/dbraw/zinc/44/97/97/1025449797.db2.gz JBOAUWHNVNKLMF-OAHLLOKOSA-N 0 1 303.337 3.616 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C2CC2)no1 ZINC000886270505 1025573357 /nfs/dbraw/zinc/57/33/57/1025573357.db2.gz FOAZFKKYKHKEEC-KPKJPENVSA-N 0 1 313.357 3.653 20 5 DHBDMN CCC(CC)C[N@@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000051824664 1025907255 /nfs/dbraw/zinc/90/72/55/1025907255.db2.gz LRQNACPEWDZTSA-UHFFFAOYSA-N 0 1 322.405 3.719 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC2(CCCC2)C1 ZINC000614222693 1025954533 /nfs/dbraw/zinc/95/45/33/1025954533.db2.gz ZQACSUXEEIIVGY-AWEZNQCLSA-N 0 1 304.390 3.548 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2c1cccc2F ZINC000886928716 1025983681 /nfs/dbraw/zinc/98/36/81/1025983681.db2.gz MMGIRQMBVGGXEY-MRXNPFEDSA-N 0 1 316.332 3.520 20 5 DHBDMN CCc1nc(C)c([C@@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000089511910 1026051611 /nfs/dbraw/zinc/05/16/11/1026051611.db2.gz IUKXHTHBBROFRH-SNVBAGLBSA-N 0 1 305.403 3.773 20 5 DHBDMN O=C(Nc1csc2ccccc12)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356790725 1026171636 /nfs/dbraw/zinc/17/16/36/1026171636.db2.gz TYQSYBQGVHZYJG-UHFFFAOYSA-N 0 1 314.322 3.767 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289853382 1026201100 /nfs/dbraw/zinc/20/11/00/1026201100.db2.gz QKURNTJARZUOOC-WQVCFCJDSA-N 0 1 304.390 3.545 20 5 DHBDMN CC1(C)CC[C@@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000808422242 1026284263 /nfs/dbraw/zinc/28/42/63/1026284263.db2.gz ZQZVDUONHQKZMI-LBPRGKRZSA-N 0 1 313.195 3.636 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@]3(CCCOC3)C2)c1 ZINC000747532732 1026417728 /nfs/dbraw/zinc/41/77/28/1026417728.db2.gz RPPNXDQHCXYVBG-MRXNPFEDSA-N 0 1 324.808 3.641 20 5 DHBDMN COC(C)(C)CN(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809953948 1026650617 /nfs/dbraw/zinc/65/06/17/1026650617.db2.gz OAXLOAVEFBPYTE-UHFFFAOYSA-N 0 1 321.204 3.758 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932197071 1027409912 /nfs/dbraw/zinc/40/99/12/1027409912.db2.gz CLEPZLVZCAKYQM-AWEZNQCLSA-N 0 1 317.414 3.506 20 5 DHBDMN Cc1ccc(F)c(CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000576130211 1027569328 /nfs/dbraw/zinc/56/93/28/1027569328.db2.gz JLKSOUPMJOQZBW-UHFFFAOYSA-N 0 1 302.349 3.717 20 5 DHBDMN Cc1nnc(NC(=O)c2c3ccccc3cc3ccccc32)[nH]1 ZINC001133907234 1027703174 /nfs/dbraw/zinc/70/31/74/1027703174.db2.gz QLSCEZOPJYWWBD-UHFFFAOYSA-N 0 1 302.337 3.672 20 5 DHBDMN Cc1n[nH]c(NC(=O)c2c3ccccc3cc3ccccc32)n1 ZINC001133907234 1027703188 /nfs/dbraw/zinc/70/31/88/1027703188.db2.gz QLSCEZOPJYWWBD-UHFFFAOYSA-N 0 1 302.337 3.672 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2cccnc2)CC1 ZINC000365388479 1027936407 /nfs/dbraw/zinc/93/64/07/1027936407.db2.gz HGIOWYLPXZZERG-AWEZNQCLSA-N 0 1 309.369 3.840 20 5 DHBDMN CCCO[C@@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000217005692 1028068729 /nfs/dbraw/zinc/06/87/29/1028068729.db2.gz KEEDMOIZCTYQEY-OAHLLOKOSA-N 0 1 310.369 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](c1ccncc1)C1CC1 ZINC000934691551 1028073654 /nfs/dbraw/zinc/07/36/54/1028073654.db2.gz IVLFMKQUKJNIML-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN C[C@H](CN1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000578285701 1028111109 /nfs/dbraw/zinc/11/11/09/1028111109.db2.gz ROZJEHWLGMWOOQ-CQSZACIVSA-N 0 1 312.369 3.593 20 5 DHBDMN C[C@H](N[C@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582048 1028554887 /nfs/dbraw/zinc/55/48/87/1028554887.db2.gz WPIHUBGUJXUEHD-HZMBPMFUSA-N 0 1 315.398 3.675 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1ccccc1 ZINC000010087131 1028555866 /nfs/dbraw/zinc/55/58/66/1028555866.db2.gz DVLFELKAXKUBPD-KRWDZBQOSA-N 0 1 312.369 3.941 20 5 DHBDMN C[C@H](Nc1cc2c(cn1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627517 1028576750 /nfs/dbraw/zinc/57/67/50/1028576750.db2.gz CIHWINLWHFBPSO-NSHDSACASA-N 0 1 312.373 3.624 20 5 DHBDMN Cc1cnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449499374 1028713439 /nfs/dbraw/zinc/71/34/39/1028713439.db2.gz MAERECMROZRPRW-AWEZNQCLSA-N 0 1 317.414 3.739 20 5 DHBDMN Cc1cnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449499378 1028715253 /nfs/dbraw/zinc/71/52/53/1028715253.db2.gz MAERECMROZRPRW-CQSZACIVSA-N 0 1 317.414 3.739 20 5 DHBDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567105231 1028835931 /nfs/dbraw/zinc/83/59/31/1028835931.db2.gz JWHZWWVKGSUIIJ-NSHDSACASA-N 0 1 324.340 3.522 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCC2CC2)CC1 ZINC000374119978 1029211893 /nfs/dbraw/zinc/21/18/93/1029211893.db2.gz JCBFWDWOHFLFAK-ZDUSSCGKSA-N 0 1 304.390 3.547 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCSC2(CCC2)CC1 ZINC000411863393 1029225370 /nfs/dbraw/zinc/22/53/70/1029225370.db2.gz CHKGGNGCWFRNHQ-UHFFFAOYSA-N 0 1 310.394 3.596 20 5 DHBDMN CC[C@H](N[C@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229796 1029579887 /nfs/dbraw/zinc/57/98/87/1029579887.db2.gz IMYQHQLKDXTHTD-WBMJQRKESA-N 0 1 315.373 3.800 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)cs1 ZINC000865832777 1030046635 /nfs/dbraw/zinc/04/66/35/1030046635.db2.gz WQCBUGDQUCERKE-NXEZZACHSA-N 0 1 306.309 3.643 20 5 DHBDMN C[C@H](NCc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000358038706 1030291137 /nfs/dbraw/zinc/29/11/37/1030291137.db2.gz PDLIXJFVXMDANT-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN CC[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158190 1030352292 /nfs/dbraw/zinc/35/22/92/1030352292.db2.gz PGPMSBWEQISJEB-SJORKVTESA-N 0 1 318.348 3.508 20 5 DHBDMN Cc1ccc(CN[C@H](c2cncc(F)c2)C2CC2)cc1[N+](=O)[O-] ZINC000866540879 1030362818 /nfs/dbraw/zinc/36/28/18/1030362818.db2.gz SJOJEFWONLYUSU-KRWDZBQOSA-N 0 1 315.348 3.678 20 5 DHBDMN CCCc1nc(C)c(CNC/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000291752477 1030627732 /nfs/dbraw/zinc/62/77/32/1030627732.db2.gz QGXYQJAIRUPQEX-RMKNXTFCSA-N 0 1 315.373 3.647 20 5 DHBDMN Cc1c(CN2C[C@@H](C)C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824931 1030638200 /nfs/dbraw/zinc/63/82/00/1030638200.db2.gz NXZZQYULPRKJTD-UGSOOPFHSA-N 0 1 311.385 3.881 20 5 DHBDMN Cc1csc(C(C)(C)NC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000255230232 1030981364 /nfs/dbraw/zinc/98/13/64/1030981364.db2.gz QFKVLIKGHMCKAG-VURMDHGXSA-N 0 1 317.414 3.898 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(C)nc1 ZINC000872024688 1031408049 /nfs/dbraw/zinc/40/80/49/1031408049.db2.gz CSXSLSNVQAACOW-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN C[C@@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000872061119 1031453276 /nfs/dbraw/zinc/45/32/76/1031453276.db2.gz BUOAEKWERCHHKP-UWVGGRQHSA-N 0 1 309.366 3.645 20 5 DHBDMN C[C@H](NC[C@@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075840 1031471305 /nfs/dbraw/zinc/47/13/05/1031471305.db2.gz GTLPAXLOUVWBQE-QPUJVOFHSA-N 0 1 321.179 3.968 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccnc1C ZINC000872091114 1031487764 /nfs/dbraw/zinc/48/77/64/1031487764.db2.gz VVXIJQQGYLPZGM-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN Cc1ccc2nc(CNCc3c(C)ccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000873066902 1031700177 /nfs/dbraw/zinc/70/01/77/1031700177.db2.gz LBGIRIQMTCEESA-UHFFFAOYSA-N 0 1 324.384 3.686 20 5 DHBDMN CC[C@@](C)(NC/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000152610497 1033531772 /nfs/dbraw/zinc/53/17/72/1033531772.db2.gz JUKIUEDSRYFKFX-IQIBNGDESA-N 0 1 317.414 3.980 20 5 DHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nccs1 ZINC001173233978 1033607955 /nfs/dbraw/zinc/60/79/55/1033607955.db2.gz NLKLRRSGGCZPCX-DOMZBBRYSA-N 0 1 317.414 3.819 20 5 DHBDMN COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000479581160 1033824643 /nfs/dbraw/zinc/82/46/43/1033824643.db2.gz UHDFJWJKYVNILY-OAHLLOKOSA-N 0 1 314.385 3.804 20 5 DHBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000479581160 1033824654 /nfs/dbraw/zinc/82/46/54/1033824654.db2.gz UHDFJWJKYVNILY-OAHLLOKOSA-N 0 1 314.385 3.804 20 5 DHBDMN Cc1cnc(C(C)(C)NC/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000175983212 1034060954 /nfs/dbraw/zinc/06/09/54/1034060954.db2.gz WPXCYBUOFROOKZ-SOFGYWHQSA-N 0 1 317.414 3.898 20 5 DHBDMN CCS[C@H]1CCCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000480853346 1034475114 /nfs/dbraw/zinc/47/51/14/1034475114.db2.gz DVCHYYTVEYZPCS-LBPRGKRZSA-N 0 1 312.410 3.842 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H](C3CC3)C2)c1 ZINC000555417916 1034695710 /nfs/dbraw/zinc/69/57/10/1034695710.db2.gz VMLZDILGZXBVKP-LLVKDONJSA-N 0 1 314.307 3.846 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC(Cc2cccs2)C1 ZINC000600214943 1034816042 /nfs/dbraw/zinc/81/60/42/1034816042.db2.gz IIMOIWOHAYVAEY-UTCJRWHESA-N 0 1 314.410 3.844 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc2c1OCO2 ZINC000924798328 1035410537 /nfs/dbraw/zinc/41/05/37/1035410537.db2.gz MJZCLLDGAQDOMV-NWDGAFQWSA-N 0 1 314.341 3.735 20 5 DHBDMN COc1cccc(C2(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000568901101 1035545767 /nfs/dbraw/zinc/54/57/67/1035545767.db2.gz MAMIRFHHOQLOHO-QGZVFWFLSA-N 0 1 324.380 3.870 20 5 DHBDMN CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001193117513 1035568527 /nfs/dbraw/zinc/56/85/27/1035568527.db2.gz OVKCCFLUGLNFNH-INIZCTEOSA-N 0 1 312.369 3.637 20 5 DHBDMN CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001193117513 1035568533 /nfs/dbraw/zinc/56/85/33/1035568533.db2.gz OVKCCFLUGLNFNH-INIZCTEOSA-N 0 1 312.369 3.637 20 5 DHBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc(C)c1Cl ZINC000443188426 1035817529 /nfs/dbraw/zinc/81/75/29/1035817529.db2.gz GECLYWJZXFWENU-UHFFFAOYSA-N 0 1 320.732 3.823 20 5 DHBDMN COc1cc(CN(C)Cc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000485719825 1035902445 /nfs/dbraw/zinc/90/24/45/1035902445.db2.gz WDQPEQSUGZTLBH-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN CCO[C@@]1(C)C[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001182880217 1036472572 /nfs/dbraw/zinc/47/25/72/1036472572.db2.gz CSSUNKKPXJJYBN-YPMHNXCESA-N 0 1 319.188 3.559 20 5 DHBDMN CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000487193789 1036578510 /nfs/dbraw/zinc/57/85/10/1036578510.db2.gz CBGQPZJUFVTYJJ-UHFFFAOYSA-N 0 1 318.348 3.731 20 5 DHBDMN CCN(CCNc1ccc(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491602158 1036612836 /nfs/dbraw/zinc/61/28/36/1036612836.db2.gz RMPHRWOIAKTBDP-UHFFFAOYSA-N 0 1 319.327 3.589 20 5 DHBDMN COc1ccc(CN2CCSC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001197295456 1036726316 /nfs/dbraw/zinc/72/63/16/1036726316.db2.gz GPUDSWVWCFEHES-HNNXBMFYSA-N 0 1 324.446 3.567 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@H](C)C1 ZINC000488229282 1036913786 /nfs/dbraw/zinc/91/37/86/1036913786.db2.gz GWXDQKJFZOFCFT-CYBMUJFWSA-N 0 1 324.446 3.567 20 5 DHBDMN CC(C)c1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000488367670 1036986627 /nfs/dbraw/zinc/98/66/27/1036986627.db2.gz PRVRMAGXNDEDMJ-ZDUSSCGKSA-N 0 1 308.447 3.903 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000193903093 1037307608 /nfs/dbraw/zinc/30/76/08/1037307608.db2.gz IAWIKFPDNVXOPF-VXGBXAGGSA-N 0 1 315.329 3.915 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000490402605 1037708843 /nfs/dbraw/zinc/70/88/43/1037708843.db2.gz QTJPXDCYPJEEOG-OAHLLOKOSA-N 0 1 300.333 3.551 20 5 DHBDMN CCN(CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491150101 1037925850 /nfs/dbraw/zinc/92/58/50/1037925850.db2.gz UYOWGBKPYXJPSB-UHFFFAOYSA-N 0 1 308.378 3.860 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nc2ncccc2s1 ZINC001189913003 1038231076 /nfs/dbraw/zinc/23/10/76/1038231076.db2.gz RQIIJBVKWZVFAR-UHFFFAOYSA-N 0 1 319.367 3.597 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](C)c2ccccc21 ZINC000588953981 1038417399 /nfs/dbraw/zinc/41/73/99/1038417399.db2.gz RTFKIXLBVATVAY-SJKOYZFVSA-N 0 1 312.369 3.942 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CC1CCC(F)(F)CC1)CC2 ZINC001191520195 1038512758 /nfs/dbraw/zinc/51/27/58/1038512758.db2.gz FDZLWPYMSOACKQ-UHFFFAOYSA-N 0 1 310.344 3.778 20 5 DHBDMN CN(CCC(C)(C)C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592144540 1039138167 /nfs/dbraw/zinc/13/81/67/1039138167.db2.gz MBZSPZIPEVCXKU-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC2(c3cccc(F)c3)CCC2)cc1 ZINC000592145146 1039138814 /nfs/dbraw/zinc/13/88/14/1039138814.db2.gz PEHLOCINWYRVQU-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(C)(CC(F)F)C1 ZINC000592522915 1039595733 /nfs/dbraw/zinc/59/57/33/1039595733.db2.gz IBWFVHOSMTXEEP-SDQBBNPISA-N 0 1 310.344 3.975 20 5 DHBDMN COc1cccc(C2(NCc3cccc([N+](=O)[O-])c3)CCC2)c1 ZINC000594996480 1040011614 /nfs/dbraw/zinc/01/16/14/1040011614.db2.gz CGWDFBYZEJLAPJ-UHFFFAOYSA-N 0 1 312.369 3.772 20 5 DHBDMN CC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1csc(C)c1 ZINC000592900868 1040025316 /nfs/dbraw/zinc/02/53/16/1040025316.db2.gz IYMXFGGBLXDHEW-CQSZACIVSA-N 0 1 320.370 3.551 20 5 DHBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000595288972 1040092295 /nfs/dbraw/zinc/09/22/95/1040092295.db2.gz CTTUMZNBQGIQSC-INIZCTEOSA-N 0 1 300.333 3.853 20 5 DHBDMN Cc1noc(CN(CCc2ccccc2)CC(C)C)c1[N+](=O)[O-] ZINC000595293730 1040093129 /nfs/dbraw/zinc/09/31/29/1040093129.db2.gz FPOQQZIZUNUEDJ-UHFFFAOYSA-N 0 1 317.389 3.592 20 5 DHBDMN Cc1noc(CN2CCC[C@H]2c2cc(C)ccc2C)c1[N+](=O)[O-] ZINC000595348922 1040104318 /nfs/dbraw/zinc/10/43/18/1040104318.db2.gz WMZCJRUHFLCPSJ-HNNXBMFYSA-N 0 1 315.373 3.845 20 5 DHBDMN CCCO[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312950 1040105616 /nfs/dbraw/zinc/10/56/16/1040105616.db2.gz QAEHWMVQNSIZAK-HNNXBMFYSA-N 0 1 310.369 3.515 20 5 DHBDMN CC[C@@H](CN(CC)Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595448152 1040140990 /nfs/dbraw/zinc/14/09/90/1040140990.db2.gz JQIQTMKHPFREQC-AWEZNQCLSA-N 0 1 317.389 3.907 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](c2ccncc2)C1 ZINC000595488989 1040142583 /nfs/dbraw/zinc/14/25/83/1040142583.db2.gz MTNVHUDPMWSPOD-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000602441528 1041036301 /nfs/dbraw/zinc/03/63/01/1041036301.db2.gz OMLGSKAZLPCIFO-NSHDSACASA-N 0 1 320.336 3.551 20 5 DHBDMN C[C@@H](C1CC1)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602444231 1041037252 /nfs/dbraw/zinc/03/72/52/1041037252.db2.gz ZLXZGMBCRKKJJQ-ZETCQYMHSA-N 0 1 319.224 3.649 20 5 DHBDMN C[C@H](Cc1ccsc1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519215 1041064820 /nfs/dbraw/zinc/06/48/20/1041064820.db2.gz VJIWHPHYRSHFDR-SNVBAGLBSA-N 0 1 317.370 3.518 20 5 DHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCC(F)(F)F ZINC000602562657 1041097131 /nfs/dbraw/zinc/09/71/31/1041097131.db2.gz VSABIIJHENIVND-UHFFFAOYSA-N 0 1 316.201 3.656 20 5 DHBDMN CCC(CC)[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1cccs1 ZINC000602803681 1041226071 /nfs/dbraw/zinc/22/60/71/1041226071.db2.gz ZXFOIBRGPFQCAO-AWEZNQCLSA-N 0 1 322.434 3.657 20 5 DHBDMN Cc1ccc(CN2CCC(OC3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000092758706 185338526 /nfs/dbraw/zinc/33/85/26/185338526.db2.gz DJLKWGPABSMBOG-UHFFFAOYSA-N 0 1 318.417 3.827 20 5 DHBDMN CC(C)(CO)[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289324158 131374255 /nfs/dbraw/zinc/37/42/55/131374255.db2.gz KHPQIZKEQJRYGT-OAHLLOKOSA-N 0 1 320.414 3.506 20 5 DHBDMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000297217615 132004902 /nfs/dbraw/zinc/00/49/02/132004902.db2.gz HBUNIXDHAMXPBG-NWDGAFQWSA-N 0 1 316.357 3.721 20 5 DHBDMN Cc1c(CN2CCC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000298723252 132075379 /nfs/dbraw/zinc/07/53/79/132075379.db2.gz LVRJRXSRYMKTOD-LBPRGKRZSA-N 0 1 302.296 3.678 20 5 DHBDMN Cc1cc(Nc2ncc(Cl)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000543189539 435648623 /nfs/dbraw/zinc/64/86/23/435648623.db2.gz RTNILIAJWHJHNQ-VIFPVBQESA-N 0 1 321.768 3.863 20 5 DHBDMN COC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413279 332829950 /nfs/dbraw/zinc/82/99/50/332829950.db2.gz BPLIRVSYJAZFHL-CXAGYDPISA-N 0 1 300.358 3.633 20 5 DHBDMN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000089903679 332079741 /nfs/dbraw/zinc/07/97/41/332079741.db2.gz IQUVDWSOQOFVKT-CHWSQXEVSA-N 0 1 315.373 3.870 20 5 DHBDMN Cc1cc(NCc2nccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181454868 333030347 /nfs/dbraw/zinc/03/03/47/333030347.db2.gz IKBSVPODEZIYHL-UHFFFAOYSA-N 0 1 300.343 3.520 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000297066713 334239190 /nfs/dbraw/zinc/23/91/90/334239190.db2.gz WDLGQNLDGVIEEM-AWEZNQCLSA-N 0 1 317.776 3.810 20 5 DHBDMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993937 334367320 /nfs/dbraw/zinc/36/73/20/334367320.db2.gz QIKZJTRWKPRFSZ-WMLDXEAASA-N 0 1 314.385 3.596 20 5 DHBDMN CC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000344483904 335253034 /nfs/dbraw/zinc/25/30/34/335253034.db2.gz UMMMGQWRRPXKLN-OAHLLOKOSA-N 0 1 322.311 3.820 20 5 DHBDMN CCn1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000532220524 335917046 /nfs/dbraw/zinc/91/70/46/335917046.db2.gz XPBFKTPHSVAUAN-LBPRGKRZSA-N 0 1 316.405 3.587 20 5 DHBDMN Cc1ccc(CN(C)Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000583661267 336035397 /nfs/dbraw/zinc/03/53/97/336035397.db2.gz IIHXMMPNMXXSDW-UHFFFAOYSA-N 0 1 313.401 3.601 20 5 DHBDMN COc1cc(CN(C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000351978405 336185125 /nfs/dbraw/zinc/18/51/25/336185125.db2.gz SDICGDRMRDMFQX-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN Cc1ccc(NC[C@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000301460068 336308242 /nfs/dbraw/zinc/30/82/42/336308242.db2.gz YQZAKOAHAHSXPL-MRXNPFEDSA-N 0 1 315.373 3.745 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(c1ccnc3cc(F)ccc31)CC2 ZINC000301568656 336315533 /nfs/dbraw/zinc/31/55/33/336315533.db2.gz NITWFJWEPQNKPS-UHFFFAOYSA-N 0 1 323.327 3.845 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NCCc2nc3ccc(F)cc3[nH]2)c1 ZINC000301580967 336316226 /nfs/dbraw/zinc/31/62/26/336316226.db2.gz SXJPSYMSCGPWMX-UHFFFAOYSA-N 0 1 314.320 3.573 20 5 DHBDMN Cc1cccc2nc(CNc3c(F)cc([N+](=O)[O-])cc3F)[nH]c21 ZINC000301871169 336335449 /nfs/dbraw/zinc/33/54/49/336335449.db2.gz HILCSMDWFLHOKE-UHFFFAOYSA-N 0 1 318.283 3.670 20 5 DHBDMN CN(C)Cc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1F ZINC000301891841 336336567 /nfs/dbraw/zinc/33/65/67/336336567.db2.gz RRLVPZPEKLZWDY-UHFFFAOYSA-N 0 1 321.327 3.547 20 5 DHBDMN Cc1cc(NCc2ncccc2F)c2cc([N+](=O)[O-])ccc2n1 ZINC000302107865 336348867 /nfs/dbraw/zinc/34/88/67/336348867.db2.gz YFRBOVOKYZOFOI-UHFFFAOYSA-N 0 1 312.304 3.598 20 5 DHBDMN Cc1c([C@H](C)N[C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000359219736 336663520 /nfs/dbraw/zinc/66/35/20/336663520.db2.gz BXSFDPALIRAWKK-RYUDHWBXSA-N 0 1 303.337 3.849 20 5 DHBDMN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360687714 336718840 /nfs/dbraw/zinc/71/88/40/336718840.db2.gz GFGPIXVHDSHSRA-AAEUAGOBSA-N 0 1 320.389 3.587 20 5 DHBDMN CCCCOC1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362456429 336798334 /nfs/dbraw/zinc/79/83/34/336798334.db2.gz VRWAAXLNEKSDAZ-AWEZNQCLSA-N 0 1 306.406 3.937 20 5 DHBDMN Cc1cccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000582762744 337138210 /nfs/dbraw/zinc/13/82/10/337138210.db2.gz KLDDVSKKUXSHJY-QGZVFWFLSA-N 0 1 311.385 3.810 20 5 DHBDMN COc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c(F)c1 ZINC000571776334 337576444 /nfs/dbraw/zinc/57/64/44/337576444.db2.gz YIRCWPAIVKNVFC-MRXNPFEDSA-N 0 1 316.332 3.520 20 5 DHBDMN COc1ccc(C2(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000537420009 337937505 /nfs/dbraw/zinc/93/75/05/337937505.db2.gz IUARNSRHBTYEAF-ZDUSSCGKSA-N 0 1 312.369 3.943 20 5 DHBDMN COc1ccc(C)cc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000061556281 337945125 /nfs/dbraw/zinc/94/51/25/337945125.db2.gz SSGWAYRKWGMSFV-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000088520094 338006834 /nfs/dbraw/zinc/00/68/34/338006834.db2.gz ZZMDRXMERCILRC-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000428452089 338052304 /nfs/dbraw/zinc/05/23/04/338052304.db2.gz JDEOBPAFFYHDKW-GWCFXTLKSA-N 0 1 312.316 3.571 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1ccccc1 ZINC000430221456 338102068 /nfs/dbraw/zinc/10/20/68/338102068.db2.gz RVIFGEAPLYTBBN-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCCc3c(F)cccc32)cs1 ZINC000449347070 338615795 /nfs/dbraw/zinc/61/57/95/338615795.db2.gz BEGZYDPQRMZDCK-AWEZNQCLSA-N 0 1 306.362 3.963 20 5 DHBDMN CCO[C@@H]1CCCC[C@H]1NCc1c(Cl)cccc1[N+](=O)[O-] ZINC000452052222 338752192 /nfs/dbraw/zinc/75/21/92/338752192.db2.gz MXTPZCANAQCFHT-UKRRQHHQSA-N 0 1 312.797 3.686 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cl)cn1 ZINC000468590931 339266972 /nfs/dbraw/zinc/26/69/72/339266972.db2.gz XVCHBJJBHCLPDO-GHXNOFRVSA-N 0 1 317.776 3.836 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3c(F)cccc3F)C2)cc1 ZINC000469449356 339289797 /nfs/dbraw/zinc/28/97/97/339289797.db2.gz AZLVPTVLYHUOTH-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN Cc1c(CN2CCCC[C@H]2c2cccn2C)cccc1[N+](=O)[O-] ZINC000472341820 339370319 /nfs/dbraw/zinc/37/03/19/339370319.db2.gz SCEIHLHKVDZLRC-SFHVURJKSA-N 0 1 313.401 3.969 20 5 DHBDMN Cc1c(C(=O)Nc2cc(F)cc(Cl)c2O)cccc1[N+](=O)[O-] ZINC000474426317 339414006 /nfs/dbraw/zinc/41/40/06/339414006.db2.gz JKSAQBIRMVUNKW-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN CCCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000476913352 339482956 /nfs/dbraw/zinc/48/29/56/339482956.db2.gz ITKDQBURIYMXRC-UHFFFAOYSA-N 0 1 314.341 3.747 20 5 DHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cscn1 ZINC000504893151 340154900 /nfs/dbraw/zinc/15/49/00/340154900.db2.gz CJGUJZMEINHYJS-LLVKDONJSA-N 0 1 323.443 3.712 20 5 DHBDMN CCOc1ccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000505705633 340175343 /nfs/dbraw/zinc/17/53/43/340175343.db2.gz KFADAHDMPRVHNO-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](Cc3ccccc3)C2)cs1 ZINC000507668109 340227897 /nfs/dbraw/zinc/22/78/97/340227897.db2.gz GNKSLJBKYWDIRK-CQSZACIVSA-N 0 1 302.399 3.721 20 5 DHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC000511106466 340320895 /nfs/dbraw/zinc/32/08/95/340320895.db2.gz MBTJKXSNYGACAJ-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1F ZINC000511106466 340320896 /nfs/dbraw/zinc/32/08/96/340320896.db2.gz MBTJKXSNYGACAJ-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN Cc1cc(N2CCC(F)(F)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000517063950 340463009 /nfs/dbraw/zinc/46/30/09/340463009.db2.gz VEFIOZMFGUODKQ-SNVBAGLBSA-N 0 1 321.327 3.933 20 5 DHBDMN C[C@@]1(NCc2csc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000538708083 340839025 /nfs/dbraw/zinc/83/90/25/340839025.db2.gz MQSFRJVZLUKQNW-MRXNPFEDSA-N 0 1 302.399 3.998 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCC[C@H]2F)o1 ZINC000549938331 341307520 /nfs/dbraw/zinc/30/75/20/341307520.db2.gz WCYRBPLHXKVIHG-KGLIPLIRSA-N 0 1 304.321 3.835 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC(OC2CCCC2)CC1 ZINC000121114802 518203105 /nfs/dbraw/zinc/20/31/05/518203105.db2.gz QDVSDBIVXJAJTM-UHFFFAOYSA-N 0 1 304.390 3.518 20 5 DHBDMN CCCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173401953 520374076 /nfs/dbraw/zinc/37/40/76/520374076.db2.gz RAHLBRWESSPTLX-CYBMUJFWSA-N 0 1 315.373 3.629 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000152511765 521223261 /nfs/dbraw/zinc/22/32/61/521223261.db2.gz JSFSKTVCEGYSCB-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN CCC1(C)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000353129951 521678173 /nfs/dbraw/zinc/67/81/73/521678173.db2.gz VKEFWXCBMYBMEG-UHFFFAOYSA-N 0 1 322.405 3.624 20 5 DHBDMN CCc1noc(CC)c1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000166981513 522896931 /nfs/dbraw/zinc/89/69/31/522896931.db2.gz CMVPUPURGXKUBR-OAHLLOKOSA-N 0 1 317.389 3.949 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000161625019 522916262 /nfs/dbraw/zinc/91/62/62/522916262.db2.gz XXCFKZYRDBKMLK-MEDUHNTESA-N 0 1 303.337 3.931 20 5 DHBDMN C[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124289343 524260534 /nfs/dbraw/zinc/26/05/34/524260534.db2.gz CMTQVPUHGJHWAY-LLVKDONJSA-N 0 1 303.387 3.703 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000180024255 526089594 /nfs/dbraw/zinc/08/95/94/526089594.db2.gz NFUZUIQOBOLGGL-VIFPVBQESA-N 0 1 304.375 3.752 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000180024255 526089603 /nfs/dbraw/zinc/08/96/03/526089603.db2.gz NFUZUIQOBOLGGL-VIFPVBQESA-N 0 1 304.375 3.752 20 5 DHBDMN Cc1nc([C@H]2CCCN2CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000189786255 527080002 /nfs/dbraw/zinc/08/00/02/527080002.db2.gz OGPDRCLLAIQKFT-MRXNPFEDSA-N 0 1 317.414 3.739 20 5 DHBDMN COCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518815 536810139 /nfs/dbraw/zinc/81/01/39/536810139.db2.gz HLLGEQIYJSYUJT-UKRRQHHQSA-N 0 1 318.373 3.925 20 5 DHBDMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000289333198 537022452 /nfs/dbraw/zinc/02/24/52/537022452.db2.gz VYSRUXJPLQUPDG-HNNXBMFYSA-N 0 1 316.332 3.520 20 5 DHBDMN COc1ncc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000284513511 537141603 /nfs/dbraw/zinc/14/16/03/537141603.db2.gz WFYCHLOQEHLXOW-SNVBAGLBSA-N 0 1 321.764 3.503 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263038490 962158493 /nfs/dbraw/zinc/15/84/93/962158493.db2.gz CBTYJTFFSBFBEM-ZIAGYGMSSA-N 0 1 320.389 3.541 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCC1(C(F)(F)F)CC1 ZINC000894418270 1013351808 /nfs/dbraw/zinc/35/18/08/1013351808.db2.gz CFMWMJGZLFMBSG-UHFFFAOYSA-N 0 1 308.687 3.680 20 5 DHBDMN O=[N+]([O-])c1cc(Nc2ccc(-c3ccncn3)cc2)ccc1O ZINC001210399315 1013833088 /nfs/dbraw/zinc/83/30/88/1013833088.db2.gz VTYGCAOLBILEMP-UHFFFAOYSA-N 0 1 308.297 3.501 20 5 DHBDMN CCC[C@H](NCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000071212631 1014120735 /nfs/dbraw/zinc/12/07/35/1014120735.db2.gz JOLDLASOVGBJPK-AWEZNQCLSA-N 0 1 305.403 3.991 20 5 DHBDMN CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593736702 974985346 /nfs/dbraw/zinc/98/53/46/974985346.db2.gz URQSVKSNYCXJKS-RYUDHWBXSA-N 0 1 320.389 3.692 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000772954942 1032101767 /nfs/dbraw/zinc/10/17/67/1032101767.db2.gz ZKBAUDBICDXMPJ-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN CCOc1ccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000610575374 1014852993 /nfs/dbraw/zinc/85/29/93/1014852993.db2.gz VLQIMJWPYYAHFZ-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN Cc1cccnc1[C@H](NCc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000276307233 1014930308 /nfs/dbraw/zinc/93/03/08/1014930308.db2.gz LGXQORKCKRLYRY-MRXNPFEDSA-N 0 1 317.364 3.924 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3nccs3)C2)cc1Cl ZINC000895580062 1015215268 /nfs/dbraw/zinc/21/52/68/1015215268.db2.gz FBQKVOYPGCYEDS-NSHDSACASA-N 0 1 323.805 3.694 20 5 DHBDMN CCOc1cccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000126107581 1015464105 /nfs/dbraw/zinc/46/41/05/1015464105.db2.gz AFFRSICHWBWSKL-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883044 1015789250 /nfs/dbraw/zinc/78/92/50/1015789250.db2.gz UEUSKWJDUKNGRF-XHDPSFHLSA-N 0 1 316.405 3.747 20 5 DHBDMN CCO[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000610930438 1015944671 /nfs/dbraw/zinc/94/46/71/1015944671.db2.gz CHCOCWDBVVIWGB-OAHLLOKOSA-N 0 1 306.406 3.719 20 5 DHBDMN C[C@H](c1ccc(F)cc1)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338890606 1016739171 /nfs/dbraw/zinc/73/91/71/1016739171.db2.gz UGYYPCVQICBCIX-LLVKDONJSA-N 0 1 304.321 3.633 20 5 DHBDMN COCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000127099595 1016910671 /nfs/dbraw/zinc/91/06/71/1016910671.db2.gz LUAIQHKRFREIAM-UHFFFAOYSA-N 0 1 324.764 3.586 20 5 DHBDMN COCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000127099595 1016910683 /nfs/dbraw/zinc/91/06/83/1016910683.db2.gz LUAIQHKRFREIAM-UHFFFAOYSA-N 0 1 324.764 3.586 20 5 DHBDMN COc1cc(CN2CC[C@@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190313 1032267334 /nfs/dbraw/zinc/26/73/34/1032267334.db2.gz LPHUUJBJZBXHEI-YVEFUNNKSA-N 0 1 322.380 3.755 20 5 DHBDMN O=C(N[C@@H]1CCCC12CCCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC001147253994 1032290469 /nfs/dbraw/zinc/29/04/69/1032290469.db2.gz CVVSBDOYKCBHHB-OAHLLOKOSA-N 0 1 318.373 3.533 20 5 DHBDMN CCOc1ccc([C@H](C)N[C@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121475 1032564855 /nfs/dbraw/zinc/56/48/55/1032564855.db2.gz RIIXFKCHTVGWNH-NWDGAFQWSA-N 0 1 303.362 3.733 20 5 DHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000424314216 1011977343 /nfs/dbraw/zinc/97/73/43/1011977343.db2.gz CAKSEBLNDYYAIK-BVGQSLNGSA-N 0 1 314.360 3.753 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1COCc2ccccc21 ZINC000515221757 1012587023 /nfs/dbraw/zinc/58/70/23/1012587023.db2.gz OSSQGYPWDXYMMB-UGSOOPFHSA-N 0 1 312.369 3.825 20 5 DHBDMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475287028 1017118331 /nfs/dbraw/zinc/11/83/31/1017118331.db2.gz MMVJRIWNPFXZTI-CMPLNLGQSA-N 0 1 302.296 3.676 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H](c1ccccc1)C1CC1 ZINC000179102942 1017509034 /nfs/dbraw/zinc/50/90/34/1017509034.db2.gz VVQLWUJRBMEKFM-KRWDZBQOSA-N 0 1 300.333 3.975 20 5 DHBDMN CCN(CCc1ccccc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444583313 1017583952 /nfs/dbraw/zinc/58/39/52/1017583952.db2.gz NJJVVQDECIHSHW-UHFFFAOYSA-N 0 1 324.384 3.536 20 5 DHBDMN CCC(C)(C)[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657202 1017609775 /nfs/dbraw/zinc/60/97/75/1017609775.db2.gz BOTHTCMKHXKLKU-HNNXBMFYSA-N 0 1 316.405 3.872 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1c2ccccc2C[C@H]1C ZINC000178729155 1017895185 /nfs/dbraw/zinc/89/51/85/1017895185.db2.gz KHTXQLNXDPYVSV-KZULUSFZSA-N 0 1 312.369 3.627 20 5 DHBDMN Cc1cc(C(=O)Nc2cccc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000172355421 1018037916 /nfs/dbraw/zinc/03/79/16/1018037916.db2.gz JTDRFXRZWOSFBP-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000921818116 1018900786 /nfs/dbraw/zinc/90/07/86/1018900786.db2.gz MYJLZQWGCKWXOA-CYBMUJFWSA-N 0 1 314.389 3.676 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000921818120 1018901433 /nfs/dbraw/zinc/90/14/33/1018901433.db2.gz MYJLZQWGCKWXOA-ZDUSSCGKSA-N 0 1 314.389 3.676 20 5 DHBDMN CC[C@](C)(NC/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000255069162 1019266500 /nfs/dbraw/zinc/26/65/00/1019266500.db2.gz JUKIUEDSRYFKFX-IOBAAEILSA-N 0 1 317.414 3.980 20 5 DHBDMN C[C@H]1c2ccc(F)cc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000611273709 1019432461 /nfs/dbraw/zinc/43/24/61/1019432461.db2.gz WOIYVPMLAZTCQQ-NSHDSACASA-N 0 1 316.332 3.559 20 5 DHBDMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946801 1019489443 /nfs/dbraw/zinc/48/94/43/1019489443.db2.gz WISRVNVFIADPBF-NWDGAFQWSA-N 0 1 316.357 3.721 20 5 DHBDMN Cc1cc(CN[C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000611519636 1019509355 /nfs/dbraw/zinc/50/93/55/1019509355.db2.gz DGZDEVZUYBIOJM-GOSISDBHSA-N 0 1 322.368 3.506 20 5 DHBDMN COc1cc(CN(CCC(C)C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000349942593 1019865061 /nfs/dbraw/zinc/86/50/61/1019865061.db2.gz BCCMVLGJFNYPNJ-UHFFFAOYSA-N 0 1 322.405 3.623 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2noc(-c3cc(Cl)ccc3O)n2)cc1 ZINC000315969144 1019889642 /nfs/dbraw/zinc/88/96/42/1019889642.db2.gz FDTQGHVGZFFLQX-UHFFFAOYSA-N 0 1 317.688 3.671 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000155077581 1020186946 /nfs/dbraw/zinc/18/69/46/1020186946.db2.gz SYHLQFOIDYNBGW-QGZVFWFLSA-N 0 1 311.385 3.671 20 5 DHBDMN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732569100 1020254949 /nfs/dbraw/zinc/25/49/49/1020254949.db2.gz WNXZYBYGVJKRDU-MRVPVSSYSA-N 0 1 317.736 3.693 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000732819811 1020288101 /nfs/dbraw/zinc/28/81/01/1020288101.db2.gz AZKYAORHWOLNSQ-ZDUSSCGKSA-N 0 1 302.378 3.531 20 5 DHBDMN CC[C@@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC ZINC000410683196 1020451583 /nfs/dbraw/zinc/45/15/83/1020451583.db2.gz KRJVSVLSSYCMOL-PHIMTYICSA-N 0 1 318.377 3.510 20 5 DHBDMN Cc1cc2cc(CNCc3ccc([N+](=O)[O-])cc3F)ccc2[nH]1 ZINC000353124186 1020598511 /nfs/dbraw/zinc/59/85/11/1020598511.db2.gz YKRCSNNODGNWLY-UHFFFAOYSA-N 0 1 313.332 3.813 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCSC3(CCC3)CC2)c(F)c1 ZINC000411869577 1020624020 /nfs/dbraw/zinc/62/40/20/1020624020.db2.gz NBUQKZDNUAKHSN-UHFFFAOYSA-N 0 1 310.394 3.596 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](c3ccco3)C2)c1 ZINC000735493847 1020744286 /nfs/dbraw/zinc/74/42/86/1020744286.db2.gz RNQUILNTESNGAC-NSHDSACASA-N 0 1 306.749 3.831 20 5 DHBDMN C[C@H]1CC[C@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580629844 1020850378 /nfs/dbraw/zinc/85/03/78/1020850378.db2.gz GIHGDOFASLYVNA-UWVGGRQHSA-N 0 1 302.296 3.986 20 5 DHBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000125712934 1032936731 /nfs/dbraw/zinc/93/67/31/1032936731.db2.gz LNDXSKIUWWCVKI-GQCTYLIASA-N 0 1 317.776 3.788 20 5 DHBDMN COc1ccc(CN(C)Cc2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000738309694 1020872248 /nfs/dbraw/zinc/87/22/48/1020872248.db2.gz QGXKPIARTFGFJC-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN COc1cnccc1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188780969 1021173545 /nfs/dbraw/zinc/17/35/45/1021173545.db2.gz JXTCHMQOFAONSC-STQMWFEESA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1cncc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000181535178 1021236836 /nfs/dbraw/zinc/23/68/36/1021236836.db2.gz KAYMPBCASIAWNH-UHFFFAOYSA-N 0 1 308.341 3.767 20 5 DHBDMN C[C@@H]1CC(C)(C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412033162 1021250309 /nfs/dbraw/zinc/25/03/09/1021250309.db2.gz CMSQOYLNZNGMSL-GFCCVEGCSA-N 0 1 315.373 3.870 20 5 DHBDMN Cc1c([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528196 1021583287 /nfs/dbraw/zinc/58/32/87/1021583287.db2.gz JKSYEKMFVGRYEH-XZOAIXRZSA-N 0 1 312.369 3.732 20 5 DHBDMN CSCC[C@@H](C)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174868515 1021624534 /nfs/dbraw/zinc/62/45/34/1021624534.db2.gz LLBJAWHLRZSHEX-SNVBAGLBSA-N 0 1 302.827 3.822 20 5 DHBDMN CC[C@@H](CSC)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119777 1021659757 /nfs/dbraw/zinc/65/97/57/1021659757.db2.gz GVUARSCNRJHOOM-NSHDSACASA-N 0 1 302.827 3.822 20 5 DHBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001167717564 1021723070 /nfs/dbraw/zinc/72/30/70/1021723070.db2.gz XFCLTBQXISNZPD-UHFFFAOYSA-N 0 1 306.749 3.980 20 5 DHBDMN CC1(C)Cc2cc(CNCc3ccccc3[N+](=O)[O-])ccc2O1 ZINC000236763355 1021766134 /nfs/dbraw/zinc/76/61/34/1021766134.db2.gz NOFKDLVYTWLWED-UHFFFAOYSA-N 0 1 312.369 3.598 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000070755088 1021808741 /nfs/dbraw/zinc/80/87/41/1021808741.db2.gz KQZPLZGFFDJXIS-UHFFFAOYSA-N 0 1 300.333 3.899 20 5 DHBDMN CC(C)c1ccc(CN2CC(C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000619726614 1021850850 /nfs/dbraw/zinc/85/08/50/1021850850.db2.gz PVWGHKJEXLGAJG-UHFFFAOYSA-N 0 1 318.417 3.577 20 5 DHBDMN Cc1nn(CN(C)C2CCC(C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000921045946 1022208525 /nfs/dbraw/zinc/20/85/25/1022208525.db2.gz JPGMYOJCIDFXTO-UHFFFAOYSA-N 0 1 322.453 3.902 20 5 DHBDMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038913 1022223125 /nfs/dbraw/zinc/22/31/25/1022223125.db2.gz LGCIPCDGLCNJGR-YLFCFFPRSA-N 0 1 312.454 3.695 20 5 DHBDMN CCO[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453597 1022290584 /nfs/dbraw/zinc/29/05/84/1022290584.db2.gz PMQAWMMXZNEKEC-CVEARBPZSA-N 0 1 322.380 3.513 20 5 DHBDMN CN(C)C(=O)C[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC000162494109 1022871166 /nfs/dbraw/zinc/87/11/66/1022871166.db2.gz JVGYJXSBRZAVKH-UHFFFAOYSA-N 0 1 306.409 3.513 20 5 DHBDMN CSC[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000312726428 1023132721 /nfs/dbraw/zinc/13/27/21/1023132721.db2.gz RSFDPLAJZCNIAL-LBPRGKRZSA-N 0 1 314.838 3.823 20 5 DHBDMN Cc1ccc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])c1 ZINC000770186707 1023282672 /nfs/dbraw/zinc/28/26/72/1023282672.db2.gz NGWMJONUMHVDEI-UHFFFAOYSA-N 0 1 302.378 3.560 20 5 DHBDMN C[C@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000770281763 1023289881 /nfs/dbraw/zinc/28/98/81/1023289881.db2.gz ADCYFHGBLUXXPR-UWVGGRQHSA-N 0 1 313.195 3.588 20 5 DHBDMN COCc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000173401818 1033125948 /nfs/dbraw/zinc/12/59/48/1033125948.db2.gz AXCWMVBXNUGMIF-LBPRGKRZSA-N 0 1 318.348 3.731 20 5 DHBDMN COCc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1F ZINC000173401828 1033126592 /nfs/dbraw/zinc/12/65/92/1033126592.db2.gz AXCWMVBXNUGMIF-GFCCVEGCSA-N 0 1 318.348 3.731 20 5 DHBDMN CC(C)[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000538728387 1033150304 /nfs/dbraw/zinc/15/03/04/1033150304.db2.gz QPSOXRQIFXOILV-WRLNGNIRSA-N 0 1 306.431 3.681 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1F ZINC000788487018 1023893962 /nfs/dbraw/zinc/89/39/62/1023893962.db2.gz BCFCSAIJRVFGET-CABCVRRESA-N 0 1 310.394 3.594 20 5 DHBDMN C[C@@H](NCc1ccc(Cl)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647619 1023914334 /nfs/dbraw/zinc/91/43/34/1023914334.db2.gz HTBXQTXNTQUTPN-MRVPVSSYSA-N 0 1 311.794 3.743 20 5 DHBDMN Cc1c(CN[C@H]2CCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000790696498 1024358149 /nfs/dbraw/zinc/35/81/49/1024358149.db2.gz SWEOGWPKADRBCS-HNNXBMFYSA-N 0 1 316.332 3.656 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cnccc2C)cc1[N+](=O)[O-] ZINC000453318368 1024459560 /nfs/dbraw/zinc/45/95/60/1024459560.db2.gz BIPXQTVDVPAZPM-CYBMUJFWSA-N 0 1 315.373 3.548 20 5 DHBDMN Cc1c([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000271457820 1024512355 /nfs/dbraw/zinc/51/23/55/1024512355.db2.gz GZERDOZIKVAPDA-NWDGAFQWSA-N 0 1 317.393 3.557 20 5 DHBDMN C[C@]1(c2ccccc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000532293401 1024595099 /nfs/dbraw/zinc/59/50/99/1024595099.db2.gz UJARBAZKABICRI-INIZCTEOSA-N 0 1 302.399 3.820 20 5 DHBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n[nH]1 ZINC000756950219 1024650106 /nfs/dbraw/zinc/65/01/06/1024650106.db2.gz SJEICZMHSSEHSU-UHFFFAOYSA-N 0 1 314.267 3.511 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1c1cccnc1 ZINC000348931363 1024651380 /nfs/dbraw/zinc/65/13/80/1024651380.db2.gz AWHSAAVBERRQFX-IOMDMTNGSA-N 0 1 309.369 3.840 20 5 DHBDMN CC1(C)C[C@H](NCc2cccc(O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279048166 1024700595 /nfs/dbraw/zinc/70/05/95/1024700595.db2.gz JZBHHQHYIQWYOL-KRWDZBQOSA-N 0 1 312.369 3.813 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000051315981 1024942457 /nfs/dbraw/zinc/94/24/57/1024942457.db2.gz SAUAUWYHXTXFIX-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)CC2CCCC2)C2CC2)cc1 ZINC000354727006 1025492817 /nfs/dbraw/zinc/49/28/17/1025492817.db2.gz GLLNYLCPJPLVOL-SFHVURJKSA-N 0 1 318.417 3.500 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805257875 1025566980 /nfs/dbraw/zinc/56/69/80/1025566980.db2.gz ABFCAMDGKHJVDR-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN COc1ccc(CN[C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000886363071 1025602185 /nfs/dbraw/zinc/60/21/85/1025602185.db2.gz ZCHMAHDRECSIHA-HNNXBMFYSA-N 0 1 316.332 3.520 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@]2(CCCOC2)C1 ZINC000355788057 1025837456 /nfs/dbraw/zinc/83/74/56/1025837456.db2.gz UIWBPCWOYSPRKM-INIZCTEOSA-N 0 1 324.808 3.641 20 5 DHBDMN COC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667906 1026062509 /nfs/dbraw/zinc/06/25/09/1026062509.db2.gz HCDLSAYRHOIMIY-RHSMWYFYSA-N 0 1 314.385 3.942 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OC2CCC2)CC1 ZINC000419286917 1026098809 /nfs/dbraw/zinc/09/88/09/1026098809.db2.gz PCBXLQAOVLJFPF-ZDUSSCGKSA-N 0 1 304.390 3.689 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289640450 1026111047 /nfs/dbraw/zinc/11/10/47/1026111047.db2.gz FOLGJPBOHMPOJX-UHOFOFEASA-N 0 1 304.390 3.545 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1c1ccncc1 ZINC000289649514 1026114442 /nfs/dbraw/zinc/11/44/42/1026114442.db2.gz CAXXHQPQAZVGGY-ZVVFDCPKSA-N 0 1 309.369 3.840 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000280423434 1026648595 /nfs/dbraw/zinc/64/85/95/1026648595.db2.gz ZHGJWGMBIMWOJV-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000420944729 1026886391 /nfs/dbraw/zinc/88/63/91/1026886391.db2.gz JVRYGNFIVPZKOF-LBPRGKRZSA-N 0 1 302.296 3.759 20 5 DHBDMN CCCCOCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476889 1027017205 /nfs/dbraw/zinc/01/72/05/1027017205.db2.gz VSJWFFGLINPVQO-UHFFFAOYSA-N 0 1 321.204 3.808 20 5 DHBDMN CSC[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362947644 1027457367 /nfs/dbraw/zinc/45/73/67/1027457367.db2.gz BQHCRGIFLASDKK-OAHLLOKOSA-N 0 1 324.446 3.709 20 5 DHBDMN Cc1c(CN2CCC=C(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000575822499 1027510473 /nfs/dbraw/zinc/51/04/73/1027510473.db2.gz ATCJCAIVVFDGEG-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN C[C@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576805949 1027663258 /nfs/dbraw/zinc/66/32/58/1027663258.db2.gz WNFJIWBVGOZDFW-UWVGGRQHSA-N 0 1 302.296 3.844 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccn3)C2)c(Cl)c1 ZINC000798965146 1027667561 /nfs/dbraw/zinc/66/75/61/1027667561.db2.gz OWGTUDJUBQNFBH-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN Cc1c([C@H]2CCC[N@@H+]2[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336646 1028169987 /nfs/dbraw/zinc/16/99/87/1028169987.db2.gz WKFCDNREJGLJBM-YVEFUNNKSA-N 0 1 314.389 3.535 20 5 DHBDMN Cc1c([C@H]2CCCN2[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336646 1028169991 /nfs/dbraw/zinc/16/99/91/1028169991.db2.gz WKFCDNREJGLJBM-YVEFUNNKSA-N 0 1 314.389 3.535 20 5 DHBDMN COCC[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374405 1028395200 /nfs/dbraw/zinc/39/52/00/1028395200.db2.gz REDLTHJSMWIBDK-CABCVRRESA-N 0 1 316.357 3.543 20 5 DHBDMN CCn1ccnc1[C@H](C)NC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449563760 1028807471 /nfs/dbraw/zinc/80/74/71/1028807471.db2.gz YGPFWIRFEDIBSE-UELRPHRMSA-N 0 1 314.389 3.565 20 5 DHBDMN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000042096667 1028893251 /nfs/dbraw/zinc/89/32/51/1028893251.db2.gz GRSNZHUIMRJPGY-HNNXBMFYSA-N 0 1 319.336 3.576 20 5 DHBDMN C[C@@H]1CC2(CCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000373019690 1028938272 /nfs/dbraw/zinc/93/82/72/1028938272.db2.gz ORLNJQRBWUETDA-LLVKDONJSA-N 0 1 301.346 3.501 20 5 DHBDMN Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000779316556 1029093387 /nfs/dbraw/zinc/09/33/87/1029093387.db2.gz DZUOCTLRMKACQR-SECBINFHSA-N 0 1 323.374 3.729 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nccs3)C2)cc1F ZINC000374774949 1029458187 /nfs/dbraw/zinc/45/81/87/1029458187.db2.gz HHKMCOBAMRXPPY-LBPRGKRZSA-N 0 1 321.377 3.570 20 5 DHBDMN Cc1ccc(CNCc2cnc(C3CCC3)s2)cc1[N+](=O)[O-] ZINC000865787933 1030024963 /nfs/dbraw/zinc/02/49/63/1030024963.db2.gz WFJIQWZIZMJTRH-UHFFFAOYSA-N 0 1 317.414 3.917 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000866539995 1030360197 /nfs/dbraw/zinc/36/01/97/1030360197.db2.gz IYPLEHCURPSDAZ-QGZVFWFLSA-N 0 1 312.369 3.776 20 5 DHBDMN Cc1c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)cnn1C(C)C ZINC000866541321 1030363398 /nfs/dbraw/zinc/36/33/98/1030363398.db2.gz YFCZRSOWVUFHML-ZDUSSCGKSA-N 0 1 316.405 3.840 20 5 DHBDMN COCc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000339076221 1030456569 /nfs/dbraw/zinc/45/65/69/1030456569.db2.gz YEAATPPEGNIANV-ZDUSSCGKSA-N 0 1 300.358 3.592 20 5 DHBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000824462774 1030567776 /nfs/dbraw/zinc/56/77/76/1030567776.db2.gz LQBOSIAGKHDYIM-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccc(F)nc3)C2)cc1 ZINC000824820613 1030649231 /nfs/dbraw/zinc/64/92/31/1030649231.db2.gz JFPITPJTIZCBGZ-HNNXBMFYSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559107291 1031126968 /nfs/dbraw/zinc/12/69/68/1031126968.db2.gz IHGBIYQNFSGAFI-SFHVURJKSA-N 0 1 312.369 3.946 20 5 DHBDMN CO[C@@](C)([C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080059 1031476905 /nfs/dbraw/zinc/47/69/05/1031476905.db2.gz SKIGOEITZGFNSC-GDLVEWKHSA-N 0 1 310.369 3.588 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872276901 1031572557 /nfs/dbraw/zinc/57/25/57/1031572557.db2.gz UCFMFSKICSDRQA-INIZCTEOSA-N 0 1 322.380 3.658 20 5 DHBDMN COc1c(C)cccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000873132723 1031719931 /nfs/dbraw/zinc/71/99/31/1031719931.db2.gz DDQCBWCCNXCGHD-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN COc1ccc2c(c1)CN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225174 1033603372 /nfs/dbraw/zinc/60/33/72/1033603372.db2.gz BVPQHZBUWPQNQY-CYBMUJFWSA-N 0 1 312.369 3.550 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000178530304 1034246735 /nfs/dbraw/zinc/24/67/35/1034246735.db2.gz OZSFLAKUZLREHZ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2cc(Cl)ccc21 ZINC000864028372 1034265171 /nfs/dbraw/zinc/26/51/71/1034265171.db2.gz UHWSZNVTSMZFPU-UHFFFAOYSA-N 0 1 304.733 3.517 20 5 DHBDMN Cc1cc(Nc2ccc3cc4ccc(N)cc4nc3c2)n(C)n1 ZINC001174824333 1034622278 /nfs/dbraw/zinc/62/22/78/1034622278.db2.gz NKSIMNRISKYCFF-UHFFFAOYSA-N 0 1 303.369 3.756 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000555378368 1034667711 /nfs/dbraw/zinc/66/77/11/1034667711.db2.gz QPRVRUIAMGZLRF-OAHLLOKOSA-N 0 1 318.760 3.901 20 5 DHBDMN COc1ccc(F)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000187588583 1034717320 /nfs/dbraw/zinc/71/73/20/1034717320.db2.gz XNADRSPYZRMUCU-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC(Cc2ccco2)C1 ZINC000600197668 1034803515 /nfs/dbraw/zinc/80/35/15/1034803515.db2.gz OSTCAFYDPHCVRI-ZSOIEALJSA-N 0 1 312.369 3.766 20 5 DHBDMN CC(C)N(CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000159906274 1035108690 /nfs/dbraw/zinc/10/86/90/1035108690.db2.gz LWQSGOCOSSCOAF-UHFFFAOYSA-N 0 1 323.393 3.644 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CCc3cc(Cl)ccc3C2)cc1 ZINC000484026274 1035313914 /nfs/dbraw/zinc/31/39/14/1035313914.db2.gz YTZUFSUGHDRMTI-UHFFFAOYSA-N 0 1 316.788 3.849 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000924798329 1035410381 /nfs/dbraw/zinc/41/03/81/1035410381.db2.gz MJZCLLDGAQDOMV-RYUDHWBXSA-N 0 1 314.341 3.735 20 5 DHBDMN COc1cc(CN(C)[C@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000485741571 1035929066 /nfs/dbraw/zinc/92/90/66/1035929066.db2.gz CQNHWZRLTZZNGI-LLVKDONJSA-N 0 1 306.387 3.858 20 5 DHBDMN COc1cc(CN2CCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000485748448 1035938944 /nfs/dbraw/zinc/93/89/44/1035938944.db2.gz XDLPWHMJYLIFAE-INIZCTEOSA-N 0 1 312.369 3.941 20 5 DHBDMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220541 1036017484 /nfs/dbraw/zinc/01/74/84/1036017484.db2.gz QDQNGCQZWZQZKA-JSGCOSHPSA-N 0 1 320.414 3.657 20 5 DHBDMN Cc1c(CN2CCC(c3ccco3)CC2)cccc1[N+](=O)[O-] ZINC000595616817 1036266857 /nfs/dbraw/zinc/26/68/57/1036266857.db2.gz DDJIJAPWWOFOFP-UHFFFAOYSA-N 0 1 300.358 3.876 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCc1ccsc1)CC2 ZINC000542104256 1036508735 /nfs/dbraw/zinc/50/87/35/1036508735.db2.gz CZUWHKBJYPKSSX-UHFFFAOYSA-N 0 1 302.399 3.647 20 5 DHBDMN COc1ccccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000271748061 1036511203 /nfs/dbraw/zinc/51/12/03/1036511203.db2.gz XZYKXPVHHSQWOS-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1ccc(OCCN(C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000487546553 1036669257 /nfs/dbraw/zinc/66/92/57/1036669257.db2.gz DBEGYPLWJZNXSF-OAHLLOKOSA-N 0 1 314.385 3.975 20 5 DHBDMN CC[C@@H](CN(CC)Cn1cc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000774701466 1036715347 /nfs/dbraw/zinc/71/53/47/1036715347.db2.gz JDQRCXSVRABTNR-HNNXBMFYSA-N 0 1 316.405 3.573 20 5 DHBDMN CCOc1cc(CN(C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000492357576 1036846660 /nfs/dbraw/zinc/84/66/60/1036846660.db2.gz OEESHIIKTWDEGA-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN COc1ccc(CNCc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000443965532 1036936642 /nfs/dbraw/zinc/93/66/42/1036936642.db2.gz AVHRGOQMEYAQKS-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CCC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774871188 1037130712 /nfs/dbraw/zinc/13/07/12/1037130712.db2.gz WHPHXEDGFHJLBA-UHFFFAOYSA-N 0 1 307.350 3.515 20 5 DHBDMN CCO[C@H](CNCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000194461618 1037503839 /nfs/dbraw/zinc/50/38/39/1037503839.db2.gz DYWUJJQJSJFOGX-CQSZACIVSA-N 0 1 306.387 3.524 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCS[C@@H](C)CC1 ZINC000494137764 1037651556 /nfs/dbraw/zinc/65/15/56/1037651556.db2.gz UCUFPOTZAXICNN-ZDUSSCGKSA-N 0 1 324.446 3.709 20 5 DHBDMN CCCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCCCO1 ZINC000491079263 1037896939 /nfs/dbraw/zinc/89/69/39/1037896939.db2.gz SJYOIOYJGIQSTJ-OAHLLOKOSA-N 0 1 310.369 3.515 20 5 DHBDMN CN(CCCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917053705 1038133414 /nfs/dbraw/zinc/13/34/14/1038133414.db2.gz APFBBTXMJVAMRM-UHFFFAOYSA-N 0 1 302.349 3.799 20 5 DHBDMN CC[C@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000571486339 1038146694 /nfs/dbraw/zinc/14/66/94/1038146694.db2.gz BEEABUGAZFBPJI-QZTJIDSGSA-N 0 1 314.385 3.699 20 5 DHBDMN CCCN(Cc1cn(C)nc1[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC001190582075 1038350052 /nfs/dbraw/zinc/35/00/52/1038350052.db2.gz OIJWXVREOSOORV-MRXNPFEDSA-N 0 1 316.405 3.692 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CCCC13CCOCC3)C2 ZINC001191350306 1038487428 /nfs/dbraw/zinc/48/74/28/1038487428.db2.gz JKQOXWOOMQHUGH-MRXNPFEDSA-N 0 1 316.401 3.507 20 5 DHBDMN CCOc1cc(CN2CCCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000599551899 1039209736 /nfs/dbraw/zinc/20/97/36/1039209736.db2.gz CFLAZDXWLIERKO-UHFFFAOYSA-N 0 1 314.332 3.615 20 5 DHBDMN COc1ccc(C(C)(C)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000599597528 1039226156 /nfs/dbraw/zinc/22/61/56/1039226156.db2.gz HHMJZIYLUNDUKM-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN C/C=C\C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599691856 1039259362 /nfs/dbraw/zinc/25/93/62/1039259362.db2.gz UAGJPOMHWDABDF-ZRMMWKCHSA-N 0 1 315.373 3.914 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000574128268 1039413204 /nfs/dbraw/zinc/41/32/04/1039413204.db2.gz PWORGKVDQPSZPP-GHMZBOCLSA-N 0 1 309.797 3.594 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000574128268 1039413210 /nfs/dbraw/zinc/41/32/10/1039413210.db2.gz PWORGKVDQPSZPP-GHMZBOCLSA-N 0 1 309.797 3.594 20 5 DHBDMN COc1ccccc1[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489971 1039792451 /nfs/dbraw/zinc/79/24/51/1039792451.db2.gz IITRKPDVHWCYPI-WBMJQRKESA-N 0 1 312.369 3.942 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cc(C)cs1 ZINC000595042230 1040045178 /nfs/dbraw/zinc/04/51/78/1040045178.db2.gz RFMOKMAHWJHEBJ-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN CC[C@@H](Cc1ccc(C)cc1)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595328611 1040100185 /nfs/dbraw/zinc/10/01/85/1040100185.db2.gz WOZAEHJDJIQOOQ-HNNXBMFYSA-N 0 1 317.389 3.653 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccon2)CC1 ZINC000595833773 1040268385 /nfs/dbraw/zinc/26/83/85/1040268385.db2.gz MLAPJQSLUODOCZ-LBPRGKRZSA-N 0 1 301.346 3.523 20 5 DHBDMN Cc1cc(NCc2ccc(F)c(CN(C)C)c2)c([N+](=O)[O-])s1 ZINC000596128090 1040309820 /nfs/dbraw/zinc/30/98/20/1040309820.db2.gz DDAWAIKSXDATGW-UHFFFAOYSA-N 0 1 323.393 3.778 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000173841345 1040438416 /nfs/dbraw/zinc/43/84/16/1040438416.db2.gz XCDIZHAATWPWHX-INIZCTEOSA-N 0 1 322.380 3.658 20 5 DHBDMN C[C@H](C1CC1)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602444230 1041035999 /nfs/dbraw/zinc/03/59/99/1041035999.db2.gz ZLXZGMBCRKKJJQ-SSDOTTSWSA-N 0 1 319.224 3.649 20 5 DHBDMN CC(C)(C)C1CC(NCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602673000 1041142196 /nfs/dbraw/zinc/14/21/96/1041142196.db2.gz AORXNQGQEXNEDR-UHFFFAOYSA-N 0 1 303.362 3.650 20 5 DHBDMN COc1cccc(C2(N[C@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000272176900 130005170 /nfs/dbraw/zinc/00/51/70/130005170.db2.gz FBMUAMKNHXNAJJ-CYBMUJFWSA-N 0 1 312.369 3.943 20 5 DHBDMN COCC[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000272645650 130050326 /nfs/dbraw/zinc/05/03/26/130050326.db2.gz ZXDAPYMMIXLJBK-SZTZYQKNSA-N 0 1 316.357 3.568 20 5 DHBDMN COCC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000273430640 130120576 /nfs/dbraw/zinc/12/05/76/130120576.db2.gz TZLFRVPURCBOEU-MRXNPFEDSA-N 0 1 318.373 3.672 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC=C(c2ccncc2)C1 ZINC000289532379 131393419 /nfs/dbraw/zinc/39/34/19/131393419.db2.gz HSRGHJJCGPEUTJ-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CF)o2)cc1 ZINC000569484406 332101398 /nfs/dbraw/zinc/10/13/98/332101398.db2.gz GWQSKHTUGJTYRW-AWEZNQCLSA-N 0 1 304.321 3.789 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3CF)o2)cc1 ZINC000569484406 332101400 /nfs/dbraw/zinc/10/14/00/332101400.db2.gz GWQSKHTUGJTYRW-AWEZNQCLSA-N 0 1 304.321 3.789 20 5 DHBDMN Cc1cc([C@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000559919340 332292932 /nfs/dbraw/zinc/29/29/32/332292932.db2.gz OFJLAUKLUUARQB-ZDUSSCGKSA-N 0 1 303.362 3.565 20 5 DHBDMN CCC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185860715 335154606 /nfs/dbraw/zinc/15/46/06/335154606.db2.gz KGOPDGHBFJNBFO-HNNXBMFYSA-N 0 1 320.389 3.616 20 5 DHBDMN C/C(=C\c1nc([C@H](N)CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624458 334045628 /nfs/dbraw/zinc/04/56/28/334045628.db2.gz VNRILOMPIUBMRQ-CFRMROPGSA-N 0 1 316.361 3.584 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3nc(Cl)ccc32)cc1 ZINC000297066716 334239229 /nfs/dbraw/zinc/23/92/29/334239229.db2.gz WDLGQNLDGVIEEM-CQSZACIVSA-N 0 1 317.776 3.810 20 5 DHBDMN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000340837701 334389079 /nfs/dbraw/zinc/38/90/79/334389079.db2.gz HMZMDABHHGRFDO-UHFFFAOYSA-N 0 1 301.346 3.624 20 5 DHBDMN Cc1ncsc1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314142 334705306 /nfs/dbraw/zinc/70/53/06/334705306.db2.gz QSCJCHJNAIOXJB-HNNXBMFYSA-N 0 1 317.414 3.917 20 5 DHBDMN CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000351933486 336180759 /nfs/dbraw/zinc/18/07/59/336180759.db2.gz CVGBSBDLTSFFCK-LBPRGKRZSA-N 0 1 310.369 3.513 20 5 DHBDMN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1F ZINC000352556124 336224496 /nfs/dbraw/zinc/22/44/96/336224496.db2.gz VVYLQSKWICPGLJ-OAHLLOKOSA-N 0 1 318.348 3.983 20 5 DHBDMN CCO[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609045 336226631 /nfs/dbraw/zinc/22/66/31/336226631.db2.gz QNDMCYUZANMGQY-HZPDHXFCSA-N 0 1 322.380 3.513 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)N2CCCC2)c1 ZINC000301591849 336317006 /nfs/dbraw/zinc/31/70/06/336317006.db2.gz ZHTXFVKQAFXHJZ-MRXNPFEDSA-N 0 1 315.373 3.745 20 5 DHBDMN CN1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301879368 336335858 /nfs/dbraw/zinc/33/58/58/336335858.db2.gz ZIQZGYVUKFOQPI-DOTOQJQBSA-N 0 1 315.348 3.591 20 5 DHBDMN Cc1ccc(CN(C)c2cc(C)nc3ccc([N+](=O)[O-])cc32)nc1 ZINC000302690967 336365131 /nfs/dbraw/zinc/36/51/31/336365131.db2.gz ROJMLDUXBXCATR-UHFFFAOYSA-N 0 1 322.368 3.791 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@H]2CCCc3ccc(F)cc32)cs1 ZINC000355530827 336513197 /nfs/dbraw/zinc/51/31/97/336513197.db2.gz KCNLXHMAPIXKTQ-AWEZNQCLSA-N 0 1 306.362 3.963 20 5 DHBDMN CC[C@@H](NCc1ccc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000358265873 336620309 /nfs/dbraw/zinc/62/03/09/336620309.db2.gz LHZGPDKNYFXTJO-QGZVFWFLSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@@H](c3ccccc3)O2)cs1 ZINC000377774619 337060724 /nfs/dbraw/zinc/06/07/24/337060724.db2.gz KKIJMNHZIWEHGS-CABCVRRESA-N 0 1 318.398 3.666 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC3(CC2)OCc2ccccc23)c1 ZINC000378137537 337067033 /nfs/dbraw/zinc/06/70/33/337067033.db2.gz XFWMHIHJPYZBJL-UHFFFAOYSA-N 0 1 324.380 3.616 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000514669660 337151497 /nfs/dbraw/zinc/15/14/97/337151497.db2.gz BAACLPXHTLUFST-KSSFIOAISA-N 0 1 312.369 3.809 20 5 DHBDMN Cc1cc(N(C)Cc2cscn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181472617 337182397 /nfs/dbraw/zinc/18/23/97/337182397.db2.gz KTLSGMVTSWBZAB-UHFFFAOYSA-N 0 1 314.370 3.544 20 5 DHBDMN Cc1c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186710061 337258867 /nfs/dbraw/zinc/25/88/67/337258867.db2.gz POGINXRTURDBEJ-LJQANCHMSA-N 0 1 324.380 3.535 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)CCCc1ccccc1 ZINC000430192899 338100550 /nfs/dbraw/zinc/10/05/50/338100550.db2.gz DRFOCZYXVQPGOU-UHFFFAOYSA-N 0 1 314.385 3.668 20 5 DHBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(Cl)c1 ZINC000432577764 338159708 /nfs/dbraw/zinc/15/97/08/338159708.db2.gz HTPCMXPTSZKLCT-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN COc1cc(-c2nc3ccc(SC)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000435705239 338245820 /nfs/dbraw/zinc/24/58/20/338245820.db2.gz MLGJEJWUAJUHOV-UHFFFAOYSA-N 0 1 315.354 3.869 20 5 DHBDMN Cc1ccc2[nH]c(SCc3cc(O)ccc3[N+](=O)[O-])nc2c1 ZINC000436472983 338273366 /nfs/dbraw/zinc/27/33/66/338273366.db2.gz CUNFIVDQQRGBEL-UHFFFAOYSA-N 0 1 315.354 3.777 20 5 DHBDMN Cc1ccc(CNc2nccn2-c2ccccc2)cc1[N+](=O)[O-] ZINC000438929839 338356189 /nfs/dbraw/zinc/35/61/89/338356189.db2.gz LIFBUTABOGIGGT-UHFFFAOYSA-N 0 1 308.341 3.701 20 5 DHBDMN CC1(F)CC(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000449369554 338618481 /nfs/dbraw/zinc/61/84/81/338618481.db2.gz DJQBENQQJAQODB-UHFFFAOYSA-N 0 1 321.377 3.699 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000451161208 338723609 /nfs/dbraw/zinc/72/36/09/338723609.db2.gz HWJLHRKAUQXKPG-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1ccncc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453318375 338823843 /nfs/dbraw/zinc/82/38/43/338823843.db2.gz BKGJPAIOYLTJSF-KRWDZBQOSA-N 0 1 311.385 3.810 20 5 DHBDMN Cc1cc(NCCc2ccc3cn[nH]c3c2)c(F)cc1[N+](=O)[O-] ZINC000461948866 339069522 /nfs/dbraw/zinc/06/95/22/339069522.db2.gz OUXCGXKYXYEUAJ-UHFFFAOYSA-N 0 1 314.320 3.573 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCC(F)(F)F ZINC000470178883 339312981 /nfs/dbraw/zinc/31/29/81/339312981.db2.gz PHHVWECEYLQBAA-FLIBITNWSA-N 0 1 302.296 3.882 20 5 DHBDMN CC(C)(C)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000472194882 339365786 /nfs/dbraw/zinc/36/57/86/339365786.db2.gz XGKLJUYFXDOPQM-UHFFFAOYSA-N 0 1 317.389 3.994 20 5 DHBDMN Cn1ccc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)c1 ZINC000493300368 339922552 /nfs/dbraw/zinc/92/25/52/339922552.db2.gz CTVZMJHKRCRHEF-IBGZPJMESA-N 0 1 321.380 3.813 20 5 DHBDMN CCC[N@@H+](CCc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549554562 341297617 /nfs/dbraw/zinc/29/76/17/341297617.db2.gz LWLLRXTYFBHKEE-UHFFFAOYSA-N 0 1 320.414 3.817 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCC[C@H]3F)o2)c1 ZINC000550320917 341315216 /nfs/dbraw/zinc/31/52/16/341315216.db2.gz KSIGLGYJWPJCPY-CABCVRRESA-N 0 1 304.321 3.835 20 5 DHBDMN COCc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000268767735 341603623 /nfs/dbraw/zinc/60/36/23/341603623.db2.gz JYIYPYNKXZNUIE-CYBMUJFWSA-N 0 1 300.358 3.592 20 5 DHBDMN CCc1ccc([C@H](NCCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000576739858 341860874 /nfs/dbraw/zinc/86/08/74/341860874.db2.gz NUHKPVHVGFWGLB-MRXNPFEDSA-N 0 1 306.337 3.789 20 5 DHBDMN Cc1cccc2ncc(CNC(C)(C)c3ccccc3[N+](=O)[O-])n21 ZINC000492194659 518190766 /nfs/dbraw/zinc/19/07/66/518190766.db2.gz SIIKOGFYAIOXRK-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN COc1cc(C)ccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124556704 522264334 /nfs/dbraw/zinc/26/43/34/522264334.db2.gz OHDMRTMVUOQAMX-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1ccc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000338292928 525281273 /nfs/dbraw/zinc/28/12/73/525281273.db2.gz CWSNUBRTEAXZFM-OAHLLOKOSA-N 0 1 305.403 3.680 20 5 DHBDMN O=[N+]([O-])c1ccc(CSc2nc(C3CC3)n[nH]2)c(Cl)c1 ZINC000180950744 527353951 /nfs/dbraw/zinc/35/39/51/527353951.db2.gz WBIHCVCWXDERAK-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN O=[N+]([O-])c1ccc(CSc2n[nH]c(C3CC3)n2)c(Cl)c1 ZINC000180950744 527353956 /nfs/dbraw/zinc/35/39/56/527353956.db2.gz WBIHCVCWXDERAK-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN COCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568070 536818935 /nfs/dbraw/zinc/81/89/35/536818935.db2.gz FOILXGOZCRQSOQ-CJNGLKHVSA-N 0 1 318.373 3.925 20 5 DHBDMN COc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000086585877 1013107965 /nfs/dbraw/zinc/10/79/65/1013107965.db2.gz VOBMVNBZFFPOPC-UHFFFAOYSA-N 0 1 306.749 3.547 20 5 DHBDMN CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC001167405173 1014149259 /nfs/dbraw/zinc/14/92/59/1014149259.db2.gz ANCVYEHEHXVRRA-AWEZNQCLSA-N 0 1 306.406 3.949 20 5 DHBDMN CCC[C@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738973 974984979 /nfs/dbraw/zinc/98/49/79/974984979.db2.gz RJRATKQADZQOQY-QGZVFWFLSA-N 0 1 320.389 3.695 20 5 DHBDMN C[C@@H](c1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCCCC1 ZINC000276131054 1014702897 /nfs/dbraw/zinc/70/28/97/1014702897.db2.gz AKYJVRQBMRVLEM-LBPRGKRZSA-N 0 1 316.361 3.582 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@@H](CF)C3)cs2)c1 ZINC000895574769 1015207098 /nfs/dbraw/zinc/20/70/98/1015207098.db2.gz ZOFACDVOTBQMTP-NSHDSACASA-N 0 1 321.377 3.510 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H](CF)C3)cs2)c1 ZINC000895574769 1015207105 /nfs/dbraw/zinc/20/71/05/1015207105.db2.gz ZOFACDVOTBQMTP-NSHDSACASA-N 0 1 321.377 3.510 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Cl)cc1O ZINC000610664634 1015695203 /nfs/dbraw/zinc/69/52/03/1015695203.db2.gz ZJIHCHJSRVWHCK-UHFFFAOYSA-N 0 1 320.732 3.823 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@H](c3ccccc3)C3CC3)nc2c1 ZINC000341849272 1015770182 /nfs/dbraw/zinc/77/01/82/1015770182.db2.gz ZECFPIQNGBGIKN-GOSISDBHSA-N 0 1 322.368 3.712 20 5 DHBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(Cl)nc1 ZINC000255437043 1016060942 /nfs/dbraw/zinc/06/09/42/1016060942.db2.gz LNDXSKIUWWCVKI-XQRVVYSFSA-N 0 1 317.776 3.788 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000361886932 1032142025 /nfs/dbraw/zinc/14/20/25/1032142025.db2.gz BAALADOJAMJIBP-YOEHRIQHSA-N 0 1 314.385 3.678 20 5 DHBDMN Cc1ccc2nc(CNc3c(F)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000342786718 1017256831 /nfs/dbraw/zinc/25/68/31/1017256831.db2.gz LXPIWUGLKJJGTR-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN CC(C)[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425403165 1012576620 /nfs/dbraw/zinc/57/66/20/1012576620.db2.gz HWCGYXCUAPAPBH-UHFFFAOYSA-N 0 1 313.195 3.730 20 5 DHBDMN CC(C)N(Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425403165 1012576629 /nfs/dbraw/zinc/57/66/29/1012576629.db2.gz HWCGYXCUAPAPBH-UHFFFAOYSA-N 0 1 313.195 3.730 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCCC3(CCOCC3)C2)cc1Cl ZINC000783575280 1017195736 /nfs/dbraw/zinc/19/57/36/1017195736.db2.gz WZGAQDYRMIQLBQ-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@H](c1ccccc1)C1CC1 ZINC000179103021 1017509464 /nfs/dbraw/zinc/50/94/64/1017509464.db2.gz VVQLWUJRBMEKFM-QGZVFWFLSA-N 0 1 300.333 3.975 20 5 DHBDMN CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444687484 1017630701 /nfs/dbraw/zinc/63/07/01/1017630701.db2.gz GMPZKISPAQSYST-UHFFFAOYSA-N 0 1 316.386 3.558 20 5 DHBDMN Cc1ccc(C(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000172111095 1017824719 /nfs/dbraw/zinc/82/47/19/1017824719.db2.gz HSKSPIINSIFGOM-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000340442698 1018610403 /nfs/dbraw/zinc/61/04/03/1018610403.db2.gz CXTDWLOQHMAWAV-INIZCTEOSA-N 0 1 316.332 3.737 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC000921818803 1018903569 /nfs/dbraw/zinc/90/35/69/1018903569.db2.gz RDRSILUNKCVYGL-ZDUSSCGKSA-N 0 1 312.369 3.689 20 5 DHBDMN Cc1c(CN[C@]2(C)CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000923024980 1018990783 /nfs/dbraw/zinc/99/07/83/1018990783.db2.gz LUVWKTABPLZCAB-GOSISDBHSA-N 0 1 312.369 3.691 20 5 DHBDMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000923470435 1019220449 /nfs/dbraw/zinc/22/04/49/1019220449.db2.gz PUVDFBLDPFGNNK-GUYCJALGSA-N 0 1 320.389 3.541 20 5 DHBDMN CCOc1ccc([C@@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601306761 1019346062 /nfs/dbraw/zinc/34/60/62/1019346062.db2.gz QMXSEEMXUOSLTB-FBIMIBRVSA-N 0 1 318.295 3.595 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153478345 1019409281 /nfs/dbraw/zinc/40/92/81/1019409281.db2.gz XKGVKZHMLJIKDP-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN Cc1[nH]ncc1CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000338659043 1019506574 /nfs/dbraw/zinc/50/65/74/1019506574.db2.gz XSUJICRFQHAEPH-UHFFFAOYSA-N 0 1 314.267 3.566 20 5 DHBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000114489165 1019513850 /nfs/dbraw/zinc/51/38/50/1019513850.db2.gz YNVAEKBYVMBAJG-OAHLLOKOSA-N 0 1 302.399 3.646 20 5 DHBDMN CN(Cc1csc([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 ZINC000114489165 1019513859 /nfs/dbraw/zinc/51/38/59/1019513859.db2.gz YNVAEKBYVMBAJG-OAHLLOKOSA-N 0 1 302.399 3.646 20 5 DHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(F)cn1 ZINC000318368548 1020041373 /nfs/dbraw/zinc/04/13/73/1020041373.db2.gz AUUZZBOVOHOUDX-CQSZACIVSA-N 0 1 303.337 3.678 20 5 DHBDMN C[C@@H](NCc1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000922538003 1020117614 /nfs/dbraw/zinc/11/76/14/1020117614.db2.gz MLTARGRPGVUIPB-SNVBAGLBSA-N 0 1 303.387 3.780 20 5 DHBDMN C[C@H](Nc1ncccc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732569102 1020252947 /nfs/dbraw/zinc/25/29/47/1020252947.db2.gz WNXZYBYGVJKRDU-QMMMGPOBSA-N 0 1 317.736 3.693 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000338903440 1020614904 /nfs/dbraw/zinc/61/49/04/1020614904.db2.gz KUEAHRKHNBEKOA-AWEZNQCLSA-N 0 1 304.371 3.699 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000338903440 1020614908 /nfs/dbraw/zinc/61/49/08/1020614908.db2.gz KUEAHRKHNBEKOA-AWEZNQCLSA-N 0 1 304.371 3.699 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000537945288 1032954781 /nfs/dbraw/zinc/95/47/81/1032954781.db2.gz HQXHSFKDZGPTIE-VXGBXAGGSA-N 0 1 317.393 3.557 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CSc1nc(C2CC2)n[nH]1 ZINC000154360690 1021236308 /nfs/dbraw/zinc/23/63/08/1021236308.db2.gz DPWMJQJYYJNFFW-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CSc1n[nH]c(C2CC2)n1 ZINC000154360690 1021236319 /nfs/dbraw/zinc/23/63/19/1021236319.db2.gz DPWMJQJYYJNFFW-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN Cc1nc2c(n1Cc1ccc([N+](=O)[O-])cc1Cl)CCCC2 ZINC000130513881 1021260097 /nfs/dbraw/zinc/26/00/97/1021260097.db2.gz WFXQNIHWUDBRNP-UHFFFAOYSA-N 0 1 305.765 3.680 20 5 DHBDMN CSC[C@@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154728790 1021522269 /nfs/dbraw/zinc/52/22/69/1021522269.db2.gz AVSCHGWBJOARES-NSHDSACASA-N 0 1 300.811 3.576 20 5 DHBDMN COc1cccc(CNCc2cc(Cl)ccc2[N+](=O)[O-])c1C ZINC000850417255 1021522943 /nfs/dbraw/zinc/52/29/43/1021522943.db2.gz XRPIFPPKGFCLIU-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530188 1021582186 /nfs/dbraw/zinc/58/21/86/1021582186.db2.gz WMQYCLQGMODCQI-XZOAIXRZSA-N 0 1 312.369 3.732 20 5 DHBDMN O=[N+]([O-])c1cnccc1Sc1nc2ccc(Cl)cc2[nH]1 ZINC000066796606 1021687958 /nfs/dbraw/zinc/68/79/58/1021687958.db2.gz GBDJEVZKPZUNSG-UHFFFAOYSA-N 0 1 306.734 3.671 20 5 DHBDMN Cc1c(CNCc2cccc(OC(C)C)c2)cccc1[N+](=O)[O-] ZINC000236764572 1021766624 /nfs/dbraw/zinc/76/66/24/1021766624.db2.gz PCNRIGRCEZCWTH-UHFFFAOYSA-N 0 1 314.385 3.980 20 5 DHBDMN Cc1c(CNc2cc[nH+]c3c([O-])cccc23)cccc1[N+](=O)[O-] ZINC000619498126 1021773282 /nfs/dbraw/zinc/77/32/82/1021773282.db2.gz YOZHIZODMAOYSL-UHFFFAOYSA-N 0 1 309.325 3.769 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1O ZINC000194956924 1021826224 /nfs/dbraw/zinc/82/62/24/1021826224.db2.gz IXIIECFVSKDEGT-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CNC1(c2ccccc2)CCC1 ZINC000170907062 1021881753 /nfs/dbraw/zinc/88/17/53/1021881753.db2.gz IAUATDQFZOMRIN-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000290421417 1021993847 /nfs/dbraw/zinc/99/38/47/1021993847.db2.gz KRPGBEQJNXKRHL-MRXNPFEDSA-N 0 1 314.389 3.580 20 5 DHBDMN Cc1cccc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000183350502 1022112825 /nfs/dbraw/zinc/11/28/25/1022112825.db2.gz SWCYZBLUQWQQIA-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN COc1ccccc1C(C)(C)NCc1ccc([N+](=O)[O-])cc1C ZINC000183461510 1022148569 /nfs/dbraw/zinc/14/85/69/1022148569.db2.gz JQUHAFCOUZAXOA-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN CCN(Cc1ccc(OC)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000047611439 1023359204 /nfs/dbraw/zinc/35/92/04/1023359204.db2.gz XDKIOGIGFWUHMT-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN Cc1ccccc1OCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788469898 1023890006 /nfs/dbraw/zinc/89/00/06/1023890006.db2.gz JJECIJFWFHGCPI-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OC(C)(C)C)CC1 ZINC000268311861 1024099577 /nfs/dbraw/zinc/09/95/77/1024099577.db2.gz QKZPTJAFAIFVFR-CYBMUJFWSA-N 0 1 306.406 3.935 20 5 DHBDMN CCC[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495791 1024523038 /nfs/dbraw/zinc/52/30/38/1024523038.db2.gz LGHFNZRYCOMOBU-HZPDHXFCSA-N 0 1 314.389 3.826 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1scnc1C1CC1 ZINC000348670800 1024602780 /nfs/dbraw/zinc/60/27/80/1024602780.db2.gz KENKRLKPMSLSRN-UHFFFAOYSA-N 0 1 317.414 3.603 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000349613935 1024732274 /nfs/dbraw/zinc/73/22/74/1024732274.db2.gz NZTORDKYGUZYRC-AWEZNQCLSA-N 0 1 304.371 3.699 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000349613935 1024732283 /nfs/dbraw/zinc/73/22/83/1024732283.db2.gz NZTORDKYGUZYRC-AWEZNQCLSA-N 0 1 304.371 3.699 20 5 DHBDMN CCC[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878046 1024820972 /nfs/dbraw/zinc/82/09/72/1024820972.db2.gz RPQHLSMDEBIXSY-CYBMUJFWSA-N 0 1 307.350 3.658 20 5 DHBDMN CCC[C@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000354109248 1025355326 /nfs/dbraw/zinc/35/53/26/1025355326.db2.gz JNLIZMZOPZYIOG-ZDUSSCGKSA-N 0 1 322.405 3.624 20 5 DHBDMN CN1Cc2ccccc2[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804576725 1025373623 /nfs/dbraw/zinc/37/36/23/1025373623.db2.gz CFGGDCKEXLCDCX-OAHLLOKOSA-N 0 1 317.776 3.847 20 5 DHBDMN Cc1ccccc1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886002134 1025434931 /nfs/dbraw/zinc/43/49/31/1025434931.db2.gz REDHEOSPHQOPDI-UHFFFAOYSA-N 0 1 311.385 3.678 20 5 DHBDMN C[C@H](NCc1cccnc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000886104425 1025505560 /nfs/dbraw/zinc/50/55/60/1025505560.db2.gz BQTYVEIIOLCVPV-ZDUSSCGKSA-N 0 1 311.385 3.719 20 5 DHBDMN COc1c(Cl)cccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000897479522 1025740598 /nfs/dbraw/zinc/74/05/98/1025740598.db2.gz DTZVGJQUGQYVKO-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN COc1ccc2nc(S/C=C\c3ccc([N+](=O)[O-])o3)[nH]c2c1 ZINC000214730165 1025767311 /nfs/dbraw/zinc/76/73/11/1025767311.db2.gz CWPHBVNMLGHPKM-SREVYHEPSA-N 0 1 317.326 3.836 20 5 DHBDMN C[C@H](N[C@@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134842 1025777444 /nfs/dbraw/zinc/77/74/44/1025777444.db2.gz OOOPIIGJVBYLMO-IINYFYTJSA-N 0 1 317.776 3.981 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000355788058 1025840900 /nfs/dbraw/zinc/84/09/00/1025840900.db2.gz UIWBPCWOYSPRKM-MRXNPFEDSA-N 0 1 324.808 3.641 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000080962446 1025972742 /nfs/dbraw/zinc/97/27/42/1025972742.db2.gz CKTFOAVKMYKEET-GFCCVEGCSA-N 0 1 316.357 3.502 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc2c(c1)OCO2 ZINC000025448382 1026296932 /nfs/dbraw/zinc/29/69/32/1026296932.db2.gz YJOIARNXHGUKIL-LBPRGKRZSA-N 0 1 314.341 3.517 20 5 DHBDMN C[C@H](OC(=O)c1ccc(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000729238002 1026399464 /nfs/dbraw/zinc/39/94/64/1026399464.db2.gz QDZCPIUZFDZEQO-VIFPVBQESA-N 0 1 321.716 3.872 20 5 DHBDMN CC1(C)SC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811503476 1027024136 /nfs/dbraw/zinc/02/41/36/1027024136.db2.gz OAJOLTPITFFGQN-SNVBAGLBSA-N 0 1 321.229 3.885 20 5 DHBDMN CCSCC[C@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000362455721 1027216745 /nfs/dbraw/zinc/21/67/45/1027216745.db2.gz SXVOZPBAVWJNQI-LBPRGKRZSA-N 0 1 312.435 3.567 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932197072 1027410425 /nfs/dbraw/zinc/41/04/25/1027410425.db2.gz CLEPZLVZCAKYQM-CQSZACIVSA-N 0 1 317.414 3.506 20 5 DHBDMN CCCCN1C(=O)N=NC1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007476200 1027806830 /nfs/dbraw/zinc/80/68/30/1027806830.db2.gz LWXMCJWNNJRDAW-JTQLQIEISA-N 0 1 322.390 3.545 20 5 DHBDMN O=[N+]([O-])c1c(NCc2ccc3nc[nH]c3c2)ccc2ncccc21 ZINC000600852589 1027866259 /nfs/dbraw/zinc/86/62/59/1027866259.db2.gz QCUOEODORWQTQP-UHFFFAOYSA-N 0 1 319.324 3.631 20 5 DHBDMN CSC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000814179415 1027918299 /nfs/dbraw/zinc/91/82/99/1027918299.db2.gz SVDIMYULFRGSPS-GFCCVEGCSA-N 0 1 314.838 3.823 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000563419687 1028037819 /nfs/dbraw/zinc/03/78/19/1028037819.db2.gz XYHCXGAZDVIYJS-MRXNPFEDSA-N 0 1 300.333 3.819 20 5 DHBDMN Cc1ncc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299989 1028068932 /nfs/dbraw/zinc/06/89/32/1028068932.db2.gz RWZOOXHPYNCXSV-TVQRCGJNSA-N 0 1 303.387 3.698 20 5 DHBDMN C[C@@H](NCc1cccc2c1CCOC2)c1ccccc1[N+](=O)[O-] ZINC000601304705 1028069829 /nfs/dbraw/zinc/06/98/29/1028069829.db2.gz QWKCXRSMHZHOBY-CYBMUJFWSA-N 0 1 312.369 3.518 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(CCC4)CC3)nc2c1 ZINC000367548769 1028201277 /nfs/dbraw/zinc/20/12/77/1028201277.db2.gz FUGMGKFEKDMUQS-UHFFFAOYSA-N 0 1 301.346 3.502 20 5 DHBDMN CC(C)n1cc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258184 1028361998 /nfs/dbraw/zinc/36/19/98/1028361998.db2.gz DYEIDVQDCVSPMB-WBMJQRKESA-N 0 1 314.389 3.710 20 5 DHBDMN COc1cccc(C2(N[C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000564789124 1028502583 /nfs/dbraw/zinc/50/25/83/1028502583.db2.gz PXUPWKQUQBFUFF-CYBMUJFWSA-N 0 1 312.369 3.943 20 5 DHBDMN Cc1nc(C)c([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000040445795 1028543558 /nfs/dbraw/zinc/54/35/58/1028543558.db2.gz SDPOENRCVBRHOC-SNVBAGLBSA-N 0 1 305.403 3.827 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000815569642 1028549394 /nfs/dbraw/zinc/54/93/94/1028549394.db2.gz BGAWLCXODLYJTQ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(F)cc1C ZINC000815575805 1028552546 /nfs/dbraw/zinc/55/25/46/1028552546.db2.gz AZIHKMXVUYYFKQ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](N[C@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582051 1028554742 /nfs/dbraw/zinc/55/47/42/1028554742.db2.gz WPIHUBGUJXUEHD-YGRLFVJLSA-N 0 1 315.398 3.675 20 5 DHBDMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462327 1028682185 /nfs/dbraw/zinc/68/21/85/1028682185.db2.gz SJRMCMZTDZXNSP-JQWIXIFHSA-N 0 1 302.296 3.758 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](O)c2ccccc2C1 ZINC000371875850 1028769633 /nfs/dbraw/zinc/76/96/33/1028769633.db2.gz GWOMUVOQURKROV-MTCRFPMVSA-N 0 1 324.380 3.547 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449643837 1028874445 /nfs/dbraw/zinc/87/44/45/1028874445.db2.gz ZJSGZBCWCXCCMA-MRXNPFEDSA-N 0 1 314.341 3.621 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccn(C(C)C)n1 ZINC000568460719 1029071622 /nfs/dbraw/zinc/07/16/22/1029071622.db2.gz RZEJAJUMLAOPAK-NTEUORMPSA-N 0 1 314.389 3.565 20 5 DHBDMN CSc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000357842174 1030216069 /nfs/dbraw/zinc/21/60/69/1030216069.db2.gz UFJNVQDRSMTVTE-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN Cc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000824462775 1030566972 /nfs/dbraw/zinc/56/69/72/1030566972.db2.gz LSMAMRUSJVQMCM-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1cc(C)c(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000825221636 1030747976 /nfs/dbraw/zinc/74/79/76/1030747976.db2.gz USVMOBWHMZFREX-UHFFFAOYSA-N 0 1 305.765 3.550 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCCc2cccnc21 ZINC000927061227 1031058683 /nfs/dbraw/zinc/05/86/83/1031058683.db2.gz CWBXDZZDCSSBEK-JKSUJKDBSA-N 0 1 309.369 3.644 20 5 DHBDMN C[C@@H](Nc1ccc(CN(C)C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000777699850 1031364878 /nfs/dbraw/zinc/36/48/78/1031364878.db2.gz FEMIGAOQFGGPTH-GFCCVEGCSA-N 0 1 317.364 3.969 20 5 DHBDMN C[C@@H](NCCc1ccc(Cl)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044708 1031431041 /nfs/dbraw/zinc/43/10/41/1031431041.db2.gz VORYHOMOOIPDIX-SNVBAGLBSA-N 0 1 323.755 3.676 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccnc(C)c1 ZINC000872075736 1031471488 /nfs/dbraw/zinc/47/14/88/1031471488.db2.gz UVELTXCVEIOSRC-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN C[C@H](N[C@H](C1CC1)[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083090 1031479279 /nfs/dbraw/zinc/47/92/79/1031479279.db2.gz GXDJLZSVFQJMFV-XNJJOIOASA-N 0 1 322.380 3.732 20 5 DHBDMN C[C@@H](N[C@H](C)c1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293641654 1031551854 /nfs/dbraw/zinc/55/18/54/1031551854.db2.gz IBRDKEWXBGNSAI-NXEZZACHSA-N 0 1 321.327 3.867 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]1c1ccncc1 ZINC000877522518 1033332690 /nfs/dbraw/zinc/33/26/90/1033332690.db2.gz BHTHHBQWJJOELY-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(F)F ZINC000877731219 1033423272 /nfs/dbraw/zinc/42/32/72/1033423272.db2.gz QGHLDDGGLSOPCY-UHFFFAOYSA-N 0 1 313.304 3.507 20 5 DHBDMN CCCCC[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878359504 1033673243 /nfs/dbraw/zinc/67/32/43/1033673243.db2.gz NOXSURKZQOKUEL-INIZCTEOSA-N 0 1 316.405 3.740 20 5 DHBDMN CCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178654243 1034255987 /nfs/dbraw/zinc/25/59/87/1034255987.db2.gz ZWSQWXJYJLIIFC-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSCc1coc(C2CC2)n1 ZINC000865284875 1034582653 /nfs/dbraw/zinc/58/26/53/1034582653.db2.gz MRMDWHFWIPZAOB-UHFFFAOYSA-N 0 1 306.343 3.599 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OCC2CC2)C1 ZINC000494705578 1035772740 /nfs/dbraw/zinc/77/27/40/1035772740.db2.gz XKWCTTWERMYXRU-GUYCJALGSA-N 0 1 304.390 3.547 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC4(CCC4)C3)co2)cc1 ZINC000089909531 1035794443 /nfs/dbraw/zinc/79/44/43/1035794443.db2.gz GUKPDOADFRZXHJ-UHFFFAOYSA-N 0 1 313.357 3.626 20 5 DHBDMN Cc1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000539849010 1035903175 /nfs/dbraw/zinc/90/31/75/1035903175.db2.gz HNQOABOSYNHDBL-GDBMZVCRSA-N 0 1 306.431 3.763 20 5 DHBDMN CC(C)C(CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC001182226957 1036136163 /nfs/dbraw/zinc/13/61/63/1036136163.db2.gz MVHWKIQUYAFSMR-UHFFFAOYSA-N 0 1 306.406 3.586 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(C/C=C\c2ccncc2)C2CC2)c1 ZINC000495067469 1036213120 /nfs/dbraw/zinc/21/31/20/1036213120.db2.gz OESUPFANTKUNPG-RQOWECAXSA-N 0 1 309.369 3.668 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(C/C=C/c2ccncc2)C2CC2)cc1 ZINC000495062298 1036217923 /nfs/dbraw/zinc/21/79/23/1036217923.db2.gz FBNRNEUZFSJRIR-OWOJBTEDSA-N 0 1 309.369 3.668 20 5 DHBDMN COc1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000271477976 1036255569 /nfs/dbraw/zinc/25/55/69/1036255569.db2.gz MWLQESKYLOTYBP-KRWDZBQOSA-N 0 1 312.369 3.771 20 5 DHBDMN COc1ccc2c(c1)CCCN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000609133953 1036397078 /nfs/dbraw/zinc/39/70/78/1036397078.db2.gz OQMWJJYYLBMJTC-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN CCOc1cc(C[N@@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000492534855 1036909337 /nfs/dbraw/zinc/90/93/37/1036909337.db2.gz KQNLOTLUMCGVMP-LBPRGKRZSA-N 0 1 312.435 3.567 20 5 DHBDMN CC[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774884322 1037148210 /nfs/dbraw/zinc/14/82/10/1037148210.db2.gz KLSUSGGEECMCGM-HNNXBMFYSA-N 0 1 307.350 3.515 20 5 DHBDMN CC[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774884327 1037151454 /nfs/dbraw/zinc/15/14/54/1037151454.db2.gz KLSUSGGEECMCGM-OAHLLOKOSA-N 0 1 307.350 3.515 20 5 DHBDMN Cc1cc2[nH]ncc2cc1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001186096361 1037313374 /nfs/dbraw/zinc/31/33/74/1037313374.db2.gz SNMCSQKHHNJFKO-UHFFFAOYSA-N 0 1 323.356 3.797 20 5 DHBDMN C[C@H]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052439 1037500909 /nfs/dbraw/zinc/50/09/09/1037500909.db2.gz DHJRFZABHSYDCG-BLLLJJGKSA-N 0 1 319.361 3.515 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H](c1ccccn1)C1CCC1 ZINC000598993780 1038986656 /nfs/dbraw/zinc/98/66/56/1038986656.db2.gz OMACJWQCQYYFNA-GOSISDBHSA-N 0 1 311.385 3.929 20 5 DHBDMN C[N@@H+](CCC1CCCCC1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734145 1039127268 /nfs/dbraw/zinc/12/72/68/1039127268.db2.gz VMIFDWMWRHDHGB-UHFFFAOYSA-N 0 1 320.389 3.695 20 5 DHBDMN CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739610 1039139866 /nfs/dbraw/zinc/13/98/66/1039139866.db2.gz DHVLYRUDTFRKGG-SWLSCSKDSA-N 0 1 320.389 3.694 20 5 DHBDMN CC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1F ZINC000593061143 1039356684 /nfs/dbraw/zinc/35/66/84/1039356684.db2.gz NYVPQIWSTDUMES-HNNXBMFYSA-N 0 1 304.321 3.680 20 5 DHBDMN CC[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000593061143 1039356701 /nfs/dbraw/zinc/35/67/01/1039356701.db2.gz NYVPQIWSTDUMES-HNNXBMFYSA-N 0 1 304.321 3.680 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H](OC2CCC2)C1 ZINC000594612902 1039874275 /nfs/dbraw/zinc/87/42/75/1039874275.db2.gz OUBJFSDCZQVKRV-PFWMLDTASA-N 0 1 316.401 3.642 20 5 DHBDMN Cc1c([C@H](C)N[C@@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000595103659 1040068225 /nfs/dbraw/zinc/06/82/25/1040068225.db2.gz NOQCJGKNEIUWGZ-SUNYJGFJSA-N 0 1 314.385 3.676 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H](c1ccccc1)C1CC1 ZINC000595426347 1040136378 /nfs/dbraw/zinc/13/63/78/1040136378.db2.gz SZMWXDHZSIXAOM-QGZVFWFLSA-N 0 1 300.333 3.975 20 5 DHBDMN Cc1nc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC000595522056 1040160399 /nfs/dbraw/zinc/16/03/99/1040160399.db2.gz IEMLGTMHVKNMDG-HNNXBMFYSA-N 0 1 315.373 3.579 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3C[C@@H]4CCCC[C@@H]43)co2)cc1 ZINC000595565886 1040163709 /nfs/dbraw/zinc/16/37/09/1040163709.db2.gz FEDFRZBKUQSHRU-BBRMVZONSA-N 0 1 313.357 3.624 20 5 DHBDMN Cc1noc(CN(C)[C@@H]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539401 1040168105 /nfs/dbraw/zinc/16/81/05/1040168105.db2.gz LZIPYNLLYARWIT-LSDHHAIUSA-N 0 1 315.373 3.659 20 5 DHBDMN CC(C)N(Cc1cccc([N+](=O)[O-])c1Br)C(C)C ZINC001168422839 1040180690 /nfs/dbraw/zinc/18/06/90/1040180690.db2.gz BGTYYESKSFBWKH-UHFFFAOYSA-N 0 1 315.211 3.976 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c(Cl)c1 ZINC000595755073 1040239322 /nfs/dbraw/zinc/23/93/22/1040239322.db2.gz FTUOESZJANZZHL-NSHDSACASA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CCF)C2)c(Cl)c1 ZINC000595755073 1040239332 /nfs/dbraw/zinc/23/93/32/1040239332.db2.gz FTUOESZJANZZHL-NSHDSACASA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCCC2)s1 ZINC000064029181 1040641152 /nfs/dbraw/zinc/64/11/52/1040641152.db2.gz BLGZMFAJZVVALP-GFCCVEGCSA-N 0 1 321.402 3.888 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(Cc3nccs3)CC2)cc1 ZINC000602735646 1041188298 /nfs/dbraw/zinc/18/82/98/1041188298.db2.gz WGPKJIBLYVTJCW-UHFFFAOYSA-N 0 1 317.414 3.506 20 5 DHBDMN COCC[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000273430639 130120295 /nfs/dbraw/zinc/12/02/95/130120295.db2.gz TZLFRVPURCBOEU-INIZCTEOSA-N 0 1 318.373 3.672 20 5 DHBDMN CSCc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000285491024 131173500 /nfs/dbraw/zinc/17/35/00/131173500.db2.gz MIYBUVVVJXPLEO-UHFFFAOYSA-N 0 1 302.399 3.748 20 5 DHBDMN CC(C)(CO)[C@H](NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289464749 131389180 /nfs/dbraw/zinc/38/91/80/131389180.db2.gz YNQCYSGZOPROHB-OAHLLOKOSA-N 0 1 320.414 3.506 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289484379 131389546 /nfs/dbraw/zinc/38/95/46/131389546.db2.gz IOROJLZPPYOOGI-KBRIMQKVSA-N 0 1 316.401 3.689 20 5 DHBDMN Cc1ccnc(Nc2ccn([C@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000610735162 435355925 /nfs/dbraw/zinc/35/59/25/435355925.db2.gz FILWZSPBSXZXKZ-CYBMUJFWSA-N 0 1 323.356 3.848 20 5 DHBDMN COc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000182019138 333036620 /nfs/dbraw/zinc/03/66/20/333036620.db2.gz QDSPLLRNYQOKHW-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(Cl)nc1)CCC2 ZINC000192699303 333291717 /nfs/dbraw/zinc/29/17/17/333291717.db2.gz GTVUQUFOURASFE-HNNXBMFYSA-N 0 1 317.776 3.810 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000122442633 333395568 /nfs/dbraw/zinc/39/55/68/333395568.db2.gz AXHHSUFHTWMOBJ-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN CCC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000185860692 335154564 /nfs/dbraw/zinc/15/45/64/335154564.db2.gz KGOPDGHBFJNBFO-OAHLLOKOSA-N 0 1 320.389 3.616 20 5 DHBDMN Cc1c(CN[C@H](c2cncc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000343456684 335170186 /nfs/dbraw/zinc/17/01/86/335170186.db2.gz NCFKEGFOFHMJGP-KRWDZBQOSA-N 0 1 315.348 3.678 20 5 DHBDMN Cc1noc(C)c1CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308526 334704819 /nfs/dbraw/zinc/70/48/19/334704819.db2.gz CXJJVCWKZXAEOZ-KRWDZBQOSA-N 0 1 315.373 3.757 20 5 DHBDMN COc1ccc2c(c1F)CC[C@H]2NCc1ccccc1[N+](=O)[O-] ZINC000343651765 335185174 /nfs/dbraw/zinc/18/51/74/335185174.db2.gz LHFWFQQJGPQDNO-CQSZACIVSA-N 0 1 316.332 3.520 20 5 DHBDMN Cc1c(CN[C@@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000348307371 335575090 /nfs/dbraw/zinc/57/50/90/335575090.db2.gz IIJYAXUEENBIPN-ZDUSSCGKSA-N 0 1 302.378 3.531 20 5 DHBDMN O=[N+]([O-])c1ccc(CNc2nccn2-c2ccccc2)c(F)c1 ZINC000351568912 336045464 /nfs/dbraw/zinc/04/54/64/336045464.db2.gz PJNHCXQDPMBIRG-UHFFFAOYSA-N 0 1 312.304 3.532 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nccs2)CC1 ZINC000332457883 336172303 /nfs/dbraw/zinc/17/23/03/336172303.db2.gz OBVBEGFNMOUGQQ-LBPRGKRZSA-N 0 1 317.414 3.992 20 5 DHBDMN CN1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301879370 336335782 /nfs/dbraw/zinc/33/57/82/336335782.db2.gz ZIQZGYVUKFOQPI-NVXWUHKLSA-N 0 1 315.348 3.591 20 5 DHBDMN CC(=O)c1ccc(NCc2nc3cccc(C)c3[nH]2)c([N+](=O)[O-])c1 ZINC000301900490 336337120 /nfs/dbraw/zinc/33/71/20/336337120.db2.gz UTIOBUQXQHGDAR-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(CN(C)C)c(F)c1 ZINC000301899536 336337171 /nfs/dbraw/zinc/33/71/71/336337171.db2.gz YDOXHUKDVMIVBS-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN Cc1cccc(NCc2ccc(CN(C)C)c(F)c2)c1[N+](=O)[O-] ZINC000302512336 336360419 /nfs/dbraw/zinc/36/04/19/336360419.db2.gz TWQIMVBMDKOXMR-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN Cc1cc2[nH]ncc2cc1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000302700159 336365576 /nfs/dbraw/zinc/36/55/76/336365576.db2.gz HQTVLIDIXDBZNR-UHFFFAOYSA-N 0 1 303.709 3.572 20 5 DHBDMN CC(C)(C)[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356577361 336555135 /nfs/dbraw/zinc/55/51/35/336555135.db2.gz MZPHCUYJYULIAB-ZDUSSCGKSA-N 0 1 320.389 3.589 20 5 DHBDMN CCC[C@H](NCc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000362128384 336785291 /nfs/dbraw/zinc/78/52/91/336785291.db2.gz FRFOAZFBCZQKAG-INIZCTEOSA-N 0 1 303.337 3.760 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC2(CCOCC2)CC1 ZINC000375292363 337007368 /nfs/dbraw/zinc/00/73/68/337007368.db2.gz MMRNMROPAAHLHC-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN Cc1c(CN2CC=C(c3cccnc3)CC2)cccc1[N+](=O)[O-] ZINC000375905417 337022826 /nfs/dbraw/zinc/02/28/26/337022826.db2.gz SLKBFVLCQCKTDL-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN COc1cc(CNc2ncc(C(C)C)s2)cc([N+](=O)[O-])c1O ZINC000185985320 337253669 /nfs/dbraw/zinc/25/36/69/337253669.db2.gz TYUNZHCEZKABSL-UHFFFAOYSA-N 0 1 323.374 3.501 20 5 DHBDMN CC1(C)Cc2occc2[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000089513419 337870464 /nfs/dbraw/zinc/87/04/64/337870464.db2.gz KFFBZAKGDBBBAP-HNNXBMFYSA-N 0 1 300.358 3.991 20 5 DHBDMN CCCc1nc(C)c(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000428937830 338065609 /nfs/dbraw/zinc/06/56/09/338065609.db2.gz HCAJHBPZFZJOMX-UHFFFAOYSA-N 0 1 317.389 3.518 20 5 DHBDMN O=[N+]([O-])c1ccc(/C=C/c2ccc(O)c(Br)c2)nc1 ZINC000439509477 338372174 /nfs/dbraw/zinc/37/21/74/338372174.db2.gz DINPFOIBEKRJPC-HNQUOIGGSA-N 0 1 321.130 3.628 20 5 DHBDMN Cc1cc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000453284311 338818559 /nfs/dbraw/zinc/81/85/59/338818559.db2.gz IEIKLXXAQOKSQM-KRWDZBQOSA-N 0 1 311.385 3.810 20 5 DHBDMN O=[N+]([O-])c1cccc([C@@H](NCC2=CCOCC2)c2ccccc2)c1 ZINC000453286359 338818894 /nfs/dbraw/zinc/81/88/94/338818894.db2.gz KCQBLTGOPMWBIF-IBGZPJMESA-N 0 1 324.380 3.621 20 5 DHBDMN CC(C)C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000468948046 339275575 /nfs/dbraw/zinc/27/55/75/339275575.db2.gz LHOBGNLBOOJTKH-CYBMUJFWSA-N 0 1 317.389 3.994 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CC[C@@H](c2c(F)cccc2F)C1 ZINC000469467988 339290663 /nfs/dbraw/zinc/29/06/63/339290663.db2.gz DGRUDQHGXKLOMR-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000469988417 339307010 /nfs/dbraw/zinc/30/70/10/339307010.db2.gz AUZODTZRJVASFN-LBPRGKRZSA-N 0 1 302.296 3.758 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470954777 339332624 /nfs/dbraw/zinc/33/26/24/339332624.db2.gz CCAYTKHMDBMQTM-JFGNBEQYSA-N 0 1 302.296 3.929 20 5 DHBDMN COCCN(Cc1ccccc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000505565669 340171138 /nfs/dbraw/zinc/17/11/38/340171138.db2.gz WNUYYHXCICLNPZ-UHFFFAOYSA-N 0 1 314.385 3.552 20 5 DHBDMN COc1cc(C[N@@H+](C)CC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000506340442 340192809 /nfs/dbraw/zinc/19/28/09/340192809.db2.gz LWXDDMWSRGDYMT-UHFFFAOYSA-N 0 1 322.405 3.624 20 5 DHBDMN CC(C)CCOC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000193106411 340572533 /nfs/dbraw/zinc/57/25/33/340572533.db2.gz NGDKCFLEBVDGGV-UHFFFAOYSA-N 0 1 306.406 3.622 20 5 DHBDMN COc1cc(F)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539061578 340869310 /nfs/dbraw/zinc/86/93/10/340869310.db2.gz WEQIMBMTSUDMKV-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000078973097 341250819 /nfs/dbraw/zinc/25/08/19/341250819.db2.gz AYDKWMKJUNGILI-VXGBXAGGSA-N 0 1 314.341 3.735 20 5 DHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1sccc1Cl ZINC000549467375 341295456 /nfs/dbraw/zinc/29/54/56/341295456.db2.gz CGBLMZBMWCAECF-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN CC[C@@H](NCc1cnc(Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000181543517 522888726 /nfs/dbraw/zinc/88/87/26/522888726.db2.gz MEENCRFVDOZGOF-GFCCVEGCSA-N 0 1 311.794 3.946 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cc(F)ccc21 ZINC000122384285 525460728 /nfs/dbraw/zinc/46/07/28/525460728.db2.gz FWCKAKHUJKUCPL-MRXNPFEDSA-N 0 1 316.332 3.520 20 5 DHBDMN COCC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133422 536808764 /nfs/dbraw/zinc/80/87/64/536808764.db2.gz XFASPAFUEBHKTD-XJKSGUPXSA-N 0 1 318.373 3.925 20 5 DHBDMN Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000475287030 1017117649 /nfs/dbraw/zinc/11/76/49/1017117649.db2.gz MMVJRIWNPFXZTI-PWSUYJOCSA-N 0 1 302.296 3.676 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OCC2CC2)CC1 ZINC000610372090 1014001965 /nfs/dbraw/zinc/00/19/65/1014001965.db2.gz IDJYDKJKANFDFS-CYBMUJFWSA-N 0 1 304.390 3.547 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](Cc3ccc(F)cc3)C2)cs1 ZINC000537624087 1014314535 /nfs/dbraw/zinc/31/45/35/1014314535.db2.gz SXXMZCGAXDEHKN-CYBMUJFWSA-N 0 1 320.389 3.860 20 5 DHBDMN CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000357991825 1014770683 /nfs/dbraw/zinc/77/06/83/1014770683.db2.gz JMJAFVKYBAPXEQ-MRXNPFEDSA-N 0 1 300.358 3.844 20 5 DHBDMN O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610505474 1014807998 /nfs/dbraw/zinc/80/79/98/1014807998.db2.gz MBZSGYKTQTTWEW-KRWDZBQOSA-N 0 1 300.333 3.723 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC[C@H]2c2cccc(F)c2)cc1 ZINC000610505474 1014808009 /nfs/dbraw/zinc/80/80/09/1014808009.db2.gz MBZSGYKTQTTWEW-KRWDZBQOSA-N 0 1 300.333 3.723 20 5 DHBDMN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000121341542 1014813036 /nfs/dbraw/zinc/81/30/36/1014813036.db2.gz RDRBFMKKBOBVHR-AWEZNQCLSA-N 0 1 303.362 3.749 20 5 DHBDMN C[C@@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCCCC1 ZINC000276205663 1014839586 /nfs/dbraw/zinc/83/95/86/1014839586.db2.gz OCKBBAJDWASEPV-LBPRGKRZSA-N 0 1 316.361 3.582 20 5 DHBDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000078973110 1014874794 /nfs/dbraw/zinc/87/47/94/1014874794.db2.gz FCUHKIMGUQJJSV-RYUDHWBXSA-N 0 1 314.341 3.735 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000610517921 1015094868 /nfs/dbraw/zinc/09/48/68/1015094868.db2.gz NVVCNISHSSFRIZ-CYBMUJFWSA-N 0 1 316.405 3.706 20 5 DHBDMN C[C@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOc2ccccc21 ZINC000933371026 1015221282 /nfs/dbraw/zinc/22/12/82/1015221282.db2.gz PRGTZYUVEIIYTE-KRWDZBQOSA-N 0 1 316.332 3.521 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](c2ccncc2)C1 ZINC000846905883 1032144097 /nfs/dbraw/zinc/14/40/97/1032144097.db2.gz MODXMRXQKLOVRC-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccc2c(n1)CCCC2 ZINC000444009369 1016578206 /nfs/dbraw/zinc/57/82/06/1016578206.db2.gz NDKUOQJHZQXTMA-VMPITWQZSA-N 0 1 323.396 3.672 20 5 DHBDMN CC(C)c1ncc(CN(C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000338957799 1016777755 /nfs/dbraw/zinc/77/77/55/1016777755.db2.gz LOIYKHYCOHLJAQ-UHFFFAOYSA-N 0 1 319.430 3.849 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](NCc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512530 1032151986 /nfs/dbraw/zinc/15/19/86/1032151986.db2.gz FHRWOFRYTMCEIO-INIZCTEOSA-N 0 1 312.369 3.907 20 5 DHBDMN CCC[C@@H](NCc1ccc(F)cn1)c1cccc([N+](=O)[O-])c1 ZINC000362128385 1032242509 /nfs/dbraw/zinc/24/25/09/1032242509.db2.gz FRFOAZFBCZQKAG-MRXNPFEDSA-N 0 1 303.337 3.760 20 5 DHBDMN CCOc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000515549304 1012659746 /nfs/dbraw/zinc/65/97/46/1012659746.db2.gz IZMFCQPQBVSKRJ-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN Cc1ccc(CN(CCOc2ccccc2[N+](=O)[O-])C2CC2)o1 ZINC000051968104 1017789057 /nfs/dbraw/zinc/78/90/57/1017789057.db2.gz NXEAKEZLQGJYSR-UHFFFAOYSA-N 0 1 316.357 3.540 20 5 DHBDMN COc1cc2[nH]c(-c3ccc([N+](=O)[O-])cc3F)nc2cc1C ZINC000446146841 1018066545 /nfs/dbraw/zinc/06/65/45/1018066545.db2.gz MCSXQERDDPGBKD-UHFFFAOYSA-N 0 1 301.277 3.594 20 5 DHBDMN CCSc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000187794966 1018086245 /nfs/dbraw/zinc/08/62/45/1018086245.db2.gz JBCAACDHZWWJJX-GFCCVEGCSA-N 0 1 317.414 3.953 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000764627516 1018336363 /nfs/dbraw/zinc/33/63/63/1018336363.db2.gz IWRIAFIGYDMVJX-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000921819335 1018901521 /nfs/dbraw/zinc/90/15/21/1018901521.db2.gz XUZUDWBQTVLMLV-CYBMUJFWSA-N 0 1 314.389 3.676 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278613676 1018926904 /nfs/dbraw/zinc/92/69/04/1018926904.db2.gz FQAZXPQOBRJMFV-MNOVXSKESA-N 0 1 302.296 3.930 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000079724003 1019766350 /nfs/dbraw/zinc/76/63/50/1019766350.db2.gz LBVJMYWINLFQPS-VXGBXAGGSA-N 0 1 315.329 3.915 20 5 DHBDMN CCc1cnc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000281405179 1020338042 /nfs/dbraw/zinc/33/80/42/1020338042.db2.gz HLMLIBIYOOKQHU-UHFFFAOYSA-N 0 1 312.329 3.614 20 5 DHBDMN Cn1cccc1[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179704941 1020433918 /nfs/dbraw/zinc/43/39/18/1020433918.db2.gz NVVMAWOJTJQMLM-SBLNNXNXSA-N 0 1 311.385 3.784 20 5 DHBDMN CC[C@@H](C)N(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)CC ZINC000410683195 1020451845 /nfs/dbraw/zinc/45/18/45/1020451845.db2.gz KRJVSVLSSYCMOL-GHMZBOCLSA-N 0 1 318.377 3.510 20 5 DHBDMN O=[N+]([O-])c1cccc([C@H](N[C@H]2C[C@@H]2C(F)F)c2ccccc2)c1 ZINC000554097365 1020525170 /nfs/dbraw/zinc/52/51/70/1020525170.db2.gz YNOHPKMHRJQLOP-HRCADAONSA-N 0 1 318.323 3.927 20 5 DHBDMN Cc1ccc(OCCNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000734835297 1020668217 /nfs/dbraw/zinc/66/82/17/1020668217.db2.gz SIDGLAGHTGZCEE-UHFFFAOYSA-N 0 1 320.776 3.725 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000579960099 1020794090 /nfs/dbraw/zinc/79/40/90/1020794090.db2.gz TYPGNGDWTOHCLQ-PHIMTYICSA-N 0 1 314.307 3.846 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000579960099 1020794098 /nfs/dbraw/zinc/79/40/98/1020794098.db2.gz TYPGNGDWTOHCLQ-PHIMTYICSA-N 0 1 314.307 3.846 20 5 DHBDMN COc1cnccc1[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188781016 1021173063 /nfs/dbraw/zinc/17/30/63/1021173063.db2.gz JXTCHMQOFAONSC-QWHCGFSZSA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000926796448 1021280807 /nfs/dbraw/zinc/28/08/07/1021280807.db2.gz NZYBKGUHIZRCBR-NSHDSACASA-N 0 1 304.321 3.599 20 5 DHBDMN O=C(OC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000917943157 1021395233 /nfs/dbraw/zinc/39/52/33/1021395233.db2.gz IDXGZHREFPMLOV-UHFFFAOYSA-N 0 1 320.304 3.850 20 5 DHBDMN COc1cc(CNCc2ccc(Cl)cc2[N+](=O)[O-])ccc1C ZINC000892698055 1021489982 /nfs/dbraw/zinc/48/99/82/1021489982.db2.gz YJABHLKDSRQEQL-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CN(C)c1cccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000892926136 1021684648 /nfs/dbraw/zinc/68/46/48/1021684648.db2.gz HLBPFZFCLFBSDF-UHFFFAOYSA-N 0 1 319.792 3.604 20 5 DHBDMN CCOc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000556413582 1021709465 /nfs/dbraw/zinc/70/94/65/1021709465.db2.gz OSDCEPFNCLSJHV-UHFFFAOYSA-N 0 1 320.776 3.937 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000619782634 1021895872 /nfs/dbraw/zinc/89/58/72/1021895872.db2.gz HGSDMEYHBUAJFT-LLVKDONJSA-N 0 1 306.387 3.906 20 5 DHBDMN O=C(C[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000122659814 1021898528 /nfs/dbraw/zinc/89/85/28/1021898528.db2.gz VAXNKWRVTREMCD-SFHVURJKSA-N 0 1 324.380 3.832 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000556858970 1021906085 /nfs/dbraw/zinc/90/60/85/1021906085.db2.gz QBBWCSFVUDIZSI-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)c(Cl)c1 ZINC000920164489 1022067718 /nfs/dbraw/zinc/06/77/18/1022067718.db2.gz WHEKIZZDKMLBIB-ZETCQYMHSA-N 0 1 312.684 3.633 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)cc1F ZINC000852594143 1022145037 /nfs/dbraw/zinc/14/50/37/1022145037.db2.gz AASVSGBRFSWOGE-WMLDXEAASA-N 0 1 322.380 3.515 20 5 DHBDMN CCN(Cc1c(F)cccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041639 1022224231 /nfs/dbraw/zinc/22/42/31/1022224231.db2.gz BTTZIWQKHYEUGD-NEPJUHHUSA-N 0 1 314.788 3.746 20 5 DHBDMN CC(C)(C)c1cc2c([nH]c(-c3ccc([N+](=O)[O-])o3)nc2=O)s1 ZINC000416412320 1022314949 /nfs/dbraw/zinc/31/49/49/1022314949.db2.gz MKTOOLVPOHSAJP-UHFFFAOYSA-N 0 1 319.342 3.863 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSCCC1SCCS1 ZINC000853798934 1022350554 /nfs/dbraw/zinc/35/05/54/1022350554.db2.gz JYVVWXJJBRHHLT-UHFFFAOYSA-N 0 1 317.457 3.730 20 5 DHBDMN CCCCCCN(C)CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000854509844 1022485054 /nfs/dbraw/zinc/48/50/54/1022485054.db2.gz BLJFTETWBUAQIH-UHFFFAOYSA-N 0 1 321.421 3.662 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(F)cn1)CCCC2 ZINC000417318378 1022673809 /nfs/dbraw/zinc/67/38/09/1022673809.db2.gz YQIYRUNCALZLFD-KRWDZBQOSA-N 0 1 315.348 3.686 20 5 DHBDMN CSC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000312743959 1023144034 /nfs/dbraw/zinc/14/40/34/1023144034.db2.gz VWURQOKBCYGFFX-LLVKDONJSA-N 0 1 314.838 3.823 20 5 DHBDMN Cc1ccc(CNCc2ccccc2OC(F)F)cc1[N+](=O)[O-] ZINC000123971147 1023193092 /nfs/dbraw/zinc/19/30/92/1023193092.db2.gz VVNRCDUNIPOCPY-UHFFFAOYSA-N 0 1 322.311 3.794 20 5 DHBDMN CCOc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000236950534 1023219409 /nfs/dbraw/zinc/21/94/09/1023219409.db2.gz PDEQQJJOVNFLHG-UHFFFAOYSA-N 0 1 300.358 3.592 20 5 DHBDMN CCCCCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000771224744 1023414154 /nfs/dbraw/zinc/41/41/54/1023414154.db2.gz PSXKJIANCBZGIY-UHFFFAOYSA-N 0 1 324.406 3.718 20 5 DHBDMN Cc1nc(F)ccc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000787088885 1023756462 /nfs/dbraw/zinc/75/64/62/1023756462.db2.gz VYIPRMPBPRMKMB-UHFFFAOYSA-N 0 1 317.364 3.848 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCc2ccccc21 ZINC000788010952 1023836990 /nfs/dbraw/zinc/83/69/90/1023836990.db2.gz UQQCFUYZOQFSAJ-INIZCTEOSA-N 0 1 300.333 3.853 20 5 DHBDMN C[C@H](NCc1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498561 1023895590 /nfs/dbraw/zinc/89/55/90/1023895590.db2.gz NNUBXHGFDQQBON-JTQLQIEISA-N 0 1 305.765 3.681 20 5 DHBDMN CC[C@H](N[C@@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738047 1024290801 /nfs/dbraw/zinc/29/08/01/1024290801.db2.gz GJMIZFGBIWKCQJ-ROUUACIJSA-N 0 1 314.385 3.678 20 5 DHBDMN CCSc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000883237284 1024310863 /nfs/dbraw/zinc/31/08/63/1024310863.db2.gz XGDXREAJJANGTQ-UHFFFAOYSA-N 0 1 302.399 3.997 20 5 DHBDMN COc1ccc(CN[C@H](C)c2csc(C)c2)cc1[N+](=O)[O-] ZINC000453092044 1024325068 /nfs/dbraw/zinc/32/50/68/1024325068.db2.gz VLDRFRVKKRFXIE-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000105461638 1024384181 /nfs/dbraw/zinc/38/41/81/1024384181.db2.gz OWIRGOMPDZPUQU-SNVBAGLBSA-N 0 1 306.749 3.805 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000271267618 1024479687 /nfs/dbraw/zinc/47/96/87/1024479687.db2.gz ACBMJSPWYMZCJO-SNVBAGLBSA-N 0 1 321.764 3.503 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1n[nH]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000271473157 1024516486 /nfs/dbraw/zinc/51/64/86/1024516486.db2.gz IPCXVTUCFDDMBB-SMDDNHRTSA-N 0 1 317.393 3.638 20 5 DHBDMN CN(Cc1ccc(F)c(Cl)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127855 1024571805 /nfs/dbraw/zinc/57/18/05/1024571805.db2.gz ZWTSINXLCHBGFL-UHFFFAOYSA-N 0 1 324.739 3.725 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN(Cc1ccccn1)C1CC1 ZINC000349237591 1024691978 /nfs/dbraw/zinc/69/19/78/1024691978.db2.gz FVOCEVGBYRSCEJ-ALCCZGGFSA-N 0 1 309.369 3.668 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(OC(C)(C)C)CC1 ZINC000119033339 1024940817 /nfs/dbraw/zinc/94/08/17/1024940817.db2.gz RJIZWWPKHOFSIW-ZDUSSCGKSA-N 0 1 306.406 3.935 20 5 DHBDMN CCC1(CC)CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000353607770 1025149388 /nfs/dbraw/zinc/14/93/88/1025149388.db2.gz AZAGDEVSPBFSJQ-UHFFFAOYSA-N 0 1 322.405 3.624 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccc3cc[nH]c3n2)cccc1[N+](=O)[O-] ZINC000353626450 1025161954 /nfs/dbraw/zinc/16/19/54/1025161954.db2.gz HWYZJSXYGQTWBE-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cs1 ZINC000859929513 1033270867 /nfs/dbraw/zinc/27/08/67/1033270867.db2.gz ACAIBUDIZKTGAA-HRCADAONSA-N 0 1 314.410 3.892 20 5 DHBDMN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885956734 1025419623 /nfs/dbraw/zinc/41/96/23/1025419623.db2.gz XOBIJKAODFDINE-AWEZNQCLSA-N 0 1 311.385 3.791 20 5 DHBDMN O=[N+]([O-])c1ncccc1CN1CCC(c2ccc(F)cc2)CC1 ZINC000886038530 1025448899 /nfs/dbraw/zinc/44/88/99/1025448899.db2.gz XFZOORROGLDFJQ-UHFFFAOYSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1cccc(C2(NCc3cccnc3[N+](=O)[O-])CCCC2)c1 ZINC000886061840 1025460176 /nfs/dbraw/zinc/46/01/76/1025460176.db2.gz AHJSMQWIOQZTIR-UHFFFAOYSA-N 0 1 311.385 3.857 20 5 DHBDMN CC(C)c1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000342819254 1025511708 /nfs/dbraw/zinc/51/17/08/1025511708.db2.gz AMMLVCYWIWLXGP-FUHWJXTLSA-N 0 1 318.417 3.862 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H](SC)C1 ZINC000355220482 1025647368 /nfs/dbraw/zinc/64/73/68/1025647368.db2.gz LHXDBQWUMRKBST-HNNXBMFYSA-N 0 1 324.446 3.711 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886609126 1025735124 /nfs/dbraw/zinc/73/51/24/1025735124.db2.gz MPGCMCPZPWOFJE-JSGCOSHPSA-N 0 1 314.307 3.759 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC2(CCCC2)C1 ZINC000614222694 1025955134 /nfs/dbraw/zinc/95/51/34/1025955134.db2.gz ZQACSUXEEIIVGY-CQSZACIVSA-N 0 1 304.390 3.548 20 5 DHBDMN CCc1nc2c(s1)[C@@H](NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000089512748 1026052963 /nfs/dbraw/zinc/05/29/63/1026052963.db2.gz FPTUCFWWIZRCPS-LBPRGKRZSA-N 0 1 317.414 3.781 20 5 DHBDMN COC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668037 1026060872 /nfs/dbraw/zinc/06/08/72/1026060872.db2.gz RTAOXVRCMQJLPI-YOEHRIQHSA-N 0 1 314.385 3.942 20 5 DHBDMN CC(C)c1nc([C@@H]2CCCCN2c2ccccc2[N+](=O)[O-])n[nH]1 ZINC000289763154 1026162472 /nfs/dbraw/zinc/16/24/72/1026162472.db2.gz QLLFXWSOGUVDBX-AWEZNQCLSA-N 0 1 315.377 3.568 20 5 DHBDMN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356804862 1026177167 /nfs/dbraw/zinc/17/71/67/1026177167.db2.gz PHCYJJTTWTWXQJ-UHFFFAOYSA-N 0 1 323.308 3.548 20 5 DHBDMN Cc1cccc(C(C)C)c1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356941500 1026235410 /nfs/dbraw/zinc/23/54/10/1026235410.db2.gz YXNROSKGSFRBGF-UHFFFAOYSA-N 0 1 314.341 3.985 20 5 DHBDMN CC1(C)CC[C@H]1NCc1c(Br)cccc1[N+](=O)[O-] ZINC000808422240 1026284658 /nfs/dbraw/zinc/28/46/58/1026284658.db2.gz ZQZVDUONHQKZMI-GFCCVEGCSA-N 0 1 313.195 3.636 20 5 DHBDMN CC[C@@]1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000809986604 1026656064 /nfs/dbraw/zinc/65/60/64/1026656064.db2.gz KMCABXPWHMLNBP-CYBMUJFWSA-N 0 1 319.188 3.560 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420956471 1026893458 /nfs/dbraw/zinc/89/34/58/1026893458.db2.gz YJVLTCPPOPOOMK-LLVKDONJSA-N 0 1 302.296 3.759 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ncco2)CC1 ZINC000931451966 1027128576 /nfs/dbraw/zinc/12/85/76/1027128576.db2.gz XRPHIRRHKBXJQD-LBPRGKRZSA-N 0 1 301.346 3.523 20 5 DHBDMN COc1ccc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1C ZINC000933490566 1027745817 /nfs/dbraw/zinc/74/58/17/1027745817.db2.gz ZNYFFFPAJRMQRQ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1ncc([C@@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299988 1028067374 /nfs/dbraw/zinc/06/73/74/1028067374.db2.gz RWZOOXHPYNCXSV-RNCFNFMXSA-N 0 1 303.387 3.698 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934691235 1028075916 /nfs/dbraw/zinc/07/59/16/1028075916.db2.gz GUZDEABMOMDCHS-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN CN(CCc1cccc(F)c1F)Cc1ccccc1[N+](=O)[O-] ZINC000563648604 1028147689 /nfs/dbraw/zinc/14/76/89/1028147689.db2.gz FQOIBGNTQZRSBE-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2cc3cccnc3o2)C2CC2)cc1 ZINC000449009104 1028255295 /nfs/dbraw/zinc/25/52/95/1028255295.db2.gz GVTLAUFTFCJEPZ-UHFFFAOYSA-N 0 1 323.352 3.901 20 5 DHBDMN COc1cccc([C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])c1 ZINC000009902480 1028527817 /nfs/dbraw/zinc/52/78/17/1028527817.db2.gz YEZXUCPFOIDZIB-KRWDZBQOSA-N 0 1 312.369 3.941 20 5 DHBDMN C[C@H](NCc1ccc([C@@H]2C[C@@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562067 1028543671 /nfs/dbraw/zinc/54/36/71/1028543671.db2.gz WGPJWQUZDCMNNG-COPLHBTASA-N 0 1 315.373 3.744 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccn(C(C)C)n1 ZINC000568460720 1029073531 /nfs/dbraw/zinc/07/35/31/1029073531.db2.gz RZEJAJUMLAOPAK-ZROIWOOFSA-N 0 1 314.389 3.565 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1CC(OC(C)(C)C)C1 ZINC000817287141 1029113665 /nfs/dbraw/zinc/11/36/65/1029113665.db2.gz KRWHALIBWBKRIT-UHFFFAOYSA-N 0 1 310.369 3.512 20 5 DHBDMN Cc1cc(C[C@H](C)Nc2ccc([N+](=O)[O-])cc2C(F)F)[nH]n1 ZINC000865622434 1029946263 /nfs/dbraw/zinc/94/62/63/1029946263.db2.gz VYFVKEKFDZHKQM-QMMMGPOBSA-N 0 1 310.304 3.607 20 5 DHBDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1C ZINC000290421414 1030044861 /nfs/dbraw/zinc/04/48/61/1030044861.db2.gz KRPGBEQJNXKRHL-INIZCTEOSA-N 0 1 314.389 3.580 20 5 DHBDMN CC1(C)C[C@@H](NCc2ccnc(F)c2)c2cc([N+](=O)[O-])ccc21 ZINC000866474829 1030312601 /nfs/dbraw/zinc/31/26/01/1030312601.db2.gz OJACRENLKBQHQG-OAHLLOKOSA-N 0 1 315.348 3.641 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000866540103 1030360862 /nfs/dbraw/zinc/36/08/62/1030360862.db2.gz VYFKTEAFZOBBQQ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccc(C)n1 ZINC000347379512 1030484300 /nfs/dbraw/zinc/48/43/00/1030484300.db2.gz VNKZABSHEWXVER-GXDHUFHOSA-N 0 1 311.385 3.834 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(C)n1 ZINC000347379512 1030484305 /nfs/dbraw/zinc/48/43/05/1030484305.db2.gz VNKZABSHEWXVER-GXDHUFHOSA-N 0 1 311.385 3.834 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000926492975 1030764643 /nfs/dbraw/zinc/76/46/43/1030764643.db2.gz KCWXFYLDQCSZFX-QWHCGFSZSA-N 0 1 314.389 3.928 20 5 DHBDMN CC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926891221 1030973493 /nfs/dbraw/zinc/97/34/93/1030973493.db2.gz HLHVBEYILRMPEU-IUODEOHRSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc2c1OCC2 ZINC000927092181 1031081152 /nfs/dbraw/zinc/08/11/52/1031081152.db2.gz ZIWXJBDOOYFCEO-CYBMUJFWSA-N 0 1 312.369 3.689 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)C1CC1 ZINC000192502875 1031208536 /nfs/dbraw/zinc/20/85/36/1031208536.db2.gz PONOLXMEDFDSLL-SFHVURJKSA-N 0 1 312.369 3.844 20 5 DHBDMN CC(F)(F)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000292844017 1031209587 /nfs/dbraw/zinc/20/95/87/1031209587.db2.gz BHXMYHCYPKBCNX-UHFFFAOYSA-N 0 1 306.312 3.996 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSCc1ccc2c(c1)COC2 ZINC000844648295 1031280447 /nfs/dbraw/zinc/28/04/47/1031280447.db2.gz UHUNVJNBQSGXIS-UHFFFAOYSA-N 0 1 317.366 3.764 20 5 DHBDMN CO[C@@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023443 1031407371 /nfs/dbraw/zinc/40/73/71/1031407371.db2.gz HKCZWCBYOZFUFE-WBMJQRKESA-N 0 1 318.348 3.772 20 5 DHBDMN CO[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023441 1031408654 /nfs/dbraw/zinc/40/86/54/1031408654.db2.gz HKCZWCBYOZFUFE-MLGOLLRUSA-N 0 1 318.348 3.772 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccn(C)c1 ZINC000872040733 1031425194 /nfs/dbraw/zinc/42/51/94/1031425194.db2.gz MUDYRLGYFFMAKG-LLVKDONJSA-N 0 1 305.403 3.506 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536860744 1031460291 /nfs/dbraw/zinc/46/02/91/1031460291.db2.gz AWSSKATYKWGODC-CXAGYDPISA-N 0 1 312.369 3.996 20 5 DHBDMN O=C(Nc1cccc(C2CCC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360892889 1031605450 /nfs/dbraw/zinc/60/54/50/1031605450.db2.gz BBAROZARBGOWFF-UHFFFAOYSA-N 0 1 312.325 3.820 20 5 DHBDMN Cc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)n1 ZINC000877730023 1033423837 /nfs/dbraw/zinc/42/38/37/1033423837.db2.gz KBEIROIOEGVXMV-UHFFFAOYSA-N 0 1 305.765 3.550 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000152988968 1033554012 /nfs/dbraw/zinc/55/40/12/1033554012.db2.gz NLUBIEFVFGWDFZ-ZDUSSCGKSA-N 0 1 315.373 3.548 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@@H]2C)c1F ZINC001173187081 1033584729 /nfs/dbraw/zinc/58/47/29/1033584729.db2.gz WMFSSOCOHGGEHH-RYUDHWBXSA-N 0 1 310.369 3.548 20 5 DHBDMN CCCc1cccc(CNCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000479455205 1033761367 /nfs/dbraw/zinc/76/13/67/1033761367.db2.gz RRUZOCRFASJLLI-UHFFFAOYSA-N 0 1 314.385 3.846 20 5 DHBDMN CCSc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000185470655 1034552573 /nfs/dbraw/zinc/55/25/73/1034552573.db2.gz YHMPUMQNXDJZQS-UHFFFAOYSA-N 0 1 302.399 3.997 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCCC4(CC4)C3)co2)cc1 ZINC000186989903 1034677974 /nfs/dbraw/zinc/67/79/74/1034677974.db2.gz VTKNNKVVAYZSPU-UHFFFAOYSA-N 0 1 313.357 3.626 20 5 DHBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000600182361 1034795212 /nfs/dbraw/zinc/79/52/12/1034795212.db2.gz AYHUZLRCEVORHQ-BXLSQVKPSA-N 0 1 310.344 3.831 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccc3F)C2)c(F)c1 ZINC000555582987 1034825874 /nfs/dbraw/zinc/82/58/74/1034825874.db2.gz KIJYUUBLXYIBPA-LBPRGKRZSA-N 0 1 318.323 3.863 20 5 DHBDMN C[C@@]1(c2ccc(F)cc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000482560057 1035135493 /nfs/dbraw/zinc/13/54/93/1035135493.db2.gz SVIQJHLVCRXFRE-MRXNPFEDSA-N 0 1 320.389 3.959 20 5 DHBDMN C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001175984642 1035173780 /nfs/dbraw/zinc/17/37/80/1035173780.db2.gz WTNJTRNCSBPBFW-LLVKDONJSA-N 0 1 309.366 3.617 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(N(C)C)c1 ZINC000535553041 1035688202 /nfs/dbraw/zinc/68/82/02/1035688202.db2.gz GIKNKLPDFYBBMY-AWEZNQCLSA-N 0 1 313.401 3.854 20 5 DHBDMN C[C@@H]1CSCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000539841153 1035896814 /nfs/dbraw/zinc/89/68/14/1035896814.db2.gz RHVHFHMJWCJAGU-GFCCVEGCSA-N 0 1 318.398 3.792 20 5 DHBDMN C[C@H]1CSCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000539840672 1035904389 /nfs/dbraw/zinc/90/43/89/1035904389.db2.gz JLKXAHKTFVWNMA-LBPRGKRZSA-N 0 1 318.398 3.792 20 5 DHBDMN COc1cc(CN(C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000485749620 1035937114 /nfs/dbraw/zinc/93/71/14/1035937114.db2.gz YXBGRVDETRPPSB-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN C[C@H](Cc1cccc(F)c1)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC001195010970 1036106495 /nfs/dbraw/zinc/10/64/95/1036106495.db2.gz BJAAIMRSMWQSCU-GFCCVEGCSA-N 0 1 320.339 3.936 20 5 DHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccccc3Cl)no2)c1 ZINC000486075419 1036117564 /nfs/dbraw/zinc/11/75/64/1036117564.db2.gz FDYCCQBXPSXSIC-UHFFFAOYSA-N 0 1 317.688 3.671 20 5 DHBDMN Cc1nn(CN(CCC(C)C)CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000914567874 1036118271 /nfs/dbraw/zinc/11/82/71/1036118271.db2.gz NOJBSXSQEPEKSD-UHFFFAOYSA-N 0 1 310.442 3.760 20 5 DHBDMN CC(C)[C@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636541 1036601268 /nfs/dbraw/zinc/60/12/68/1036601268.db2.gz VGWWANJSYGJETO-CQSZACIVSA-N 0 1 322.796 3.676 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2scnc2C)cc1[N+](=O)[O-] ZINC000153627364 1036938989 /nfs/dbraw/zinc/93/89/89/1036938989.db2.gz JKGHCRGWIUCJRO-SNVBAGLBSA-N 0 1 321.402 3.609 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C(C)(C)C)CC1 ZINC001198800931 1037137640 /nfs/dbraw/zinc/13/76/40/1037137640.db2.gz NNWMITOICIVDKM-CJNGLKHVSA-N 0 1 306.406 3.793 20 5 DHBDMN O=[N+]([O-])c1cc(O)cc(Nc2ccncc2Oc2ccccc2)c1 ZINC001199802818 1037342951 /nfs/dbraw/zinc/34/29/51/1037342951.db2.gz ZCPANRLUKYOFHZ-UHFFFAOYSA-N 0 1 323.308 3.653 20 5 DHBDMN COc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000761528373 1037349444 /nfs/dbraw/zinc/34/94/44/1037349444.db2.gz SRAKHZXBZNCDIU-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000609234549 1037462092 /nfs/dbraw/zinc/46/20/92/1037462092.db2.gz URXXKOBTEJKUKB-GOSISDBHSA-N 0 1 312.369 3.558 20 5 DHBDMN C[C@@H]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052446 1037500116 /nfs/dbraw/zinc/50/01/16/1037500116.db2.gz DHJRFZABHSYDCG-WBMJQRKESA-N 0 1 319.361 3.515 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCc2ccccc21 ZINC000029484802 1037756506 /nfs/dbraw/zinc/75/65/06/1037756506.db2.gz DCLLTOAOYSJMPY-KRWDZBQOSA-N 0 1 312.369 3.723 20 5 DHBDMN CC[C@H](NCc1cn2ccnc2s1)c1cccc([N+](=O)[O-])c1 ZINC001201769369 1037887888 /nfs/dbraw/zinc/88/78/88/1037887888.db2.gz GLRPRMRYJRBNJI-AWEZNQCLSA-N 0 1 316.386 3.545 20 5 DHBDMN C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000491181846 1037925059 /nfs/dbraw/zinc/92/50/59/1037925059.db2.gz GUBKOXJQZFMANP-ZDUSSCGKSA-N 0 1 302.349 3.969 20 5 DHBDMN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191038340 1038423754 /nfs/dbraw/zinc/42/37/54/1038423754.db2.gz IVBBAYUHARNUIR-QGZVFWFLSA-N 0 1 312.369 3.810 20 5 DHBDMN CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191038340 1038423764 /nfs/dbraw/zinc/42/37/64/1038423764.db2.gz IVBBAYUHARNUIR-QGZVFWFLSA-N 0 1 312.369 3.810 20 5 DHBDMN O=[N+]([O-])c1sccc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000603601869 1039074436 /nfs/dbraw/zinc/07/44/36/1039074436.db2.gz GYRDTMKGWPERRL-UHFFFAOYSA-N 0 1 304.356 3.593 20 5 DHBDMN COc1cc(CNC2(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000592140057 1039132971 /nfs/dbraw/zinc/13/29/71/1039132971.db2.gz WSIFHTJTSOCEGA-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN C[C@@H]1CC2(CN1Cc1ccc(Cl)cc1[N+](=O)[O-])CCOCC2 ZINC000592181475 1039162077 /nfs/dbraw/zinc/16/20/77/1039162077.db2.gz FBTDLLQEEODISR-GFCCVEGCSA-N 0 1 324.808 3.639 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@@H]3C3CCC3)nc2c1 ZINC000592197411 1039182195 /nfs/dbraw/zinc/18/21/95/1039182195.db2.gz CBSNUROMCMRDDG-MRXNPFEDSA-N 0 1 314.389 3.626 20 5 DHBDMN C[C@@H](c1ccccc1F)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603855083 1039189703 /nfs/dbraw/zinc/18/97/03/1039189703.db2.gz AYOSFFFIIFWSHB-ZDUSSCGKSA-N 0 1 318.348 3.806 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000168201039 1039807046 /nfs/dbraw/zinc/80/70/46/1039807046.db2.gz KRNBRSLHOXWLMQ-GHMZBOCLSA-N 0 1 303.362 3.920 20 5 DHBDMN COc1c(C)cccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594512572 1039818032 /nfs/dbraw/zinc/81/80/32/1039818032.db2.gz WFSKPAIYVKPDSQ-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN COCc1csc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000594925596 1039930326 /nfs/dbraw/zinc/93/03/26/1039930326.db2.gz OODOQODIHOOLIO-NSHDSACASA-N 0 1 306.387 3.654 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CCc2ccccc21 ZINC000595003275 1040014096 /nfs/dbraw/zinc/01/40/96/1040014096.db2.gz FWBQUVMNVGIPGS-SJKOYZFVSA-N 0 1 312.369 3.942 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cccc(C)c1 ZINC000595003412 1040014778 /nfs/dbraw/zinc/01/47/78/1040014778.db2.gz FSWJGQKUUGCJPU-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000595288973 1040090198 /nfs/dbraw/zinc/09/01/98/1040090198.db2.gz CTTUMZNBQGIQSC-MRXNPFEDSA-N 0 1 300.333 3.853 20 5 DHBDMN Cc1noc(CN2CCC[C@H]2CCC2CCCC2)c1[N+](=O)[O-] ZINC000595352813 1040124996 /nfs/dbraw/zinc/12/49/96/1040124996.db2.gz OLJDIXLKNRHEOB-AWEZNQCLSA-N 0 1 307.394 3.826 20 5 DHBDMN CC[C@@H](NCc1onc(C)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000595420394 1040132612 /nfs/dbraw/zinc/13/26/12/1040132612.db2.gz CUBQYUKQZKCLFA-OAHLLOKOSA-N 0 1 317.389 3.737 20 5 DHBDMN CC[C@H](NCc1onc(C)c1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000595420392 1040133634 /nfs/dbraw/zinc/13/36/34/1040133634.db2.gz CUBQYUKQZKCLFA-HNNXBMFYSA-N 0 1 317.389 3.737 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC([C@@H]2CCCCO2)CC1 ZINC000595782949 1040251665 /nfs/dbraw/zinc/25/16/65/1040251665.db2.gz KNHITMWWDUPXRI-KRWDZBQOSA-N 0 1 322.380 3.515 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000595827561 1040267086 /nfs/dbraw/zinc/26/70/86/1040267086.db2.gz DIHVRMOQRGIQLL-GFCCVEGCSA-N 0 1 301.346 3.523 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H]4C[C@H]4C3)cs2)c1 ZINC000597223593 1040703891 /nfs/dbraw/zinc/70/38/91/1040703891.db2.gz QOGXIMOKEQPCPS-AAEUAGOBSA-N 0 1 315.398 3.560 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022745655 182332451 /nfs/dbraw/zinc/33/24/51/182332451.db2.gz QBOKKMOAFDYLBJ-ZDUSSCGKSA-N 0 1 300.358 3.796 20 5 DHBDMN COc1cccc(C2(NCc3ccc([N+](=O)[O-])cc3C)CC2)c1 ZINC000273396372 130115514 /nfs/dbraw/zinc/11/55/14/130115514.db2.gz KYWUIYBPKQTRQT-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN Cc1cc(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)[nH]n1 ZINC000273443394 130122394 /nfs/dbraw/zinc/12/23/94/130122394.db2.gz GMQQINNNHFXVGL-UHFFFAOYSA-N 0 1 320.780 3.664 20 5 DHBDMN C[C@H](NCC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000538124207 331664112 /nfs/dbraw/zinc/66/41/12/331664112.db2.gz GVKSYLYLVXLZJT-ZDUSSCGKSA-N 0 1 310.353 3.721 20 5 DHBDMN Cc1nsc(C)c1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584270307 332178009 /nfs/dbraw/zinc/17/80/09/332178009.db2.gz IDJRUPIZOYEGGB-JTQLQIEISA-N 0 1 305.403 3.827 20 5 DHBDMN CC/C=C/CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449450945 332204888 /nfs/dbraw/zinc/20/48/88/332204888.db2.gz CAVPYDWYQCWKOO-ONEGZZNKSA-N 0 1 303.387 3.774 20 5 DHBDMN C[C@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449463612 332237608 /nfs/dbraw/zinc/23/76/08/332237608.db2.gz WPTHBRPZDZPNJA-CMPLNLGQSA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1c(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000180437184 333028398 /nfs/dbraw/zinc/02/83/98/333028398.db2.gz OCKBKSHCHQYCCJ-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(C)cc1 ZINC000430225912 334002642 /nfs/dbraw/zinc/00/26/42/334002642.db2.gz ZLWHCXNGUGSNOT-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1cc(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271654495 334025291 /nfs/dbraw/zinc/02/52/91/334025291.db2.gz VWQDZANKGMURHX-ZDUSSCGKSA-N 0 1 314.389 3.567 20 5 DHBDMN Cc1cccc([C@@H](NCc2c([N+](=O)[O-])ncn2C)C(C)(C)C)c1 ZINC000342047115 334504570 /nfs/dbraw/zinc/50/45/70/334504570.db2.gz XIIWQSIAIFIVCU-OAHLLOKOSA-N 0 1 316.405 3.514 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000192466099 336034946 /nfs/dbraw/zinc/03/49/46/336034946.db2.gz WRYZQVQFKPTPHW-VXGBXAGGSA-N 0 1 314.341 3.735 20 5 DHBDMN CO[C@@](C)(CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000324056767 336046685 /nfs/dbraw/zinc/04/66/85/336046685.db2.gz ZIHVELVASNJDPT-KRWDZBQOSA-N 0 1 315.373 3.678 20 5 DHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(O)cc(F)c1 ZINC000352002314 336188036 /nfs/dbraw/zinc/18/80/36/336188036.db2.gz KQGUITWISUEYGR-UHFFFAOYSA-N 0 1 318.348 3.850 20 5 DHBDMN CCS[C@@H]1CCC[C@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370653 336214705 /nfs/dbraw/zinc/21/47/05/336214705.db2.gz BPAVYRXJFNJGQY-ZIAGYGMSSA-N 0 1 316.373 3.637 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2cscc2C(F)(F)F)cc1 ZINC000352836589 336272479 /nfs/dbraw/zinc/27/24/79/336272479.db2.gz VBXGYQNXNMWHRJ-UHFFFAOYSA-N 0 1 316.304 3.965 20 5 DHBDMN O=[N+]([O-])c1ccc(Sc2nc(CCC3CCCC3)n[nH]2)cc1 ZINC000301058996 336287733 /nfs/dbraw/zinc/28/77/33/336287733.db2.gz AVQFNQYZTHTCEF-UHFFFAOYSA-N 0 1 318.402 3.987 20 5 DHBDMN O=[N+]([O-])c1ccc(Sc2n[nH]c(CCC3CCCC3)n2)cc1 ZINC000301058996 336287734 /nfs/dbraw/zinc/28/77/34/336287734.db2.gz AVQFNQYZTHTCEF-UHFFFAOYSA-N 0 1 318.402 3.987 20 5 DHBDMN Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3F)[nH]c21 ZINC000301869125 336335280 /nfs/dbraw/zinc/33/52/80/336335280.db2.gz GVADFGDUFSDKNM-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN CC(C)c1ccc(CNCc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353038172 336386814 /nfs/dbraw/zinc/38/68/14/336386814.db2.gz YKRDCEYZRJUFEC-UHFFFAOYSA-N 0 1 324.384 3.656 20 5 DHBDMN Cc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000173018810 337133020 /nfs/dbraw/zinc/13/30/20/337133020.db2.gz SOLXURAOUUKXTO-UHFFFAOYSA-N 0 1 322.324 3.546 20 5 DHBDMN CCS[C@@H]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349388 337140936 /nfs/dbraw/zinc/14/09/36/337140936.db2.gz JKLRWVBRFQKMLR-NWDGAFQWSA-N 0 1 300.449 3.762 20 5 DHBDMN O=[N+]([O-])c1cccc([C@@H](N[C@@H]2C[C@H]3CC[C@@H]2O3)c2ccccc2)c1 ZINC000180549614 337176291 /nfs/dbraw/zinc/17/62/91/337176291.db2.gz CUZBOPHFBIEPQH-YRXWBPOGSA-N 0 1 324.380 3.594 20 5 DHBDMN CC(C)COC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255148494 337601449 /nfs/dbraw/zinc/60/14/49/337601449.db2.gz LSIJRLZUJJICAQ-ALCCZGGFSA-N 0 1 318.417 3.745 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCCCCC1 ZINC000426265926 338024038 /nfs/dbraw/zinc/02/40/38/338024038.db2.gz WKQWHUQIGPGWAV-CQSZACIVSA-N 0 1 306.406 3.673 20 5 DHBDMN CCSCC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194303 338100558 /nfs/dbraw/zinc/10/05/58/338100558.db2.gz JANFDLOJAOSNNS-LBPRGKRZSA-N 0 1 312.435 3.567 20 5 DHBDMN CN(CCSCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000430741155 338112980 /nfs/dbraw/zinc/11/29/80/338112980.db2.gz LQSHGHNEXAIAQC-UHFFFAOYSA-N 0 1 316.426 3.960 20 5 DHBDMN COc1cc(-c2nc3c(cccc3Cl)[nH]2)cc([N+](=O)[O-])c1O ZINC000436743915 338285225 /nfs/dbraw/zinc/28/52/25/338285225.db2.gz ZHLRHUCBHQXHGX-UHFFFAOYSA-N 0 1 319.704 3.506 20 5 DHBDMN CC(C)N(C)c1ccccc1CNCc1cccc([N+](=O)[O-])c1 ZINC000438334482 338339921 /nfs/dbraw/zinc/33/99/21/338339921.db2.gz XSWLYZHXLSJFKK-UHFFFAOYSA-N 0 1 313.401 3.729 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cnccc2C)cc1[N+](=O)[O-] ZINC000453318369 338823909 /nfs/dbraw/zinc/82/39/09/338823909.db2.gz BIPXQTVDVPAZPM-ZDUSSCGKSA-N 0 1 315.373 3.548 20 5 DHBDMN CC[C@@H](NCc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459430909 339028774 /nfs/dbraw/zinc/02/87/74/339028774.db2.gz RUHPIXJXIFDXLD-MRXNPFEDSA-N 0 1 312.373 3.503 20 5 DHBDMN CC[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCO1 ZINC000467562022 339242897 /nfs/dbraw/zinc/24/28/97/339242897.db2.gz IQUDMJOZCVJNQM-HNNXBMFYSA-N 0 1 306.406 3.719 20 5 DHBDMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000470009406 339308337 /nfs/dbraw/zinc/30/83/37/339308337.db2.gz PETQKSPCIHTQLG-GFCCVEGCSA-N 0 1 302.296 3.758 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(F)ccc1F ZINC000511060711 340319764 /nfs/dbraw/zinc/31/97/64/340319764.db2.gz VDUJUVBBKSTKCL-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN CC(C)c1ccc(CN(C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000511667952 340334604 /nfs/dbraw/zinc/33/46/04/340334604.db2.gz QNQBZYWJZWLLOI-OAHLLOKOSA-N 0 1 306.406 3.719 20 5 DHBDMN CCc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)nc1 ZINC000549366549 341292565 /nfs/dbraw/zinc/29/25/65/341292565.db2.gz NRIZXUXZYDNBAS-UHFFFAOYSA-N 0 1 313.401 3.963 20 5 DHBDMN O=[N+]([O-])c1cccc([C@@H](N[C@H]2C[C@@H]2C(F)F)c2ccccc2)c1 ZINC000554097366 341444222 /nfs/dbraw/zinc/44/42/22/341444222.db2.gz YNOHPKMHRJQLOP-JYJNAYRXSA-N 0 1 318.323 3.927 20 5 DHBDMN Cc1ccc2ncc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000157461758 341638715 /nfs/dbraw/zinc/63/87/15/341638715.db2.gz ZONNDZQBHUFDBZ-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN CC1(C)Cc2occc2[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000089512487 517513067 /nfs/dbraw/zinc/51/30/67/517513067.db2.gz LWWMQMIIQMDCNR-AWEZNQCLSA-N 0 1 300.358 3.991 20 5 DHBDMN C[C@@H](C1CC1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158023438 524320379 /nfs/dbraw/zinc/32/03/79/524320379.db2.gz CWGFRQJVROWAKN-NSHDSACASA-N 0 1 317.414 3.949 20 5 DHBDMN C[C@H](NCc1cnc2ccccc2c1)c1cccc([N+](=O)[O-])c1 ZINC000337187783 525476575 /nfs/dbraw/zinc/47/65/75/525476575.db2.gz QJTXXGLJTVSNMG-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000266215412 526010944 /nfs/dbraw/zinc/01/09/44/526010944.db2.gz BZFGJOHHYXUWNW-SECBINFHSA-N 0 1 306.391 3.864 20 5 DHBDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000130614148 526514454 /nfs/dbraw/zinc/51/44/54/526514454.db2.gz DIEJASUTKFAMPC-INIZCTEOSA-N 0 1 314.389 3.580 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000339166740 527371608 /nfs/dbraw/zinc/37/16/08/527371608.db2.gz FHQOTCRKMKZPDL-UHFFFAOYSA-N 0 1 310.353 3.590 20 5 DHBDMN CC(C)(CO)[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000289464740 535172182 /nfs/dbraw/zinc/17/21/82/535172182.db2.gz YNQCYSGZOPROHB-HNNXBMFYSA-N 0 1 320.414 3.506 20 5 DHBDMN COCC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133421 536809268 /nfs/dbraw/zinc/80/92/68/536809268.db2.gz XFASPAFUEBHKTD-CZUORRHYSA-N 0 1 318.373 3.925 20 5 DHBDMN CC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083198531 1013992881 /nfs/dbraw/zinc/99/28/81/1013992881.db2.gz CPHOHQJSXOUOGW-GFCCVEGCSA-N 0 1 303.362 3.748 20 5 DHBDMN Cc1cccc(CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000580068745 1014012648 /nfs/dbraw/zinc/01/26/48/1014012648.db2.gz TWPLZWWJXPGMCI-UHFFFAOYSA-N 0 1 311.385 3.505 20 5 DHBDMN Cc1cc(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000613878915 1023987055 /nfs/dbraw/zinc/98/70/55/1023987055.db2.gz LYWAVZQPYVOTOW-UHFFFAOYSA-N 0 1 301.133 3.545 20 5 DHBDMN CC(C)c1ncc(CN(C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000348667448 1014885987 /nfs/dbraw/zinc/88/59/87/1014885987.db2.gz CUMYAKBVUCLROR-UHFFFAOYSA-N 0 1 319.430 3.849 20 5 DHBDMN CC[C@H](NCc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185566142 1015592837 /nfs/dbraw/zinc/59/28/37/1015592837.db2.gz AAEMPXZNSSCBPT-INIZCTEOSA-N 0 1 304.321 3.680 20 5 DHBDMN Cc1[nH]ncc1CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000341780941 1015732700 /nfs/dbraw/zinc/73/27/00/1015732700.db2.gz PXYMWHCMHHZATO-UHFFFAOYSA-N 0 1 301.133 3.545 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)C1CCCCC1)C1CC1 ZINC000474969258 1015734600 /nfs/dbraw/zinc/73/46/00/1015734600.db2.gz BKHWICXEQBRWEC-GOSISDBHSA-N 0 1 318.417 3.500 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2c1cccc2C ZINC000610810539 1015849004 /nfs/dbraw/zinc/84/90/04/1015849004.db2.gz IERSWVBPOZKOBO-QGZVFWFLSA-N 0 1 312.369 3.689 20 5 DHBDMN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538126635 1015884554 /nfs/dbraw/zinc/88/45/54/1015884554.db2.gz NJAZWWRTBSTWMY-NSHDSACASA-N 0 1 322.311 3.603 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277131980 1015901569 /nfs/dbraw/zinc/90/15/69/1015901569.db2.gz CUAAUKKFAWQQEB-DTWKUNHWSA-N 0 1 307.329 3.539 20 5 DHBDMN C[C@H](c1ccccc1F)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065535208 1016214869 /nfs/dbraw/zinc/21/48/69/1016214869.db2.gz UGIXQMRNGHUCIE-CYBMUJFWSA-N 0 1 318.348 3.806 20 5 DHBDMN CCCCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@H](C)CCC ZINC000444057582 1016593301 /nfs/dbraw/zinc/59/33/01/1016593301.db2.gz UXFVYEVJDHXTLF-GFCCVEGCSA-N 0 1 324.425 3.701 20 5 DHBDMN COc1cc(CN2CC[C@]3(CC[C@@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190310 1032267708 /nfs/dbraw/zinc/26/77/08/1032267708.db2.gz LPHUUJBJZBXHEI-PXAZEXFGSA-N 0 1 322.380 3.755 20 5 DHBDMN CN(CCOc1ccccc1Cl)Cc1cccc([N+](=O)[O-])c1 ZINC000610226040 1012495196 /nfs/dbraw/zinc/49/51/96/1012495196.db2.gz PSKMVIYERDIQQE-UHFFFAOYSA-N 0 1 320.776 3.759 20 5 DHBDMN C[C@@H]1[C@H](C(F)(F)F)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475283515 1017114642 /nfs/dbraw/zinc/11/46/42/1017114642.db2.gz IMBLXHJDVCOFMQ-DMBZQDCGSA-N 0 1 314.307 3.881 20 5 DHBDMN O=[N+]([O-])c1cccc(CSc2nc(-c3ccccc3)n[nH]2)c1 ZINC000021108634 1017613555 /nfs/dbraw/zinc/61/35/55/1017613555.db2.gz BXHUWGAYSAEDBI-UHFFFAOYSA-N 0 1 312.354 3.672 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc3cccnc31)CC2 ZINC000088605336 1017779811 /nfs/dbraw/zinc/77/98/11/1017779811.db2.gz AQFQMHFTOQVSPZ-UHFFFAOYSA-N 0 1 319.364 3.701 20 5 DHBDMN CN(CCc1ccccc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000523839912 1017809622 /nfs/dbraw/zinc/80/96/22/1017809622.db2.gz DANROFBTFLZPOT-UHFFFAOYSA-N 0 1 304.777 3.923 20 5 DHBDMN CCC[C@H](N[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268880119 1017817011 /nfs/dbraw/zinc/81/70/11/1017817011.db2.gz HTQDGYHXDIJKTD-ZWKOTPCHSA-N 0 1 314.385 3.759 20 5 DHBDMN CS[C@@H]1CCCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000708322059 1018842687 /nfs/dbraw/zinc/84/26/87/1018842687.db2.gz XNHXNVGQITWYGY-GFCCVEGCSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC001116792089 1018866138 /nfs/dbraw/zinc/86/61/38/1018866138.db2.gz GUFVWDHDVXZZJS-UHFFFAOYSA-N 0 1 302.378 3.560 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)CO2 ZINC000090452302 1019389419 /nfs/dbraw/zinc/38/94/19/1019389419.db2.gz WTWCEWAFJNUOFI-BBRMVZONSA-N 0 1 312.369 3.996 20 5 DHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@H]2C2CC2)c1 ZINC000611268526 1019428740 /nfs/dbraw/zinc/42/87/40/1019428740.db2.gz CRUHQIBYAUXOPQ-ZDUSSCGKSA-N 0 1 312.316 3.571 20 5 DHBDMN C[C@H]1CC[C@@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555203 1019517284 /nfs/dbraw/zinc/51/72/84/1019517284.db2.gz RHLRQKLAKOXVGL-CMPLNLGQSA-N 0 1 302.296 3.758 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccn2)C2CC2)ccc1Cl ZINC000922585138 1020144575 /nfs/dbraw/zinc/14/45/75/1020144575.db2.gz IQHLONPUGFBWPU-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN CN(Cc1ccc(Cl)s1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338883661 1020298622 /nfs/dbraw/zinc/29/86/22/1020298622.db2.gz KSARCSIGWAAOFL-UHFFFAOYSA-N 0 1 312.778 3.647 20 5 DHBDMN Cc1nn(CN2CCC[C@@H](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738237707 1020868322 /nfs/dbraw/zinc/86/83/22/1020868322.db2.gz BHJKLNWYGXAVHP-CQSZACIVSA-N 0 1 308.426 3.514 20 5 DHBDMN CCC[C@@H](NCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000174024135 1020952017 /nfs/dbraw/zinc/95/20/17/1020952017.db2.gz ILZAZTBQXCEBNT-QGZVFWFLSA-N 0 1 316.405 3.576 20 5 DHBDMN CCC[C@]1(C)CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743404197 1021283003 /nfs/dbraw/zinc/28/30/03/1021283003.db2.gz MLSNGQQZZCSZPM-QGZVFWFLSA-N 0 1 316.405 3.804 20 5 DHBDMN CSCC[C@H](C)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174868503 1021626033 /nfs/dbraw/zinc/62/60/33/1021626033.db2.gz LLBJAWHLRZSHEX-JTQLQIEISA-N 0 1 302.827 3.822 20 5 DHBDMN CCN(Cc1ccc(C)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000746029416 1021830177 /nfs/dbraw/zinc/83/01/77/1021830177.db2.gz RQMHTDSAPKHQJI-UHFFFAOYSA-N 0 1 324.384 3.733 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CNCc1ccc2c(c1)COC2 ZINC000893146422 1022012869 /nfs/dbraw/zinc/01/28/69/1022012869.db2.gz KJZRGOYHHVAFBU-UHFFFAOYSA-N 0 1 318.760 3.568 20 5 DHBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290484686 1022052114 /nfs/dbraw/zinc/05/21/14/1022052114.db2.gz OFOQPIUZDNWMPM-OAHLLOKOSA-N 0 1 314.389 3.580 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](c2ccco2)C1 ZINC000609705136 1022336101 /nfs/dbraw/zinc/33/61/01/1022336101.db2.gz SZUQTMUUNFZTJQ-GFCCVEGCSA-N 0 1 306.749 3.831 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000278826263 1022387911 /nfs/dbraw/zinc/38/79/11/1022387911.db2.gz QBENAVOSWZJHQO-MNOVXSKESA-N 0 1 302.296 3.930 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000278826271 1022388996 /nfs/dbraw/zinc/38/89/96/1022388996.db2.gz QBENAVOSWZJHQO-WDEREUQCSA-N 0 1 302.296 3.930 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc3c(c2)COC3)C2CC2)c1 ZINC000768333601 1022948109 /nfs/dbraw/zinc/94/81/09/1022948109.db2.gz GUHFZIMWLWZPTB-UHFFFAOYSA-N 0 1 324.380 3.790 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]1Cc1ccccc1 ZINC000538722834 1033145939 /nfs/dbraw/zinc/14/59/39/1033145939.db2.gz UBFFJJVNUYELNL-WGLAMXGCSA-N 0 1 308.381 3.925 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccccc1)CC(F)F ZINC000093735704 1023844749 /nfs/dbraw/zinc/84/47/49/1023844749.db2.gz KTISNTSUZSOOLR-UHFFFAOYSA-N 0 1 322.311 3.568 20 5 DHBDMN COc1cc(CN[C@@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000452088397 1023972049 /nfs/dbraw/zinc/97/20/49/1023972049.db2.gz OUWLCEULPXBAIA-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CC[C@@H](N[C@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738046 1024289682 /nfs/dbraw/zinc/28/96/82/1024289682.db2.gz GJMIZFGBIWKCQJ-QZTJIDSGSA-N 0 1 314.385 3.678 20 5 DHBDMN CCC[C@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270651429 1024414879 /nfs/dbraw/zinc/41/48/79/1024414879.db2.gz UDKLJVIHNZMUQH-LBPRGKRZSA-N 0 1 303.362 3.870 20 5 DHBDMN Cc1ccc(CN[C@@H]2c3ccccc3NC2(C)C)cc1[N+](=O)[O-] ZINC000883464634 1024441186 /nfs/dbraw/zinc/44/11/86/1024441186.db2.gz SDAAENBVAQIGHT-QGZVFWFLSA-N 0 1 311.385 3.938 20 5 DHBDMN COc1cc2c(cc1F)CC[C@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000337873031 1033212611 /nfs/dbraw/zinc/21/26/11/1033212611.db2.gz SIRMBHAKRFKIIW-MRXNPFEDSA-N 0 1 316.332 3.520 20 5 DHBDMN CCC[C@@H](N[C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495781 1024522691 /nfs/dbraw/zinc/52/26/91/1024522691.db2.gz LGHFNZRYCOMOBU-CVEARBPZSA-N 0 1 314.389 3.826 20 5 DHBDMN Cc1noc(C)c1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975184 1024654532 /nfs/dbraw/zinc/65/45/32/1024654532.db2.gz CNDJTRUEOMZLSV-MRXNPFEDSA-N 0 1 315.373 3.712 20 5 DHBDMN Cc1ncc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279042318 1024694624 /nfs/dbraw/zinc/69/46/24/1024694624.db2.gz JMQOSGVAVYILFD-OAHLLOKOSA-N 0 1 317.414 3.872 20 5 DHBDMN CCC[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878048 1024822027 /nfs/dbraw/zinc/82/20/27/1024822027.db2.gz RPQHLSMDEBIXSY-ZDUSSCGKSA-N 0 1 307.350 3.658 20 5 DHBDMN CSCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000134849662 1025136331 /nfs/dbraw/zinc/13/63/31/1025136331.db2.gz AHWWEDNKQFXVHC-SNVBAGLBSA-N 0 1 302.827 3.822 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3cc[nH]c3n1)CCC2 ZINC000353638889 1025170859 /nfs/dbraw/zinc/17/08/59/1025170859.db2.gz BVJUPUAIIKCXDW-KRWDZBQOSA-N 0 1 322.368 3.638 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000539093258 1033271686 /nfs/dbraw/zinc/27/16/86/1033271686.db2.gz KDVAYPGAMCGKIH-LLVKDONJSA-N 0 1 302.399 3.996 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2ccc(F)cc21 ZINC000279880917 1025303079 /nfs/dbraw/zinc/30/30/79/1025303079.db2.gz UPVWRWKJMNIJKT-INIZCTEOSA-N 0 1 300.333 3.901 20 5 DHBDMN C[C@@H](CNCc1nc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000897463075 1025366284 /nfs/dbraw/zinc/36/62/84/1025366284.db2.gz ASPRVHHWMLQNCO-VIFPVBQESA-N 0 1 311.794 3.598 20 5 DHBDMN CCCC[C@@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572685002 1025463267 /nfs/dbraw/zinc/46/32/67/1025463267.db2.gz AVYDKOVDDJFERG-GFCCVEGCSA-N 0 1 318.377 3.655 20 5 DHBDMN CCCC[C@@H](C)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572685002 1025463271 /nfs/dbraw/zinc/46/32/71/1025463271.db2.gz AVYDKOVDDJFERG-GFCCVEGCSA-N 0 1 318.377 3.655 20 5 DHBDMN CCOc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000126106528 1025466931 /nfs/dbraw/zinc/46/69/31/1025466931.db2.gz KGECFNQGRQODKI-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1c(C(=O)Nc2cc(Cl)c(O)cc2F)cccc1[N+](=O)[O-] ZINC000805257200 1025569098 /nfs/dbraw/zinc/56/90/98/1025569098.db2.gz TZPKPVAMGSHPLH-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN COCC[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000355772883 1025836602 /nfs/dbraw/zinc/83/66/02/1025836602.db2.gz ZXDAPYMMIXLJBK-IJVDHGTGSA-N 0 1 316.357 3.568 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCOCC2(CCCC2)C1 ZINC000614222854 1025954399 /nfs/dbraw/zinc/95/43/99/1025954399.db2.gz KHIDMGCJGYIFTG-CQSZACIVSA-N 0 1 304.390 3.548 20 5 DHBDMN CC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000886920602 1025981609 /nfs/dbraw/zinc/98/16/09/1025981609.db2.gz COYVUONEDKEPGZ-QGZVFWFLSA-N 0 1 324.384 3.722 20 5 DHBDMN COc1cc(F)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090972131 1026094590 /nfs/dbraw/zinc/09/45/90/1026094590.db2.gz MGAOSVRNMYGJDJ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN COc1cc(F)cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000093899700 1026132887 /nfs/dbraw/zinc/13/28/87/1026132887.db2.gz QXCUEFPRCDZZFG-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN COc1cc(F)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000093899701 1026134429 /nfs/dbraw/zinc/13/44/29/1026134429.db2.gz QXCUEFPRCDZZFG-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN O=C(O[C@@H](c1ccccc1)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269394837 1027312090 /nfs/dbraw/zinc/31/20/90/1027312090.db2.gz UPNQKOKNRYRPJI-OAGGEKHMSA-N 0 1 303.358 3.516 20 5 DHBDMN CSC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000362947643 1027458027 /nfs/dbraw/zinc/45/80/27/1027458027.db2.gz BQHCRGIFLASDKK-HNNXBMFYSA-N 0 1 324.446 3.709 20 5 DHBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H]1CCC1CCCCC1 ZINC000362951512 1027461779 /nfs/dbraw/zinc/46/17/79/1027461779.db2.gz MUDVAZBFLGKZCB-OAHLLOKOSA-N 0 1 320.437 3.653 20 5 DHBDMN CCn1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076708 1027534186 /nfs/dbraw/zinc/53/41/86/1027534186.db2.gz XAFZZWRJBJSLJI-CHWSQXEVSA-N 0 1 302.378 3.531 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000932569060 1027545561 /nfs/dbraw/zinc/54/55/61/1027545561.db2.gz QIRGQLGQYUYNOQ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](C(F)(F)F)C1 ZINC000778949884 1027635216 /nfs/dbraw/zinc/63/52/16/1027635216.db2.gz DFQFQJNWURGQOX-MNOVXSKESA-N 0 1 302.296 3.848 20 5 DHBDMN Cc1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000577475085 1027779553 /nfs/dbraw/zinc/77/95/53/1027779553.db2.gz TUPIQPDPHIOAOF-GOSISDBHSA-N 0 1 311.385 3.856 20 5 DHBDMN Cc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc(Cl)n1 ZINC000814178449 1027914767 /nfs/dbraw/zinc/91/47/67/1027914767.db2.gz QBAMHEGWRIQVHL-UHFFFAOYSA-N 0 1 319.792 3.977 20 5 DHBDMN COc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272511 1028052500 /nfs/dbraw/zinc/05/25/00/1028052500.db2.gz GGQNFXYTGGXPMG-SJCJKPOMSA-N 0 1 312.369 3.942 20 5 DHBDMN CC1(C)[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451477127 1029879564 /nfs/dbraw/zinc/87/95/64/1029879564.db2.gz HEWATUIZSRSGED-KMUNFCNLSA-N 0 1 324.808 3.541 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC3(CCC3)[C@@H]2c2ccco2)cc1 ZINC000451835692 1030025396 /nfs/dbraw/zinc/02/53/96/1030025396.db2.gz KGIWWXZBJPJSMJ-KRWDZBQOSA-N 0 1 312.369 3.958 20 5 DHBDMN Cc1ccc(CNCc2scnc2C2CC2)cc1[N+](=O)[O-] ZINC000865787258 1030025341 /nfs/dbraw/zinc/02/53/41/1030025341.db2.gz JMTLIWCACAVPNM-UHFFFAOYSA-N 0 1 303.387 3.527 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1cccc(C)c1 ZINC000452097604 1030120232 /nfs/dbraw/zinc/12/02/32/1030120232.db2.gz YPJPCASYYLYFLP-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@H](N[C@@H](C)C1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691885 1030455285 /nfs/dbraw/zinc/45/52/85/1030455285.db2.gz KPDFMQQFQOCDRZ-UWVGGRQHSA-N 0 1 313.195 3.561 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc2c1OCO2 ZINC000926492801 1030764537 /nfs/dbraw/zinc/76/45/37/1030764537.db2.gz GEJBGLPZPOZUNK-NWDGAFQWSA-N 0 1 314.341 3.735 20 5 DHBDMN CCOc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873184435 1031746243 /nfs/dbraw/zinc/74/62/43/1031746243.db2.gz PZZDPDMDPXQSES-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN CCC1CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777953473 1032023704 /nfs/dbraw/zinc/02/37/04/1032023704.db2.gz GLYBKDUCOGQCFX-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N[C@@H]1CCCC1(F)F)CC2 ZINC001172911551 1033486158 /nfs/dbraw/zinc/48/61/58/1033486158.db2.gz JKKDTKYMYJILBX-UKRRQHHQSA-N 0 1 310.344 3.620 20 5 DHBDMN CCc1ccc(C(=O)Nc2nc3ccc(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000553508926 1033720372 /nfs/dbraw/zinc/72/03/72/1033720372.db2.gz XOTNOKNWSSDAPZ-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000879998807 1034173977 /nfs/dbraw/zinc/17/39/77/1034173977.db2.gz ASFFLFUNFADKJX-GWCFXTLKSA-N 0 1 302.296 3.930 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNc1ccc2cnccc2c1 ZINC000864030969 1034268009 /nfs/dbraw/zinc/26/80/09/1034268009.db2.gz RWVQPCFBBAPAET-UHFFFAOYSA-N 0 1 309.325 3.764 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@@H](c2nccs2)C1 ZINC000880318465 1034294472 /nfs/dbraw/zinc/29/44/72/1034294472.db2.gz ZLAMFFQTHGRZOV-SNVBAGLBSA-N 0 1 323.805 3.694 20 5 DHBDMN Nc1ccc2cc3ccc(Nc4ccncc4F)cc3nc2c1 ZINC001175200542 1034846773 /nfs/dbraw/zinc/84/67/73/1034846773.db2.gz HJFHFKDNQLGUJR-UHFFFAOYSA-N 0 1 304.328 3.670 20 5 DHBDMN Cc1cccc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000159853909 1035097155 /nfs/dbraw/zinc/09/71/55/1035097155.db2.gz OPYQIFAEESEBQP-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN c1cnc2c(c1)cc(Nc1ccc3nn[nH]c3c1)c1cccnc12 ZINC001176005064 1035182277 /nfs/dbraw/zinc/18/22/77/1035182277.db2.gz SRRAVOVEEXDMAW-UHFFFAOYSA-N 0 1 312.336 3.798 20 5 DHBDMN c1cnc2c(c1)cc(Nc1ccc3n[nH]nc3c1)c1cccnc12 ZINC001176005064 1035182283 /nfs/dbraw/zinc/18/22/83/1035182283.db2.gz SRRAVOVEEXDMAW-UHFFFAOYSA-N 0 1 312.336 3.798 20 5 DHBDMN CCC(CC)N(CCOC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000042616370 1035228777 /nfs/dbraw/zinc/22/87/77/1035228777.db2.gz CVVJVKUVCYBDRU-UHFFFAOYSA-N 0 1 314.813 3.885 20 5 DHBDMN Cc1nc2c(o1)CCC[C@H]2NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903246421 1035295812 /nfs/dbraw/zinc/29/58/12/1035295812.db2.gz VDTGQFSIOQTMJV-SMDDNHRTSA-N 0 1 315.373 3.662 20 5 DHBDMN Cc1cc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccn1 ZINC001178765885 1035446406 /nfs/dbraw/zinc/44/64/06/1035446406.db2.gz IVLVIEQUIPKKPZ-UHFFFAOYSA-N 0 1 323.352 3.848 20 5 DHBDMN CCO[C@@]1(C)C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001179193956 1035470577 /nfs/dbraw/zinc/47/05/77/1035470577.db2.gz OFALWSPVNMMMFV-SJORKVTESA-N 0 1 316.357 3.512 20 5 DHBDMN CCC1(CC)CCN(Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC001180976315 1035799207 /nfs/dbraw/zinc/79/92/07/1035799207.db2.gz BHLSZHLCGABVPN-UHFFFAOYSA-N 0 1 322.405 3.711 20 5 DHBDMN CCCCC[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803256 1036422774 /nfs/dbraw/zinc/42/27/74/1036422774.db2.gz WDPXBDMWNRORGJ-AWEZNQCLSA-N 0 1 319.405 3.578 20 5 DHBDMN CCCCC[C@H]1CCCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000486803256 1036422787 /nfs/dbraw/zinc/42/27/87/1036422787.db2.gz WDPXBDMWNRORGJ-AWEZNQCLSA-N 0 1 319.405 3.578 20 5 DHBDMN CC(C)[C@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639747 1036605708 /nfs/dbraw/zinc/60/57/08/1036605708.db2.gz XYWXLUFFPIVTMP-NSHDSACASA-N 0 1 322.796 3.533 20 5 DHBDMN Cc1cccc(OCCN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000487681298 1036707956 /nfs/dbraw/zinc/70/79/56/1036707956.db2.gz YMGABLXDHFRZMZ-HNNXBMFYSA-N 0 1 314.385 3.975 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCc2ccsc2C1 ZINC001184135909 1036746699 /nfs/dbraw/zinc/74/66/99/1036746699.db2.gz XGKPWHKAMIPWKG-UHFFFAOYSA-N 0 1 302.399 3.831 20 5 DHBDMN CCOc1cc(CN(C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000492419455 1036863622 /nfs/dbraw/zinc/86/36/22/1036863622.db2.gz VNCRJFJAVSVCQN-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN Cc1c(COC(=O)c2ccc(O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000762829865 1036959718 /nfs/dbraw/zinc/95/97/18/1036959718.db2.gz KKZYLNKYQLTQMT-UHFFFAOYSA-N 0 1 321.716 3.619 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000774905737 1037198697 /nfs/dbraw/zinc/19/86/97/1037198697.db2.gz RFZYCSWDFPZYCI-UHFFFAOYSA-N 0 1 321.377 3.904 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000589521537 1038500387 /nfs/dbraw/zinc/50/03/87/1038500387.db2.gz FKXZXJHDGVBWRJ-CRAIPNDOSA-N 0 1 324.380 3.593 20 5 DHBDMN CC1(C)CCC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001191683628 1038533272 /nfs/dbraw/zinc/53/32/72/1038533272.db2.gz ZOBQQJQSWKGOKX-QGZVFWFLSA-N 0 1 318.417 3.907 20 5 DHBDMN CC1(C)CCC[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001191683628 1038533278 /nfs/dbraw/zinc/53/32/78/1038533278.db2.gz ZOBQQJQSWKGOKX-QGZVFWFLSA-N 0 1 318.417 3.907 20 5 DHBDMN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000573985076 1039193446 /nfs/dbraw/zinc/19/34/46/1039193446.db2.gz MPOFCJAKOXCHFV-ZJUUUORDSA-N 0 1 302.296 3.844 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](OC2CCC2)C1 ZINC000594612901 1039875658 /nfs/dbraw/zinc/87/56/58/1039875658.db2.gz OUBJFSDCZQVKRV-IMXKFXGHSA-N 0 1 316.401 3.642 20 5 DHBDMN Cc1ccnc(NCc2ccc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000594741729 1039906987 /nfs/dbraw/zinc/90/69/87/1039906987.db2.gz COPRPGTUNVSPMP-UHFFFAOYSA-N 0 1 301.321 3.927 20 5 DHBDMN CC1(C)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000574885319 1040056929 /nfs/dbraw/zinc/05/69/29/1040056929.db2.gz ONUDNKZSOCGQEL-UHFFFAOYSA-N 0 1 302.296 3.988 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1)[C@@H](C)O ZINC000595104717 1040066010 /nfs/dbraw/zinc/06/60/10/1040066010.db2.gz SJCCDVDWJGEIBG-IYOUNJFTSA-N 0 1 314.385 3.676 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CNC1(c2ccccc2)CCC1 ZINC000595354350 1040123677 /nfs/dbraw/zinc/12/36/77/1040123677.db2.gz SUNVCEOFSALTNV-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN CC(C)N(CCc1nccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595390562 1040130911 /nfs/dbraw/zinc/13/09/11/1040130911.db2.gz YPTOMNUSQONXAT-UHFFFAOYSA-N 0 1 323.393 3.644 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595785287 1040256112 /nfs/dbraw/zinc/25/61/12/1040256112.db2.gz DACGJCBYMJMLSA-PBHICJAKSA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ccon2)CC1 ZINC000595829430 1040266108 /nfs/dbraw/zinc/26/61/08/1040266108.db2.gz UKOYWYISAXNZQE-ZDUSSCGKSA-N 0 1 315.373 3.832 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSCc1noc2c1CCCC2 ZINC000593188817 1040481970 /nfs/dbraw/zinc/48/19/70/1040481970.db2.gz QRKYBOSXDOMUSP-UHFFFAOYSA-N 0 1 320.370 3.601 20 5 DHBDMN CC[C@@H](C)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602438582 1041032954 /nfs/dbraw/zinc/03/29/54/1041032954.db2.gz FXAAJCJGGRIJPH-SSDOTTSWSA-N 0 1 307.213 3.649 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CNC3CC(c4ccccc4)C3)nc2c1 ZINC000602560065 1041095164 /nfs/dbraw/zinc/09/51/64/1041095164.db2.gz BAGVEEKNFQOIRX-UHFFFAOYSA-N 0 1 323.352 3.772 20 5 DHBDMN COc1ccccc1C(C)(C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000103172016 185436717 /nfs/dbraw/zinc/43/67/17/185436717.db2.gz MKCQTYNSIIMGLW-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN COc1cccc(C2(N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000272176901 130005498 /nfs/dbraw/zinc/00/54/98/130005498.db2.gz FBMUAMKNHXNAJJ-ZDUSSCGKSA-N 0 1 312.369 3.943 20 5 DHBDMN COCC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587341 130043042 /nfs/dbraw/zinc/04/30/42/130043042.db2.gz RLGYVGVPHWYCPT-ZFWWWQNUSA-N 0 1 318.373 3.925 20 5 DHBDMN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000272600605 130045760 /nfs/dbraw/zinc/04/57/60/130045760.db2.gz IXXARQUYVAMCDR-SECBINFHSA-N 0 1 311.794 3.598 20 5 DHBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])Cc1c(F)cccc1Cl ZINC000340292243 131334890 /nfs/dbraw/zinc/33/48/90/131334890.db2.gz SULCVPGINGPNED-UHFFFAOYSA-N 0 1 324.739 3.725 20 5 DHBDMN Cc1c(CN2CCC=C(c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000289392000 131381526 /nfs/dbraw/zinc/38/15/26/131381526.db2.gz RBLXHRYBDFCFQK-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN CC[C@@H](C)n1nc(Nc2ncc(Cl)cc2[N+](=O)[O-])cc1C ZINC000539396591 435549898 /nfs/dbraw/zinc/54/98/98/435549898.db2.gz IAMVCWCZVDPMJX-MRVPVSSYSA-N 0 1 309.757 3.863 20 5 DHBDMN CCC[C@@H](NCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000174025842 332843641 /nfs/dbraw/zinc/84/36/41/332843641.db2.gz NQOATPFZIPBDPS-MRXNPFEDSA-N 0 1 303.362 3.831 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(CC(F)(F)F)CC2)cc1 ZINC000556505302 331709142 /nfs/dbraw/zinc/70/91/42/331709142.db2.gz HPOGEMNXXZJSLO-UHFFFAOYSA-N 0 1 302.296 3.759 20 5 DHBDMN C[C@@H](c1ccccc1F)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000520059596 332052919 /nfs/dbraw/zinc/05/29/19/332052919.db2.gz UGIXQMRNGHUCIE-ZDUSSCGKSA-N 0 1 318.348 3.806 20 5 DHBDMN COc1ccc(C)cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000378889943 333060518 /nfs/dbraw/zinc/06/05/18/333060518.db2.gz KPVIRZRNJMZVRK-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1ccc(CNC2(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] ZINC000531206175 333330530 /nfs/dbraw/zinc/33/05/30/333330530.db2.gz LDHPVNGBQQKKJF-UHFFFAOYSA-N 0 1 316.332 3.521 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000521425843 333380853 /nfs/dbraw/zinc/38/08/53/333380853.db2.gz NMBUCXKUCJEPDT-SFHVURJKSA-N 0 1 314.360 3.941 20 5 DHBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccs1 ZINC000049530721 334345661 /nfs/dbraw/zinc/34/56/61/334345661.db2.gz VVCJMMVKCMRDTB-ZDUSSCGKSA-N 0 1 306.387 3.906 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1NC[C@H](c1ccco1)N1CCCC1 ZINC000341354611 334440297 /nfs/dbraw/zinc/44/02/97/334440297.db2.gz QBRMTUCWURECAU-CQSZACIVSA-N 0 1 319.336 3.576 20 5 DHBDMN CC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000344462999 335250745 /nfs/dbraw/zinc/25/07/45/335250745.db2.gz POHWTDRBFJIMEQ-HNNXBMFYSA-N 0 1 322.311 3.820 20 5 DHBDMN Cc1ccc(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000344793095 335277754 /nfs/dbraw/zinc/27/77/54/335277754.db2.gz VHLSTONRDVMRIR-INIZCTEOSA-N 0 1 316.405 3.514 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1nc(C)c(C)s1 ZINC000344982981 335292833 /nfs/dbraw/zinc/29/28/33/335292833.db2.gz PNYWFNDPOSJDKI-XFFZJAGNSA-N 0 1 317.414 3.861 20 5 DHBDMN CC[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444680940 338481933 /nfs/dbraw/zinc/48/19/33/338481933.db2.gz RVQOUHYCRGZNEL-NSHDSACASA-N 0 1 316.386 3.774 20 5 DHBDMN CCSCC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609238 336226641 /nfs/dbraw/zinc/22/66/41/336226641.db2.gz SALKKCBUKOQYLW-LLVKDONJSA-N 0 1 300.399 3.697 20 5 DHBDMN CCO[C@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609044 336226673 /nfs/dbraw/zinc/22/66/73/336226673.db2.gz QNDMCYUZANMGQY-HOTGVXAUSA-N 0 1 322.380 3.513 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(Br)cc2)cc1 ZINC000037493069 336262997 /nfs/dbraw/zinc/26/29/97/336262997.db2.gz YOLPPKSJKMEBJW-UHFFFAOYSA-N 0 1 321.174 3.647 20 5 DHBDMN C[C@@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756522 336279557 /nfs/dbraw/zinc/27/95/57/336279557.db2.gz NMVGVPINYXDSMP-ZWNOBZJWSA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1ccc([C@@H](CNc2sccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000301999437 336342364 /nfs/dbraw/zinc/34/23/64/336342364.db2.gz RCSFVMIERIMMND-CYBMUJFWSA-N 0 1 321.402 3.807 20 5 DHBDMN CC[C@@H](C)[C@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302186012 336353049 /nfs/dbraw/zinc/35/30/49/336353049.db2.gz PGYFXIPXPOMTCL-PIGZYNQJSA-N 0 1 317.389 3.660 20 5 DHBDMN Cc1cc(N2CCS[C@@H](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302739752 336367276 /nfs/dbraw/zinc/36/72/76/336367276.db2.gz QEBUCEKFTXVNOJ-LBPRGKRZSA-N 0 1 317.414 3.783 20 5 DHBDMN CSCCCN(C)c1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000357689622 336594643 /nfs/dbraw/zinc/59/46/43/336594643.db2.gz XJLQODIJFHLBQP-UHFFFAOYSA-N 0 1 305.403 3.641 20 5 DHBDMN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360687715 336718834 /nfs/dbraw/zinc/71/88/34/336718834.db2.gz GFGPIXVHDSHSRA-DGCLKSJQSA-N 0 1 320.389 3.587 20 5 DHBDMN CC(C)COc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000060526975 337913883 /nfs/dbraw/zinc/91/38/83/337913883.db2.gz GCCRAHHOSSCPIN-UHFFFAOYSA-N 0 1 314.385 3.919 20 5 DHBDMN COc1cc(CN(C)Cc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000428715279 338059215 /nfs/dbraw/zinc/05/92/15/338059215.db2.gz FQIZENIHWWVCNH-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(C(F)(F)F)s2)cc1 ZINC000428867792 338063401 /nfs/dbraw/zinc/06/34/01/338063401.db2.gz PZTYLZWRBWVZAT-UHFFFAOYSA-N 0 1 316.304 3.965 20 5 DHBDMN CSC[C@@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000429293572 338076691 /nfs/dbraw/zinc/07/66/91/338076691.db2.gz LVCWJCSWTFKJGY-LLVKDONJSA-N 0 1 314.838 3.823 20 5 DHBDMN CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430217123 338101744 /nfs/dbraw/zinc/10/17/44/338101744.db2.gz GWQSSGUSRIQLIC-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN CCC(CC)N(CC(C)C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434023772 338207806 /nfs/dbraw/zinc/20/78/06/338207806.db2.gz GFTJLNLCWWPNFD-UHFFFAOYSA-N 0 1 324.425 3.728 20 5 DHBDMN CCCCC[C@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434359104 338215228 /nfs/dbraw/zinc/21/52/28/338215228.db2.gz TZPRTYAAESTTHU-LBPRGKRZSA-N 0 1 322.409 3.626 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccsc2)N(C)C)c1 ZINC000446891145 338539891 /nfs/dbraw/zinc/53/98/91/338539891.db2.gz UQZAVEIJDVACRH-OAHLLOKOSA-N 0 1 305.403 3.680 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cnc(C2CC2)o1 ZINC000449708171 338647569 /nfs/dbraw/zinc/64/75/69/338647569.db2.gz UGZXRHPPSFUZST-GHXNOFRVSA-N 0 1 313.357 3.653 20 5 DHBDMN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301278 338820930 /nfs/dbraw/zinc/82/09/30/338820930.db2.gz XKRXFPRFIAKEOC-SGMGOOAPSA-N 0 1 312.360 3.939 20 5 DHBDMN COc1ccc(-c2ccc(CNC(C)(C)CF)o2)c([N+](=O)[O-])c1 ZINC000472133944 339363954 /nfs/dbraw/zinc/36/39/54/339363954.db2.gz DNTXRQDFQIBZCH-UHFFFAOYSA-N 0 1 322.336 3.701 20 5 DHBDMN Cc1nccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000503569011 340130897 /nfs/dbraw/zinc/13/08/97/340130897.db2.gz MJAAIATVYYSNTG-UHFFFAOYSA-N 0 1 312.156 3.639 20 5 DHBDMN COc1ccccc1CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000505598027 340172368 /nfs/dbraw/zinc/17/23/68/340172368.db2.gz UYGJOPCHLWFLHH-JXMROGBWSA-N 0 1 312.369 3.749 20 5 DHBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000974 340205071 /nfs/dbraw/zinc/20/50/71/340205071.db2.gz GTVOXVNNVQAJCC-YOEHRIQHSA-N 0 1 311.385 3.842 20 5 DHBDMN Cc1ccccc1[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000507162232 340210256 /nfs/dbraw/zinc/21/02/56/340210256.db2.gz CFEGWRZIVDFFIN-CQSZACIVSA-N 0 1 302.399 3.954 20 5 DHBDMN COCCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1 ZINC000508530248 340245860 /nfs/dbraw/zinc/24/58/60/340245860.db2.gz GOQHSVBUYXKIQY-HNNXBMFYSA-N 0 1 314.385 3.804 20 5 DHBDMN CSc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000540136007 340915995 /nfs/dbraw/zinc/91/59/95/340915995.db2.gz IJVFYXFDHJLBMM-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000540191616 340922638 /nfs/dbraw/zinc/92/26/38/340922638.db2.gz RNSLNBJXEHEYGW-APPDUMDISA-N 0 1 300.333 3.757 20 5 DHBDMN COc1ccccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080346947 341273001 /nfs/dbraw/zinc/27/30/01/341273001.db2.gz UDKONKNADOCESD-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN Cc1nc(C)c(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000080347367 341273108 /nfs/dbraw/zinc/27/31/08/341273108.db2.gz IWTNYPYAEKLDIT-UHFFFAOYSA-N 0 1 305.403 3.693 20 5 DHBDMN C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000549859822 341305164 /nfs/dbraw/zinc/30/51/64/341305164.db2.gz BJKLYOQHAMQFQH-AOOOYVTPSA-N 0 1 302.296 3.701 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931256 341327198 /nfs/dbraw/zinc/32/71/98/341327198.db2.gz BZCCMVREZISRGB-SUMWQHHRSA-N 0 1 312.369 3.825 20 5 DHBDMN CCC[C@@H](N[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268995960 341606234 /nfs/dbraw/zinc/60/62/34/341606234.db2.gz HTQDGYHXDIJKTD-MSOLQXFVSA-N 0 1 314.385 3.759 20 5 DHBDMN COc1cc([C@@H](C)NCc2ccccc2[N+](=O)[O-])ccc1F ZINC000092825380 518140744 /nfs/dbraw/zinc/14/07/44/518140744.db2.gz GJQUUGNBTFUNBM-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN CC(C)Cn1ncc(Nc2ncc([N+](=O)[O-])s2)c1C(F)F ZINC000336959292 519537443 /nfs/dbraw/zinc/53/74/43/519537443.db2.gz AZQCATSXXZIQSR-UHFFFAOYSA-N 0 1 317.321 3.585 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCOc2c(F)cccc21 ZINC000191120328 525567057 /nfs/dbraw/zinc/56/70/57/525567057.db2.gz IHDQGPWNIWALII-INIZCTEOSA-N 0 1 316.332 3.656 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cnn1C(C)(C)C ZINC000191351111 525900449 /nfs/dbraw/zinc/90/04/49/525900449.db2.gz VQXXNEBHLFBRCY-GFCCVEGCSA-N 0 1 316.405 3.706 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccncc3)C2)c(Cl)c1 ZINC000519641813 1013586133 /nfs/dbraw/zinc/58/61/33/1013586133.db2.gz GSFIRTKHVPSDEN-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN CCC1(CC)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000594734433 974991737 /nfs/dbraw/zinc/99/17/37/974991737.db2.gz ZQJPCMWZEFOJAY-UHFFFAOYSA-N 0 1 320.389 3.695 20 5 DHBDMN C[C@@H]1CC[C@@H](C)N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000580629843 1014260034 /nfs/dbraw/zinc/26/00/34/1014260034.db2.gz GIHGDOFASLYVNA-NXEZZACHSA-N 0 1 302.296 3.986 20 5 DHBDMN CC(C)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000427919518 1014552822 /nfs/dbraw/zinc/55/28/22/1014552822.db2.gz XYVLBVQMLSVSIX-UHFFFAOYSA-N 0 1 300.314 3.676 20 5 DHBDMN CC(C)(NCc1ccc([N+](=O)[O-])c(F)c1)c1cccc(F)c1 ZINC000276270405 1014912659 /nfs/dbraw/zinc/91/26/59/1014912659.db2.gz CQWZALIPDYAIPG-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN Cc1c(CNCc2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000053156176 1014914560 /nfs/dbraw/zinc/91/45/60/1014914560.db2.gz CJIPOSKOPDEBFS-UHFFFAOYSA-N 0 1 308.740 3.986 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(OC3CCCC3)CC2)cc1 ZINC000121111818 1014976705 /nfs/dbraw/zinc/97/67/05/1014976705.db2.gz ZYOBNYIARBLWQC-UHFFFAOYSA-N 0 1 304.390 3.518 20 5 DHBDMN Cc1cc(NCc2n[nH]c(C(C)(C)C)n2)c(Cl)cc1[N+](=O)[O-] ZINC000840336161 1015365548 /nfs/dbraw/zinc/36/55/48/1015365548.db2.gz WGJFDQOSNUFEOC-UHFFFAOYSA-N 0 1 323.784 3.584 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]4CCC[C@H]43)nc2c1 ZINC000610582575 1015632558 /nfs/dbraw/zinc/63/25/58/1015632558.db2.gz AQNUDDXRQQGNAJ-BXUZGUMPSA-N 0 1 301.346 3.501 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000277335878 1016220228 /nfs/dbraw/zinc/22/02/28/1016220228.db2.gz UTEJAFNKVODVBG-SRVKXCTJSA-N 0 1 317.393 3.638 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277382115 1016259801 /nfs/dbraw/zinc/25/98/01/1016259801.db2.gz ISHISURICVQFQN-DTWKUNHWSA-N 0 1 307.329 3.539 20 5 DHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000089513280 1032154693 /nfs/dbraw/zinc/15/46/93/1032154693.db2.gz YIHFDZFQOGTUBK-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN Cc1c([C@H](C)Nc2cnn(-c3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000611480883 1017216014 /nfs/dbraw/zinc/21/60/14/1017216014.db2.gz NPRXAQPJHNKVHL-ZDUSSCGKSA-N 0 1 323.356 3.657 20 5 DHBDMN CCC(C)(C)[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444657204 1017610723 /nfs/dbraw/zinc/61/07/23/1017610723.db2.gz BOTHTCMKHXKLKU-OAHLLOKOSA-N 0 1 316.405 3.872 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2sccc21 ZINC000268861394 1017796881 /nfs/dbraw/zinc/79/68/81/1017796881.db2.gz JOLPEQZWVALQGX-AWEZNQCLSA-N 0 1 318.398 3.832 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@@H](CCF)C2)c1 ZINC000701926038 1018122807 /nfs/dbraw/zinc/12/28/07/1018122807.db2.gz XUUUSXGFICOEKS-NSHDSACASA-N 0 1 300.761 3.820 20 5 DHBDMN CS[C@@H]1CCCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000441121478 1018263089 /nfs/dbraw/zinc/26/30/89/1018263089.db2.gz YCRCPMHOQOUMJI-CYBMUJFWSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447056253 1018320143 /nfs/dbraw/zinc/32/01/43/1018320143.db2.gz LCGPMQWFSPEOJM-UHFFFAOYSA-N 0 1 316.405 3.556 20 5 DHBDMN CC1(C)CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000153854908 1018870970 /nfs/dbraw/zinc/87/09/70/1018870970.db2.gz YQZRFIJUZYIDRO-UHFFFAOYSA-N 0 1 315.373 3.872 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000921819337 1018901414 /nfs/dbraw/zinc/90/14/14/1018901414.db2.gz XUZUDWBQTVLMLV-ZDUSSCGKSA-N 0 1 314.389 3.676 20 5 DHBDMN Cc1ccc(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000130727496 1019066559 /nfs/dbraw/zinc/06/65/59/1019066559.db2.gz HPBQDWRBYKBNNQ-UHFFFAOYSA-N 0 1 316.357 3.540 20 5 DHBDMN CCc1ccc([C@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844003 1019420026 /nfs/dbraw/zinc/42/00/26/1019420026.db2.gz NACFIFMWBLMXIM-ACJLOTCBSA-N 0 1 314.385 3.541 20 5 DHBDMN CCc1ccc([C@H](CO)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844557 1019420197 /nfs/dbraw/zinc/42/01/97/1019420197.db2.gz UPMMGUIGBBEARD-ACJLOTCBSA-N 0 1 314.385 3.541 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000611268137 1019428649 /nfs/dbraw/zinc/42/86/49/1019428649.db2.gz SGHREJOYQLMUGZ-UHFFFAOYSA-N 0 1 318.348 3.683 20 5 DHBDMN COc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000132251218 1019486792 /nfs/dbraw/zinc/48/67/92/1019486792.db2.gz NIGBQCPJCHKZEK-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1Cl ZINC000730412421 1019983946 /nfs/dbraw/zinc/98/39/46/1019983946.db2.gz HTHLGXWIZWEWRW-ZETCQYMHSA-N 0 1 312.684 3.633 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000154917229 1020164750 /nfs/dbraw/zinc/16/47/50/1020164750.db2.gz BVTBHBOOQMCQMN-KRWDZBQOSA-N 0 1 311.385 3.671 20 5 DHBDMN C[C@@H](Nc1cccnc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732568993 1020256714 /nfs/dbraw/zinc/25/67/14/1020256714.db2.gz SIZLXOGFAMZEJQ-MRVPVSSYSA-N 0 1 317.736 3.693 20 5 DHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000553495797 1020351062 /nfs/dbraw/zinc/35/10/62/1020351062.db2.gz CAHOEAUVRCZYOY-VIFPVBQESA-N 0 1 324.739 3.944 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282627605 1020371744 /nfs/dbraw/zinc/37/17/44/1020371744.db2.gz ANNJTSALZJRATN-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000123099984 1020510255 /nfs/dbraw/zinc/51/02/55/1020510255.db2.gz PEJYWBCYMGZTIS-OLZOCXBDSA-N 0 1 315.373 3.728 20 5 DHBDMN CCCCCCN(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000735791903 1020768769 /nfs/dbraw/zinc/76/87/69/1020768769.db2.gz ZGFMQYWJQDORND-UHFFFAOYSA-N 0 1 318.377 3.657 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414071155 1020845259 /nfs/dbraw/zinc/84/52/59/1020845259.db2.gz CXPHCHMQHUBWBM-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CCCc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000618618892 1021456174 /nfs/dbraw/zinc/45/61/74/1021456174.db2.gz CPDRELCMCJFAAN-UHFFFAOYSA-N 0 1 324.384 3.713 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@H](O)c3ccccc31)CCC2 ZINC000850527177 1021579093 /nfs/dbraw/zinc/57/90/93/1021579093.db2.gz UTLRVPSRPLNIDE-QRVBRYPASA-N 0 1 324.380 3.740 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](O)c3ccccc31)CCC2 ZINC000850527176 1021580145 /nfs/dbraw/zinc/58/01/45/1021580145.db2.gz UTLRVPSRPLNIDE-GUDVDZBRSA-N 0 1 324.380 3.740 20 5 DHBDMN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1c(F)cccc1F ZINC000538126634 1032994504 /nfs/dbraw/zinc/99/45/04/1032994504.db2.gz NJAZWWRTBSTWMY-LLVKDONJSA-N 0 1 322.311 3.603 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926890871 1021800485 /nfs/dbraw/zinc/80/04/85/1021800485.db2.gz GGBNCSHERADIMD-MNOVXSKESA-N 0 1 304.321 3.851 20 5 DHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC1(Cl)Cl ZINC000920206115 1022077053 /nfs/dbraw/zinc/07/70/53/1022077053.db2.gz BTJVOSBQDKWHEJ-GFCCVEGCSA-N 0 1 317.216 3.999 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1cccc(O)c1 ZINC000183338264 1022103152 /nfs/dbraw/zinc/10/31/52/1022103152.db2.gz JNHBDGLUJFVMBX-CYBMUJFWSA-N 0 1 300.358 3.802 20 5 DHBDMN CCO[C@H]1C[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453598 1022290062 /nfs/dbraw/zinc/29/00/62/1022290062.db2.gz PMQAWMMXZNEKEC-HOTGVXAUSA-N 0 1 322.380 3.513 20 5 DHBDMN Cc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2O)c1[N+](=O)[O-] ZINC000179639396 1022495803 /nfs/dbraw/zinc/49/58/03/1022495803.db2.gz WJEYEIMYRVIETA-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN Cc1ccncc1[C@@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000770751057 1023349005 /nfs/dbraw/zinc/34/90/05/1023349005.db2.gz TXZLPFFZTSMZQC-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN CC1(C)CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CCS1 ZINC000789763445 1024158116 /nfs/dbraw/zinc/15/81/16/1024158116.db2.gz KAGVZNAPTAVULB-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1sccc1C ZINC000268926275 1024196898 /nfs/dbraw/zinc/19/68/98/1024196898.db2.gz RRKUTBTWRLERGI-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1ccc2nc(CNc3ccc(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000342460155 1024421800 /nfs/dbraw/zinc/42/18/00/1024421800.db2.gz RUIIOFNSUDLQMK-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN Cc1c(CN[C@@H]2c3ccccc3NC2(C)C)cccc1[N+](=O)[O-] ZINC000883462902 1024440355 /nfs/dbraw/zinc/44/03/55/1024440355.db2.gz CWMPMVXYMSQXEX-QGZVFWFLSA-N 0 1 311.385 3.938 20 5 DHBDMN C[C@@]1(c2ccccc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000532293404 1024594677 /nfs/dbraw/zinc/59/46/77/1024594677.db2.gz UJARBAZKABICRI-MRXNPFEDSA-N 0 1 302.399 3.820 20 5 DHBDMN CC(C)c1nc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000349219515 1024688842 /nfs/dbraw/zinc/68/88/42/1024688842.db2.gz QWXZYNPDLOQPHL-QMMMGPOBSA-N 0 1 309.757 3.663 20 5 DHBDMN C[C@@H](c1ccccc1F)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000349913511 1024768186 /nfs/dbraw/zinc/76/81/86/1024768186.db2.gz LGRIFNBBYDSBCF-NSHDSACASA-N 0 1 304.321 3.633 20 5 DHBDMN Cc1nc(C2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000884707356 1025231764 /nfs/dbraw/zinc/23/17/64/1025231764.db2.gz HTDPFACFVBGRLU-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN Cc1nc(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)[nH]c1C ZINC000884707419 1025233513 /nfs/dbraw/zinc/23/35/13/1025233513.db2.gz KHVVUNROJWRRTM-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN O=[N+]([O-])c1ncccc1CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000886005729 1025434064 /nfs/dbraw/zinc/43/40/64/1025434064.db2.gz IUGVPBINLCGHCK-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN CC[C@H](NCc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886105156 1025506496 /nfs/dbraw/zinc/50/64/96/1025506496.db2.gz SXBFNDDTLCFTLZ-AWEZNQCLSA-N 0 1 305.765 3.884 20 5 DHBDMN COc1cc(/C=C\c2cc(C=O)c(C)s2)cc([N+](=O)[O-])c1O ZINC000760266057 1025725730 /nfs/dbraw/zinc/72/57/30/1025725730.db2.gz RNQZGSAEPKITCH-ARJAWSKDSA-N 0 1 319.338 3.662 20 5 DHBDMN Cc1c(CN[C@@H]2CCc3nc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000806162376 1025819191 /nfs/dbraw/zinc/81/91/91/1025819191.db2.gz VUJXEHYQKHIIIL-CYBMUJFWSA-N 0 1 317.776 3.729 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCc2c1cccc2F ZINC000886923122 1025981769 /nfs/dbraw/zinc/98/17/69/1025981769.db2.gz MMGIRQMBVGGXEY-INIZCTEOSA-N 0 1 316.332 3.520 20 5 DHBDMN CCCC[C@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289761062 1026161621 /nfs/dbraw/zinc/16/16/21/1026161621.db2.gz FYYFBFAXZHVOAI-LBPRGKRZSA-N 0 1 318.377 3.655 20 5 DHBDMN CCCN(CCc1ccccn1)Cc1csc([N+](=O)[O-])c1 ZINC000289840507 1026194426 /nfs/dbraw/zinc/19/44/26/1026194426.db2.gz PHWLRPWWPPQJLQ-UHFFFAOYSA-N 0 1 305.403 3.506 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000280423442 1026648249 /nfs/dbraw/zinc/64/82/49/1026648249.db2.gz ZHGJWGMBIMWOJV-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN CC(C)CN(Cc1ccc([N+](=O)[O-])c(F)c1)Cc1ccccn1 ZINC000932449877 1027500960 /nfs/dbraw/zinc/50/09/60/1027500960.db2.gz UVAFPWWEDLPTOL-UHFFFAOYSA-N 0 1 317.364 3.787 20 5 DHBDMN CCn1cc([C@H](C)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061426 1027531515 /nfs/dbraw/zinc/53/15/15/1027531515.db2.gz VWZNLWYOLDSOBK-YVEFUNNKSA-N 0 1 314.389 3.539 20 5 DHBDMN CCn1cc([C@@H](C)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000296061411 1027532087 /nfs/dbraw/zinc/53/20/87/1027532087.db2.gz VWZNLWYOLDSOBK-PXAZEXFGSA-N 0 1 314.389 3.539 20 5 DHBDMN O=[N+]([O-])c1ccc(NCc2ccc3nc[nH]c3c2)c(Cl)c1 ZINC000600852690 1027867247 /nfs/dbraw/zinc/86/72/47/1027867247.db2.gz TVYAOFMEQXAQSQ-UHFFFAOYSA-N 0 1 302.721 3.737 20 5 DHBDMN COc1cc(F)cc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577886095 1027974198 /nfs/dbraw/zinc/97/41/98/1027974198.db2.gz AARMTKCMRPONRK-MRXNPFEDSA-N 0 1 316.332 3.520 20 5 DHBDMN CSC1CCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601206999 1028024665 /nfs/dbraw/zinc/02/46/65/1028024665.db2.gz QPBOSSZDRKCABS-UHFFFAOYSA-N 0 1 317.414 3.783 20 5 DHBDMN C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001170769203 1028260632 /nfs/dbraw/zinc/26/06/32/1028260632.db2.gz NQOMFOJPUNTFGP-JSGCOSHPSA-N 0 1 306.406 3.947 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNc1cc2c(cn1)CCC2 ZINC000815159193 1028385355 /nfs/dbraw/zinc/38/53/55/1028385355.db2.gz LTPJTTNOWNIZBP-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN COc1cc(F)cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449243398 1028489875 /nfs/dbraw/zinc/48/98/75/1028489875.db2.gz KNIZPWMTWALRMS-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN COc1cc(F)cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000449338686 1028573546 /nfs/dbraw/zinc/57/35/46/1028573546.db2.gz HDRSZNZWUBOOHZ-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000449373521 1028581335 /nfs/dbraw/zinc/58/13/35/1028581335.db2.gz RNOBPCWYRSPTJR-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cncc(F)c3)C2)cc1 ZINC000449500878 1028717177 /nfs/dbraw/zinc/71/71/77/1028717177.db2.gz ONYDZMGHMCDIKY-OAHLLOKOSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](c2cccnc2)C1 ZINC000569238561 1029199735 /nfs/dbraw/zinc/19/97/35/1029199735.db2.gz NORALJIERPLJBB-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN Cc1ccc([C@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000569990518 1029296473 /nfs/dbraw/zinc/29/64/73/1029296473.db2.gz JMGXLBPZQMBXRG-QGZVFWFLSA-N 0 1 312.369 3.946 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3cccnc3)C2)c(Cl)c1 ZINC000570088380 1029311513 /nfs/dbraw/zinc/31/15/13/1029311513.db2.gz FLMLGWOGQQZFAQ-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN C[C@@H](NCc1cnc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000358038705 1030290138 /nfs/dbraw/zinc/29/01/38/1030290138.db2.gz PDLIXJFVXMDANT-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN Cc1ccc2nc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000557807932 1030302069 /nfs/dbraw/zinc/30/20/69/1030302069.db2.gz CMDSSVDATHYMDW-LLVKDONJSA-N 0 1 324.340 3.522 20 5 DHBDMN CC[C@H](N[C@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158178 1030348582 /nfs/dbraw/zinc/34/85/82/1030348582.db2.gz PGPMSBWEQISJEB-DLBZAZTESA-N 0 1 318.348 3.508 20 5 DHBDMN Cc1cccc2ncc(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)n21 ZINC000358288655 1030421959 /nfs/dbraw/zinc/42/19/59/1030421959.db2.gz NWXGYKWMANRLHR-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN Cc1cc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000339077868 1030492927 /nfs/dbraw/zinc/49/29/27/1030492927.db2.gz WJMVJLZAXBXWAR-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc2c(n1)CCC2 ZINC000825124218 1030730166 /nfs/dbraw/zinc/73/01/66/1030730166.db2.gz KJRDKFOOGJNGPW-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(F)ccc1F ZINC000558740735 1030763725 /nfs/dbraw/zinc/76/37/25/1030763725.db2.gz OBPASZAKGBLIKE-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN CCCCn1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000359329684 1030910197 /nfs/dbraw/zinc/91/01/97/1030910197.db2.gz JBLQOJVBDHSSIL-CYBMUJFWSA-N 0 1 316.405 3.751 20 5 DHBDMN C[C@H]1CC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558460 1031027636 /nfs/dbraw/zinc/02/76/36/1031027636.db2.gz OJTVDFYGBXGOOS-SJCJKPOMSA-N 0 1 315.373 3.748 20 5 DHBDMN C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559108122 1031126707 /nfs/dbraw/zinc/12/67/07/1031126707.db2.gz ZZAHGIVMOFXEIA-DYVFJYSZSA-N 0 1 312.369 3.678 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2cccc(Cl)c2)CC1 ZINC000559147425 1031137800 /nfs/dbraw/zinc/13/78/00/1031137800.db2.gz YKSJGLBORMMYJY-UHFFFAOYSA-N 0 1 318.760 3.733 20 5 DHBDMN Cc1[nH]ncc1CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000359894567 1031184925 /nfs/dbraw/zinc/18/49/25/1031184925.db2.gz DWWBJNYRKZTQNA-UHFFFAOYSA-N 0 1 314.267 3.566 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000360056612 1031259470 /nfs/dbraw/zinc/25/94/70/1031259470.db2.gz XSRIGAQKRLEAFL-WCBMZHEXSA-N 0 1 321.356 3.847 20 5 DHBDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000777699851 1031366551 /nfs/dbraw/zinc/36/65/51/1031366551.db2.gz FEMIGAOQFGGPTH-LBPRGKRZSA-N 0 1 317.364 3.969 20 5 DHBDMN O=c1cc(C2CCCC2)[nH]n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000871951908 1031386931 /nfs/dbraw/zinc/38/69/31/1031386931.db2.gz WCEVHBHYGQOOCG-UHFFFAOYSA-N 0 1 307.737 3.531 20 5 DHBDMN CO[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000872023438 1031408234 /nfs/dbraw/zinc/40/82/34/1031408234.db2.gz HKCZWCBYOZFUFE-BLLLJJGKSA-N 0 1 318.348 3.772 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(F)(F)F ZINC000872043460 1031431781 /nfs/dbraw/zinc/43/17/81/1031431781.db2.gz YKTIBEVZZPXZAX-MRVPVSSYSA-N 0 1 308.325 3.920 20 5 DHBDMN C[C@H](NC[C@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072644 1031468895 /nfs/dbraw/zinc/46/88/95/1031468895.db2.gz HZSWWWZVYZEFCI-RYUDHWBXSA-N 0 1 316.332 3.561 20 5 DHBDMN C[C@@H](NC[C@@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072645 1031470240 /nfs/dbraw/zinc/47/02/40/1031470240.db2.gz HZSWWWZVYZEFCI-VXGBXAGGSA-N 0 1 316.332 3.561 20 5 DHBDMN C[C@H](NC[C@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075841 1031472253 /nfs/dbraw/zinc/47/22/53/1031472253.db2.gz GTLPAXLOUVWBQE-UFBFGSQYSA-N 0 1 321.179 3.968 20 5 DHBDMN C[C@@H](NC1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093206 1031490602 /nfs/dbraw/zinc/49/06/02/1031490602.db2.gz HGWVBGYHZAIGDJ-IUODEOHRSA-N 0 1 322.380 3.876 20 5 DHBDMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596543 1031534281 /nfs/dbraw/zinc/53/42/81/1031534281.db2.gz FUTZZWHYDZMQFQ-RYUDHWBXSA-N 0 1 315.373 3.597 20 5 DHBDMN COc1ccccc1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006340 1031689692 /nfs/dbraw/zinc/68/96/92/1031689692.db2.gz FJMRZIZAOZPHPP-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN CCCC1CCC(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000361446896 1031928891 /nfs/dbraw/zinc/92/88/91/1031928891.db2.gz VJACEETZRSMUJI-UHFFFAOYSA-N 0 1 320.389 3.731 20 5 DHBDMN CCOc1ccc([C@H](C)N[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618396 1033531461 /nfs/dbraw/zinc/53/14/61/1033531461.db2.gz LVWDRNFLDJFOAD-QWHCGFSZSA-N 0 1 315.373 3.800 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCCC23CC3)c1F ZINC001173197318 1033589913 /nfs/dbraw/zinc/58/99/13/1033589913.db2.gz SPKFNGAYWWKZQA-LBPRGKRZSA-N 0 1 322.380 3.692 20 5 DHBDMN COc1ccc2c(c1)CN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173225182 1033602716 /nfs/dbraw/zinc/60/27/16/1033602716.db2.gz BVPQHZBUWPQNQY-ZDUSSCGKSA-N 0 1 312.369 3.550 20 5 DHBDMN Cc1ccc(CN2CCC=C(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000878648165 1033782289 /nfs/dbraw/zinc/78/22/89/1033782289.db2.gz MGOWNLPGRWJUAQ-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN CN(Cc1ccc(Cl)c(F)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339058774 1034127155 /nfs/dbraw/zinc/12/71/55/1034127155.db2.gz YDAMBHRFBBDUAR-UHFFFAOYSA-N 0 1 324.739 3.725 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000184300982 1034463214 /nfs/dbraw/zinc/46/32/14/1034463214.db2.gz QGJRDCLHVKKVSX-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000600182362 1034795646 /nfs/dbraw/zinc/79/56/46/1034795646.db2.gz AYHUZLRCEVORHQ-MVTQWGDUSA-N 0 1 310.344 3.831 20 5 DHBDMN O=[N+]([O-])c1ccc(OCCN2Cc3ccccc3C3(CC3)C2)cc1 ZINC000481722137 1034950810 /nfs/dbraw/zinc/95/08/10/1034950810.db2.gz JMHUPQZWDUIZQX-UHFFFAOYSA-N 0 1 324.380 3.521 20 5 DHBDMN CC[C@@H](NCc1cc2cnccc2o1)c1cccc([N+](=O)[O-])c1 ZINC001178204599 1035414720 /nfs/dbraw/zinc/41/47/20/1035414720.db2.gz JVVBVNIJBSDHEN-MRXNPFEDSA-N 0 1 311.341 3.977 20 5 DHBDMN COc1ccc(CN2CC=C(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000535407081 1035612979 /nfs/dbraw/zinc/61/29/79/1035612979.db2.gz ZBWNKYBAXHUMML-UHFFFAOYSA-N 0 1 304.390 3.782 20 5 DHBDMN CC(C)CCN(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089886341 1035766128 /nfs/dbraw/zinc/76/61/28/1035766128.db2.gz VFQXQXAMNZKQKM-UHFFFAOYSA-N 0 1 303.362 3.728 20 5 DHBDMN C[C@@H]1CC[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907259 1035785468 /nfs/dbraw/zinc/78/54/68/1035785468.db2.gz WKVKEDDWHOLWGN-CHWSQXEVSA-N 0 1 315.373 3.870 20 5 DHBDMN COc1cc(CN(C)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000485766454 1035943300 /nfs/dbraw/zinc/94/33/00/1035943300.db2.gz OBOHHEIXCGFJRC-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN CC(C)CSCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000443600043 1036432953 /nfs/dbraw/zinc/43/29/53/1036432953.db2.gz DOCMLHHNOUDSRF-UHFFFAOYSA-N 0 1 308.447 3.732 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC001196328455 1036503326 /nfs/dbraw/zinc/50/33/26/1036503326.db2.gz AEASWSVNUYCBHQ-HNNXBMFYSA-N 0 1 304.390 3.845 20 5 DHBDMN O=[N+]([O-])c1ccc(Nc2cc(-c3ccc(F)cc3)no2)cn1 ZINC001203566623 1036588015 /nfs/dbraw/zinc/58/80/15/1036588015.db2.gz LBEZUQJGYQJJCK-UHFFFAOYSA-N 0 1 300.249 3.528 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCSC[C@H]1C ZINC001198518329 1037057358 /nfs/dbraw/zinc/05/73/58/1037057358.db2.gz YFWVWUNNWIIZCN-CYBMUJFWSA-N 0 1 324.446 3.709 20 5 DHBDMN Cc1ccccc1OCCN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000487675349 1037248783 /nfs/dbraw/zinc/24/87/83/1037248783.db2.gz QHESTRRTPACBPL-OAHLLOKOSA-N 0 1 314.385 3.975 20 5 DHBDMN Cc1nc(C)c(CNCc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000761525334 1037350857 /nfs/dbraw/zinc/35/08/57/1037350857.db2.gz GQAMUWHSBYKFBH-UHFFFAOYSA-N 0 1 311.794 3.611 20 5 DHBDMN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCC2 ZINC000775054960 1037523481 /nfs/dbraw/zinc/52/34/81/1037523481.db2.gz DAQDDCLWOFZEKP-GFCCVEGCSA-N 0 1 319.361 3.515 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C=CCCC3)cs2)c1 ZINC000151138308 1037731537 /nfs/dbraw/zinc/73/15/37/1037731537.db2.gz WBJXIKIRAYBTSW-ZDUSSCGKSA-N 0 1 315.398 3.917 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000609196491 1038073870 /nfs/dbraw/zinc/07/38/70/1038073870.db2.gz VYMLPBPLVUGIEW-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN CC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191560029 1038521230 /nfs/dbraw/zinc/52/12/30/1038521230.db2.gz VIXJJSZSIVRTPS-JTQLQIEISA-N 0 1 313.195 3.589 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000057621024 1038690848 /nfs/dbraw/zinc/69/08/48/1038690848.db2.gz BGIHTHHWQMUFQC-UHFFFAOYSA-N 0 1 300.333 3.899 20 5 DHBDMN CCCc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000598633014 1038789463 /nfs/dbraw/zinc/78/94/63/1038789463.db2.gz IBJRAAUBIBWYSD-UHFFFAOYSA-N 0 1 320.414 3.907 20 5 DHBDMN CCCN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000170958410 1039129768 /nfs/dbraw/zinc/12/97/68/1039129768.db2.gz XGEUFQNBLRRLPT-HNNXBMFYSA-N 0 1 310.369 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC2(c3ccccc3F)CCC2)cc1 ZINC000592144196 1039137401 /nfs/dbraw/zinc/13/74/01/1039137401.db2.gz BYHBVVRQCTYHFC-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN CCc1ccc(CN(C)Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000603840012 1039193736 /nfs/dbraw/zinc/19/37/36/1039193736.db2.gz NPGKUYFFASTFMS-UHFFFAOYSA-N 0 1 314.385 3.798 20 5 DHBDMN Cc1c(CN[C@@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599570480 1039209409 /nfs/dbraw/zinc/20/94/09/1039209409.db2.gz YJYUHAXYLGEDSO-GOSISDBHSA-N 0 1 311.385 3.929 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000592365263 1039378382 /nfs/dbraw/zinc/37/83/82/1039378382.db2.gz MWINANIJGOABNF-AWEZNQCLSA-N 0 1 316.405 3.607 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000574128269 1039412427 /nfs/dbraw/zinc/41/24/27/1039412427.db2.gz PWORGKVDQPSZPP-MNOVXSKESA-N 0 1 309.797 3.594 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000574128269 1039412438 /nfs/dbraw/zinc/41/24/38/1039412438.db2.gz PWORGKVDQPSZPP-MNOVXSKESA-N 0 1 309.797 3.594 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(C)s1 ZINC000595011328 1039972893 /nfs/dbraw/zinc/97/28/93/1039972893.db2.gz MDKNCPUXLWXXAI-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(C)s1 ZINC000595011325 1039973442 /nfs/dbraw/zinc/97/34/42/1039973442.db2.gz MDKNCPUXLWXXAI-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN CC[C@@H](CC(F)(F)F)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031434 1040039283 /nfs/dbraw/zinc/03/92/83/1040039283.db2.gz GPVYHGUMRSWHSU-ZJUUUORDSA-N 0 1 320.311 3.985 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)CC(F)(F)F ZINC000595032664 1040039693 /nfs/dbraw/zinc/03/96/93/1040039693.db2.gz KMPMJXIZRKBTOV-IUCAKERBSA-N 0 1 306.284 3.595 20 5 DHBDMN CCOc1cccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595414787 1040133258 /nfs/dbraw/zinc/13/32/58/1040133258.db2.gz MYUUDUSLEWTGPV-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCF)C1 ZINC000595755967 1040243701 /nfs/dbraw/zinc/24/37/01/1040243701.db2.gz RZCMHGLVTAPENO-ZDUSSCGKSA-N 0 1 310.369 3.565 20 5 DHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CC1(C)C ZINC000595908739 1040274674 /nfs/dbraw/zinc/27/46/74/1040274674.db2.gz KDSLTQOEYRPTIF-CYBMUJFWSA-N 0 1 315.373 3.728 20 5 DHBDMN CC[C@@H]1CCC[C@H](C)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595868644 1040275832 /nfs/dbraw/zinc/27/58/32/1040275832.db2.gz XITLWXGZZFUYKS-SWLSCSKDSA-N 0 1 320.389 3.614 20 5 DHBDMN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccncc1 ZINC000596592982 1040506359 /nfs/dbraw/zinc/50/63/59/1040506359.db2.gz OFBIGJQOYMEHSX-QGZVFWFLSA-N 0 1 311.385 3.615 20 5 DHBDMN CC[C@]1(C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534107172 1040719606 /nfs/dbraw/zinc/71/96/06/1040719606.db2.gz MIZHCNYHHYSUGH-QGZVFWFLSA-N 0 1 315.373 3.872 20 5 DHBDMN CC(C)N(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000534347033 1040813735 /nfs/dbraw/zinc/81/37/35/1040813735.db2.gz XPKASFHYGNTCIQ-VQHVLOKHSA-N 0 1 311.385 3.914 20 5 DHBDMN O=[N+]([O-])c1cc(CN(C[C@H]2CCCO2)C2CCCC2)cs1 ZINC000075831509 1040827119 /nfs/dbraw/zinc/82/71/19/1040827119.db2.gz RQIOJKPXYJMVFL-CQSZACIVSA-N 0 1 310.419 3.580 20 5 DHBDMN CC(C)CSCCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602577420 1041110884 /nfs/dbraw/zinc/11/08/84/1041110884.db2.gz OAYCJDAMEBKRNX-UHFFFAOYSA-N 0 1 323.418 3.605 20 5 DHBDMN Cn1cc(CN[C@@H](CC(C)(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602798883 1041222427 /nfs/dbraw/zinc/22/24/27/1041222427.db2.gz GWSOYVJDGOODHW-HNNXBMFYSA-N 0 1 316.405 3.595 20 5 DHBDMN CN(Cc1ccc(OC(F)F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977584 183325277 /nfs/dbraw/zinc/32/52/77/183325277.db2.gz YGIPMMTYEZUEFE-UHFFFAOYSA-N 0 1 322.311 3.828 20 5 DHBDMN Cc1c(CN2CCC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000298723248 132075291 /nfs/dbraw/zinc/07/52/91/132075291.db2.gz LVRJRXSRYMKTOD-GFCCVEGCSA-N 0 1 302.296 3.678 20 5 DHBDMN CCC[C@H](N[C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163894953 132126392 /nfs/dbraw/zinc/12/63/92/132126392.db2.gz OXIRFKVUYYGCJG-WBMJQRKESA-N 0 1 302.378 3.520 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC=C(c2ccccn2)C1 ZINC000555878325 332265931 /nfs/dbraw/zinc/26/59/31/332265931.db2.gz JBVCTGHHMZUYEC-AWEZNQCLSA-N 0 1 309.369 3.840 20 5 DHBDMN CCCN1CCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000564405345 332276266 /nfs/dbraw/zinc/27/62/66/332276266.db2.gz PTLSXYAFGJBWFX-CQSZACIVSA-N 0 1 316.361 3.500 20 5 DHBDMN CC[C@H](NCc1cc(F)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000179596767 333153259 /nfs/dbraw/zinc/15/32/59/333153259.db2.gz BARRWXSEEXUDQR-KRWDZBQOSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1ccc2cc(CNCc3ccccc3[N+](=O)[O-])ccc2n1 ZINC000187641896 334266514 /nfs/dbraw/zinc/26/65/14/334266514.db2.gz IGTLSMBGQHGUKB-UHFFFAOYSA-N 0 1 307.353 3.741 20 5 DHBDMN CC[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883042 334489360 /nfs/dbraw/zinc/48/93/60/334489360.db2.gz UEUSKWJDUKNGRF-IAQYHMDHSA-N 0 1 316.405 3.747 20 5 DHBDMN CC[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883043 334489467 /nfs/dbraw/zinc/48/94/67/334489467.db2.gz UEUSKWJDUKNGRF-NHYWBVRUSA-N 0 1 316.405 3.747 20 5 DHBDMN CC1(C)C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343633368 335183474 /nfs/dbraw/zinc/18/34/74/335183474.db2.gz DYGIMVJWAMMCHE-ZDUSSCGKSA-N 0 1 303.387 3.606 20 5 DHBDMN O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000343968263 335208440 /nfs/dbraw/zinc/20/84/40/335208440.db2.gz KOLAVNBVXPGAKS-UHFFFAOYSA-N 0 1 316.288 3.569 20 5 DHBDMN CC(F)(F)c1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000444473549 338473902 /nfs/dbraw/zinc/47/39/02/338473902.db2.gz HMWNCUWCPPPNDS-UHFFFAOYSA-N 0 1 322.267 3.664 20 5 DHBDMN CCn1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000532220523 335917035 /nfs/dbraw/zinc/91/70/35/335917035.db2.gz XPBFKTPHSVAUAN-GFCCVEGCSA-N 0 1 316.405 3.587 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)N2CCCC2)c1 ZINC000301591848 336316959 /nfs/dbraw/zinc/31/69/59/336316959.db2.gz ZHTXFVKQAFXHJZ-INIZCTEOSA-N 0 1 315.373 3.745 20 5 DHBDMN COc1cc(F)c([N+](=O)[O-])c(Nc2cc3cn[nH]c3cc2C)c1 ZINC000302735336 336367170 /nfs/dbraw/zinc/36/71/70/336367170.db2.gz WIWRGHIRBNUTKP-UHFFFAOYSA-N 0 1 316.292 3.671 20 5 DHBDMN CC(C)C[C@H]1CCCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356630878 336556729 /nfs/dbraw/zinc/55/67/29/336556729.db2.gz HWEUIEDKJDNCCB-CQSZACIVSA-N 0 1 320.389 3.731 20 5 DHBDMN C[C@@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000375343922 337008467 /nfs/dbraw/zinc/00/84/67/337008467.db2.gz AMNUFGBGFSHXBZ-BDJLRTHQSA-N 0 1 316.332 3.908 20 5 DHBDMN CC(C)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239253 337049166 /nfs/dbraw/zinc/04/91/66/337049166.db2.gz MGISCYHPZNYCJZ-HOTGVXAUSA-N 0 1 318.417 3.577 20 5 DHBDMN Cc1ccc(CN[C@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000188951053 337276923 /nfs/dbraw/zinc/27/69/23/337276923.db2.gz VUFXCLDSYYPNOB-INIZCTEOSA-N 0 1 312.369 3.825 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000424149608 337775091 /nfs/dbraw/zinc/77/50/91/337775091.db2.gz WUWILZPCCXQTQB-ZDUSSCGKSA-N 0 1 302.378 3.531 20 5 DHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1cccs1 ZINC000430213228 338101672 /nfs/dbraw/zinc/10/16/72/338101672.db2.gz SHNKSIYGAISERO-ZDUSSCGKSA-N 0 1 306.387 3.906 20 5 DHBDMN Cc1ncsc1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163368 338183475 /nfs/dbraw/zinc/18/34/75/338183475.db2.gz BDFFBNUAJIHAFM-CQSZACIVSA-N 0 1 317.414 3.872 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCN(C)c1ccccc1 ZINC000436394480 338270636 /nfs/dbraw/zinc/27/06/36/338270636.db2.gz WMLTUQJUCCCVJT-HNNXBMFYSA-N 0 1 313.401 3.724 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(C)cc1 ZINC000194568836 338567356 /nfs/dbraw/zinc/56/73/56/338567356.db2.gz NEXVMPUBTITRMJ-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@H](NCc1ccnn1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000449347805 338615979 /nfs/dbraw/zinc/61/59/79/338615979.db2.gz JDRKIYBCKWMOSQ-ZDUSSCGKSA-N 0 1 314.389 3.757 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449643836 338643941 /nfs/dbraw/zinc/64/39/41/338643941.db2.gz ZJSGZBCWCXCCMA-INIZCTEOSA-N 0 1 314.341 3.621 20 5 DHBDMN O=[N+]([O-])c1ccc(CNc2cc3c(cn2)CCCC3)c(F)c1 ZINC000461187303 339060108 /nfs/dbraw/zinc/06/01/08/339060108.db2.gz QSSDSIMHDORRHP-UHFFFAOYSA-N 0 1 301.321 3.620 20 5 DHBDMN CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)C ZINC000463375656 339116132 /nfs/dbraw/zinc/11/61/32/339116132.db2.gz MPLVGVAUCDIBEG-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN COc1cc(CN2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000463470906 339118926 /nfs/dbraw/zinc/11/89/26/339118926.db2.gz UEMSHJCDWYVCBR-DOMZBBRYSA-N 0 1 322.380 3.897 20 5 DHBDMN CC1(C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)C1 ZINC000466937229 339222218 /nfs/dbraw/zinc/22/22/18/339222218.db2.gz BJDCDFAJTNJPSO-UHFFFAOYSA-N 0 1 317.389 3.994 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000469450315 339289812 /nfs/dbraw/zinc/28/98/12/339289812.db2.gz NHMHWHNDGVQQOM-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000469994232 339307436 /nfs/dbraw/zinc/30/74/36/339307436.db2.gz YJPJFIPTOWPAIW-LBPRGKRZSA-N 0 1 302.296 3.758 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCOC2(CCCC2)C1 ZINC000470178815 339312977 /nfs/dbraw/zinc/31/29/77/339312977.db2.gz OKBIKNHOGNSZCO-RVDMUPIBSA-N 0 1 316.401 3.643 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480456750 339573719 /nfs/dbraw/zinc/57/37/19/339573719.db2.gz RWVHHDXLLSCJIF-HNNXBMFYSA-N 0 1 322.380 3.705 20 5 DHBDMN COc1ccccc1CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000505598028 340172481 /nfs/dbraw/zinc/17/24/81/340172481.db2.gz UYGJOPCHLWFLHH-YFHOEESVSA-N 0 1 312.369 3.749 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+](Cc1ccco1)C1CCCC1 ZINC000507203607 340213021 /nfs/dbraw/zinc/21/30/21/340213021.db2.gz NNKYIBHFZUQKBO-UHFFFAOYSA-N 0 1 316.357 3.838 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000507203607 340213022 /nfs/dbraw/zinc/21/30/22/340213022.db2.gz NNKYIBHFZUQKBO-UHFFFAOYSA-N 0 1 316.357 3.838 20 5 DHBDMN C[C@@H](C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000507921928 340235937 /nfs/dbraw/zinc/23/59/37/340235937.db2.gz RZFHFNATWKDISK-ZDUSSCGKSA-N 0 1 302.349 3.969 20 5 DHBDMN C[C@@H](CN(C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000507921928 340235938 /nfs/dbraw/zinc/23/59/38/340235938.db2.gz RZFHFNATWKDISK-ZDUSSCGKSA-N 0 1 302.349 3.969 20 5 DHBDMN CCN(Cc1ccccc1C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000509050464 340259661 /nfs/dbraw/zinc/25/96/61/340259661.db2.gz DGKYKFCGWAMYLA-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN COc1cccc([C@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511107684 340321002 /nfs/dbraw/zinc/32/10/02/340321002.db2.gz LLYIQAXBUUNILY-AWEZNQCLSA-N 0 1 314.385 3.839 20 5 DHBDMN CN(CCc1ccc(Cl)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000512701790 340373678 /nfs/dbraw/zinc/37/36/78/340373678.db2.gz VGVFELGBMSVSHH-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN Cc1cc(N[C@@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542121832 340995940 /nfs/dbraw/zinc/99/59/40/340995940.db2.gz CUCPRGMQVVWRTK-LLVKDONJSA-N 0 1 321.327 3.863 20 5 DHBDMN CCc1ccc([C@@H](NC2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494839 341010253 /nfs/dbraw/zinc/01/02/53/341010253.db2.gz QBCVUMUIYVMQMK-KRWDZBQOSA-N 0 1 300.358 3.982 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000078973089 341250848 /nfs/dbraw/zinc/25/08/48/341250848.db2.gz AYDKWMKJUNGILI-NEPJUHHUSA-N 0 1 314.341 3.735 20 5 DHBDMN Cc1cccn2c(CNC(C)(C)c3ccc([N+](=O)[O-])cc3)cnc12 ZINC000080347034 341273003 /nfs/dbraw/zinc/27/30/03/341273003.db2.gz BAFYKTFTSYOPIR-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845233 341304937 /nfs/dbraw/zinc/30/49/37/341304937.db2.gz HXOYPVJSOJSFLK-ZFWWWQNUSA-N 0 1 312.369 3.678 20 5 DHBDMN CC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549865827 341305530 /nfs/dbraw/zinc/30/55/30/341305530.db2.gz GWYAKZRVTKSOSB-SNVBAGLBSA-N 0 1 302.296 3.846 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931255 341327205 /nfs/dbraw/zinc/32/72/05/341327205.db2.gz BZCCMVREZISRGB-GUYCJALGSA-N 0 1 312.369 3.825 20 5 DHBDMN CCc1ccc([C@@H](NCCCF)c2ccc([N+](=O)[O-])cc2)o1 ZINC000576739856 341860835 /nfs/dbraw/zinc/86/08/35/341860835.db2.gz NUHKPVHVGFWGLB-INIZCTEOSA-N 0 1 306.337 3.789 20 5 DHBDMN CC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1c(C)noc1C ZINC000577963089 341959541 /nfs/dbraw/zinc/95/95/41/341959541.db2.gz OFTULOUZKYMVER-GJZGRUSLSA-N 0 1 315.373 3.928 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1O ZINC000266804362 520729388 /nfs/dbraw/zinc/72/93/88/520729388.db2.gz SSZAKUAEWYGJJM-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000246463385 524299386 /nfs/dbraw/zinc/29/93/86/524299386.db2.gz OEWGCUUQDKKFJH-RYUDHWBXSA-N 0 1 317.414 3.949 20 5 DHBDMN Cc1ccc(CN[C@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000191123313 524610501 /nfs/dbraw/zinc/61/05/01/524610501.db2.gz BRFHLDINTRMBMV-HNNXBMFYSA-N 0 1 316.332 3.656 20 5 DHBDMN Cc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000266906332 524778727 /nfs/dbraw/zinc/77/87/27/524778727.db2.gz VEOCFQZXKNHBPH-CYBMUJFWSA-N 0 1 300.358 3.768 20 5 DHBDMN Cc1c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191351091 525920467 /nfs/dbraw/zinc/92/04/67/525920467.db2.gz QMIDJUNAFYNKDU-LBPRGKRZSA-N 0 1 302.378 3.531 20 5 DHBDMN COCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518810 536808331 /nfs/dbraw/zinc/80/83/31/536808331.db2.gz HLLGEQIYJSYUJT-DZGCQCFKSA-N 0 1 318.373 3.925 20 5 DHBDMN COCC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133420 536819460 /nfs/dbraw/zinc/81/94/60/536819460.db2.gz XFASPAFUEBHKTD-CJNGLKHVSA-N 0 1 318.373 3.925 20 5 DHBDMN C[N@@H+](CCC1CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092067053 1013293780 /nfs/dbraw/zinc/29/37/80/1013293780.db2.gz KZTYJAUWBRDPCE-UHFFFAOYSA-N 0 1 317.414 3.950 20 5 DHBDMN CN(CCC1CC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000092067053 1013293789 /nfs/dbraw/zinc/29/37/89/1013293789.db2.gz KZTYJAUWBRDPCE-UHFFFAOYSA-N 0 1 317.414 3.950 20 5 DHBDMN Cc1cccc(CN(Cc2cccnc2[N+](=O)[O-])CC(C)C)c1 ZINC001167199715 1013383068 /nfs/dbraw/zinc/38/30/68/1013383068.db2.gz SXGKZMSDLOEOGZ-UHFFFAOYSA-N 0 1 313.401 3.956 20 5 DHBDMN CC[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000091929207 1014092813 /nfs/dbraw/zinc/09/28/13/1014092813.db2.gz JSVBGDUGNBJZQN-LBPRGKRZSA-N 0 1 317.414 3.950 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1cnc(Cl)s1 ZINC000895152293 1014635365 /nfs/dbraw/zinc/63/53/65/1014635365.db2.gz QILPGKPITXYJFH-UHFFFAOYSA-N 0 1 311.794 3.611 20 5 DHBDMN CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594930917 982557453 /nfs/dbraw/zinc/55/74/53/982557453.db2.gz BXPJDCPYUCNLAJ-WFASDCNBSA-N 0 1 320.389 3.694 20 5 DHBDMN Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1[N+](=O)[O-] ZINC000474432773 1015356313 /nfs/dbraw/zinc/35/63/13/1015356313.db2.gz RICDURBGLOIRMQ-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN CC(C)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610582551 1015629798 /nfs/dbraw/zinc/62/97/98/1015629798.db2.gz XCYOPCOEMJNQPM-GFCCVEGCSA-N 0 1 303.362 3.604 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccccn2)C2CC2)cc1Cl ZINC000896613461 1015672859 /nfs/dbraw/zinc/67/28/59/1015672859.db2.gz XFAZRXJLPIPZJG-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)c(C)c1 ZINC000610810552 1015849623 /nfs/dbraw/zinc/84/96/23/1015849623.db2.gz UZYKYEKZHXWZKP-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3cccnc32)cc1Cl ZINC000897071350 1017033867 /nfs/dbraw/zinc/03/38/67/1017033867.db2.gz AUSWQASTYKYAJI-CQSZACIVSA-N 0 1 317.776 3.810 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000424149604 1011921123 /nfs/dbraw/zinc/92/11/23/1011921123.db2.gz WUWILZPCCXQTQB-CYBMUJFWSA-N 0 1 302.378 3.531 20 5 DHBDMN C[C@@H]1[C@H](C(F)(F)F)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475283513 1017115817 /nfs/dbraw/zinc/11/58/17/1017115817.db2.gz IMBLXHJDVCOFMQ-CBHWHFHUSA-N 0 1 314.307 3.881 20 5 DHBDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000475283519 1017115843 /nfs/dbraw/zinc/11/58/43/1017115843.db2.gz IMBLXHJDVCOFMQ-YJLKIPLNSA-N 0 1 314.307 3.881 20 5 DHBDMN CC(C)C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444643666 1017613789 /nfs/dbraw/zinc/61/37/89/1017613789.db2.gz TXXZWNIPKYWNDY-ZDUSSCGKSA-N 0 1 316.405 3.729 20 5 DHBDMN CC[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccs1 ZINC000444680939 1017627309 /nfs/dbraw/zinc/62/73/09/1017627309.db2.gz RVQOUHYCRGZNEL-LLVKDONJSA-N 0 1 316.386 3.774 20 5 DHBDMN CC(C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000444771199 1017667965 /nfs/dbraw/zinc/66/79/65/1017667965.db2.gz INNJELWEZOJAID-GFCCVEGCSA-N 0 1 303.362 3.604 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171613875 1017965262 /nfs/dbraw/zinc/96/52/62/1017965262.db2.gz FNXDWFNDHHIYFI-UHFFFAOYSA-N 0 1 321.380 3.677 20 5 DHBDMN C[C@@]1(c2ccccc2)CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446724410 1018227072 /nfs/dbraw/zinc/22/70/72/1018227072.db2.gz ZYJOZWNTQXFJNV-GOSISDBHSA-N 0 1 314.360 3.898 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[C@H]3C3CC3)c2c1 ZINC000728563418 1018387573 /nfs/dbraw/zinc/38/75/73/1018387573.db2.gz UVYDAUUNSMHGCP-LBPRGKRZSA-N 0 1 319.386 3.704 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447406439 1018392674 /nfs/dbraw/zinc/39/26/74/1018392674.db2.gz UWAJGKJSZSUVEA-GFCCVEGCSA-N 0 1 316.405 3.808 20 5 DHBDMN CC(C)N1CC[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228150881 1018454011 /nfs/dbraw/zinc/45/40/11/1018454011.db2.gz BYMLCDUXFUCJQN-VIFPVBQESA-N 0 1 319.188 3.763 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(O)cc(F)c1 ZINC000926492827 1018458491 /nfs/dbraw/zinc/45/84/91/1018458491.db2.gz GGBNCSHERADIMD-WDEREUQCSA-N 0 1 304.321 3.851 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000278323920 1018568158 /nfs/dbraw/zinc/56/81/58/1018568158.db2.gz FFUJKCNURADDPX-LLVKDONJSA-N 0 1 303.337 3.597 20 5 DHBDMN CC[C@@H](NCc1cccc2c1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000921817212 1018897686 /nfs/dbraw/zinc/89/76/86/1018897686.db2.gz JSILUTXTIRVQMO-QGZVFWFLSA-N 0 1 312.369 3.771 20 5 DHBDMN C[C@@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968034 1019231908 /nfs/dbraw/zinc/23/19/08/1019231908.db2.gz VZQPBLZYPLECRF-CHWSQXEVSA-N 0 1 312.369 3.769 20 5 DHBDMN Cc1ccc(CN[C@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000131444021 1019293065 /nfs/dbraw/zinc/29/30/65/1019293065.db2.gz BGCFQACROJWEOB-INIZCTEOSA-N 0 1 300.333 3.819 20 5 DHBDMN Cn1cccc1[C@@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255361573 1019408437 /nfs/dbraw/zinc/40/84/37/1019408437.db2.gz NVVMAWOJTJQMLM-MSEQUDFZSA-N 0 1 311.385 3.784 20 5 DHBDMN CCc1ccc([C@@H](CO)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844556 1019420885 /nfs/dbraw/zinc/42/08/85/1019420885.db2.gz UPMMGUIGBBEARD-FZKQIMNGSA-N 0 1 314.385 3.541 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccoc2C)cc1[N+](=O)[O-] ZINC000611248224 1019421524 /nfs/dbraw/zinc/42/15/24/1019421524.db2.gz QLPLMKYXCSZDDS-LLVKDONJSA-N 0 1 304.346 3.746 20 5 DHBDMN O=[N+]([O-])c1ccsc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000611411389 1019474822 /nfs/dbraw/zinc/47/48/22/1019474822.db2.gz QKDXRXJYRSKXMY-UHFFFAOYSA-N 0 1 304.356 3.593 20 5 DHBDMN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568709 1020256107 /nfs/dbraw/zinc/25/61/07/1020256107.db2.gz IPISVDLHLHVODV-QMMMGPOBSA-N 0 1 317.736 3.693 20 5 DHBDMN CCN(CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000732663239 1020267330 /nfs/dbraw/zinc/26/73/30/1020267330.db2.gz LHGSAXZSRBRMAZ-UHFFFAOYSA-N 0 1 307.375 3.561 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000338889701 1020340961 /nfs/dbraw/zinc/34/09/61/1020340961.db2.gz JZKNTPXDPWPRMW-MRXNPFEDSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000338889701 1020340965 /nfs/dbraw/zinc/34/09/65/1020340965.db2.gz JZKNTPXDPWPRMW-MRXNPFEDSA-N 0 1 316.332 3.777 20 5 DHBDMN CC(C)OCCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000186642770 1020362377 /nfs/dbraw/zinc/36/23/77/1020362377.db2.gz IHUVZTKMHMGKDM-GOSISDBHSA-N 0 1 314.385 3.699 20 5 DHBDMN CCOC(C)(C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302470023 1020425299 /nfs/dbraw/zinc/42/52/99/1020425299.db2.gz UAZDGALSQXZWNS-UHFFFAOYSA-N 0 1 303.362 3.678 20 5 DHBDMN Cc1ccc(NC[C@@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000715647168 1020554420 /nfs/dbraw/zinc/55/44/20/1020554420.db2.gz VXOLIDGUNPPGEK-INIZCTEOSA-N 0 1 311.385 3.590 20 5 DHBDMN CN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)CC(C)(C)C ZINC000738098960 1020859683 /nfs/dbraw/zinc/85/96/83/1020859683.db2.gz MKDIOKFLNXIVKM-UHFFFAOYSA-N 0 1 309.391 3.807 20 5 DHBDMN O=[N+]([O-])c1ccc2c(cnn2CN2CCC3(CCCC3)CC2)c1 ZINC000738282685 1020868309 /nfs/dbraw/zinc/86/83/09/1020868309.db2.gz HXFSKLIPIHZURA-UHFFFAOYSA-N 0 1 314.389 3.558 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cccc(C)c1 ZINC000173979549 1020948476 /nfs/dbraw/zinc/94/84/76/1020948476.db2.gz SKLPIECFBDIFIW-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@@H]1C[C@H](C)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000740860735 1020954177 /nfs/dbraw/zinc/95/41/77/1020954177.db2.gz RJSVNIHYZCMGAE-VHSXEESVSA-N 0 1 307.375 3.560 20 5 DHBDMN COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952494 1032952201 /nfs/dbraw/zinc/95/22/01/1032952201.db2.gz HZJWNZJSLRQMPE-KSSFIOAISA-N 0 1 314.385 3.942 20 5 DHBDMN CC(C)CN(Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339012390 1032968675 /nfs/dbraw/zinc/96/86/75/1032968675.db2.gz FREHDMPXHCKUDG-UHFFFAOYSA-N 0 1 316.357 3.669 20 5 DHBDMN CC[C@H](c1ccncc1)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000092224062 1021565531 /nfs/dbraw/zinc/56/55/31/1021565531.db2.gz BHDMRXXVBJTLKA-OAHLLOKOSA-N 0 1 315.373 3.582 20 5 DHBDMN CC[C@H](N[C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401266 1022728369 /nfs/dbraw/zinc/72/83/69/1022728369.db2.gz LGUXIYFBEIHZJG-ROUUACIJSA-N 0 1 312.369 3.907 20 5 DHBDMN C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@@H]1C ZINC000770281760 1023290141 /nfs/dbraw/zinc/29/01/41/1023290141.db2.gz ADCYFHGBLUXXPR-NXEZZACHSA-N 0 1 313.195 3.588 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(CCCc1cccc(F)c1)C2 ZINC000538712809 1033141703 /nfs/dbraw/zinc/14/17/03/1033141703.db2.gz JZJXLLSIAQCQNF-UHFFFAOYSA-N 0 1 314.360 3.725 20 5 DHBDMN C[C@H]1C[C@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538717424 1033142180 /nfs/dbraw/zinc/14/21/80/1033142180.db2.gz ZZFRFIUYSDIFIR-RYUDHWBXSA-N 0 1 317.414 3.949 20 5 DHBDMN Cc1cccc(OCCN(C)Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788479616 1023891758 /nfs/dbraw/zinc/89/17/58/1023891758.db2.gz XIWMZNYSJAHYFB-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN C[C@@H](NCc1ccccc1Cl)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498562 1023895218 /nfs/dbraw/zinc/89/52/18/1023895218.db2.gz NNUBXHGFDQQBON-SNVBAGLBSA-N 0 1 305.765 3.681 20 5 DHBDMN Cc1cc(C)c(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000453372052 1024493855 /nfs/dbraw/zinc/49/38/55/1024493855.db2.gz RYUKKXDTLVMJBS-SFHVURJKSA-N 0 1 311.385 3.774 20 5 DHBDMN CCC[C@H](N[C@@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495795 1024522900 /nfs/dbraw/zinc/52/29/00/1024522900.db2.gz LGHFNZRYCOMOBU-JKSUJKDBSA-N 0 1 314.389 3.826 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000271594823 1024548647 /nfs/dbraw/zinc/54/86/47/1024548647.db2.gz YSCLNHSRUPBFCN-VXGBXAGGSA-N 0 1 317.393 3.557 20 5 DHBDMN COc1ccccc1C(C)(C)NCc1cccc([N+](=O)[O-])c1 ZINC000103172050 1024551557 /nfs/dbraw/zinc/55/15/57/1024551557.db2.gz QOTBSBOXTLHIIT-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN Cc1ccc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279129145 1024751882 /nfs/dbraw/zinc/75/18/82/1024751882.db2.gz QWKZGGXTOAFXQO-KRWDZBQOSA-N 0 1 311.385 3.810 20 5 DHBDMN COc1cc(C)ccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119804465 1024994459 /nfs/dbraw/zinc/99/44/59/1024994459.db2.gz WLHGIONXRLIWQT-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(C2CC2)no1 ZINC000886270504 1025574224 /nfs/dbraw/zinc/57/42/24/1025574224.db2.gz FOAZFKKYKHKEEC-GHXNOFRVSA-N 0 1 313.357 3.653 20 5 DHBDMN COc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1[N+](=O)[O-] ZINC000886364415 1025606545 /nfs/dbraw/zinc/60/65/45/1025606545.db2.gz ZCHMAHDRECSIHA-OAHLLOKOSA-N 0 1 316.332 3.520 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355211446 1025639775 /nfs/dbraw/zinc/63/97/75/1025639775.db2.gz BYPOBDGBZNZAQD-KRWDZBQOSA-N 0 1 306.406 3.719 20 5 DHBDMN CC(C)CCC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000356806384 1026175435 /nfs/dbraw/zinc/17/54/35/1026175435.db2.gz SOFXFPHZNVEJJT-UHFFFAOYSA-N 0 1 320.389 3.589 20 5 DHBDMN CCOC1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC000809708137 1026599584 /nfs/dbraw/zinc/59/95/84/1026599584.db2.gz ZLFBGXBOKUWQEC-UHFFFAOYSA-N 0 1 324.808 3.639 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420956473 1026892203 /nfs/dbraw/zinc/89/22/03/1026892203.db2.gz YJVLTCPPOPOOMK-NSHDSACASA-N 0 1 302.296 3.759 20 5 DHBDMN CCSCC[C@@H](C)N(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000362455720 1027214927 /nfs/dbraw/zinc/21/49/27/1027214927.db2.gz SXVOZPBAVWJNQI-GFCCVEGCSA-N 0 1 312.435 3.567 20 5 DHBDMN CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@H](C)OC ZINC000812807594 1027430485 /nfs/dbraw/zinc/43/04/85/1027430485.db2.gz RVWFJNJKOKJONP-VIFPVBQESA-N 0 1 321.204 3.758 20 5 DHBDMN Cc1nc2c(n1Cc1ccc(Cl)c([N+](=O)[O-])c1)CCCC2 ZINC000216713849 1027780292 /nfs/dbraw/zinc/78/02/92/1027780292.db2.gz MVVPYWOUFVWAME-UHFFFAOYSA-N 0 1 305.765 3.680 20 5 DHBDMN C[C@@H](NCc1ccc(C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000601101837 1027987306 /nfs/dbraw/zinc/98/73/06/1027987306.db2.gz YRIJQCCMEIGHLV-SNVBAGLBSA-N 0 1 307.300 3.778 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](c1ccncc1)C1CC1 ZINC000934691552 1028073023 /nfs/dbraw/zinc/07/30/23/1028073023.db2.gz IVLFMKQUKJNIML-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC2(CCOCC2)C1 ZINC000369391828 1028484963 /nfs/dbraw/zinc/48/49/63/1028484963.db2.gz PNZRVPRIVNKPLR-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN C[C@@H](NCc1ccc2ccccc2n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566944 1028547064 /nfs/dbraw/zinc/54/70/64/1028547064.db2.gz KIDKATSJMMMMLV-GFCCVEGCSA-N 0 1 322.368 3.576 20 5 DHBDMN C[C@@H](Nc1cc2c(cn1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627516 1028577397 /nfs/dbraw/zinc/57/73/97/1028577397.db2.gz CIHWINLWHFBPSO-LLVKDONJSA-N 0 1 312.373 3.624 20 5 DHBDMN O=[N+]([O-])c1ccc(CNc2cc3c(cn2)CCC3)cc1Cl ZINC000816661006 1028981253 /nfs/dbraw/zinc/98/12/53/1028981253.db2.gz YBLGJULMJNSIGK-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OCC2CC2)CC1 ZINC000374119977 1029213997 /nfs/dbraw/zinc/21/39/97/1029213997.db2.gz JCBFWDWOHFLFAK-CYBMUJFWSA-N 0 1 304.390 3.547 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ccccn3)CC2)cc1F ZINC000374870213 1029482333 /nfs/dbraw/zinc/48/23/33/1029482333.db2.gz XIEHLUDNQVQBSS-UHFFFAOYSA-N 0 1 315.348 3.509 20 5 DHBDMN C[C@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000530663118 1029952403 /nfs/dbraw/zinc/95/24/03/1029952403.db2.gz KGDWJUVSIHUDJO-AWEZNQCLSA-N 0 1 312.369 3.593 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccccc2)[C@@H]2CCOC2)cs1 ZINC000357349150 1030010752 /nfs/dbraw/zinc/01/07/52/1030010752.db2.gz CFBHJBJUAQLGDI-ZBFHGGJFSA-N 0 1 318.398 3.524 20 5 DHBDMN COc1ccsc1[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539991 1030361129 /nfs/dbraw/zinc/36/11/29/1030361129.db2.gz IWAFRBOSLWVXHH-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN CCC[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824543762 1030588104 /nfs/dbraw/zinc/58/81/04/1030588104.db2.gz NOZOYBLUNJVJMC-LLVKDONJSA-N 0 1 321.204 3.806 20 5 DHBDMN Cc1c(CN[C@@H](C)c2cnn(C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000926268595 1030681347 /nfs/dbraw/zinc/68/13/47/1030681347.db2.gz HWANSGUNRBQLFH-ZDUSSCGKSA-N 0 1 314.389 3.676 20 5 DHBDMN C[C@@H]1CC[C@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558458 1031027306 /nfs/dbraw/zinc/02/73/06/1031027306.db2.gz OJTVDFYGBXGOOS-PXAZEXFGSA-N 0 1 315.373 3.748 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCCc2cccnc21 ZINC000927061224 1031057936 /nfs/dbraw/zinc/05/79/36/1031057936.db2.gz CWBXDZZDCSSBEK-HZPDHXFCSA-N 0 1 309.369 3.644 20 5 DHBDMN C[C@@H](NCC(C)(C)c1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075107 1031472088 /nfs/dbraw/zinc/47/20/88/1031472088.db2.gz OHQWCBWJUUXUQX-GFCCVEGCSA-N 0 1 317.364 3.757 20 5 DHBDMN CC(C)OC1(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872117069 1031510933 /nfs/dbraw/zinc/51/09/33/1031510933.db2.gz YKEYMPQIWQNZIK-LBPRGKRZSA-N 0 1 310.369 3.732 20 5 DHBDMN Cc1c(CN[C@@H]2CCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000873111707 1031712180 /nfs/dbraw/zinc/71/21/80/1031712180.db2.gz GCHNMWLFRINQCZ-OAHLLOKOSA-N 0 1 316.332 3.656 20 5 DHBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCCCC1 ZINC000846243368 1031940865 /nfs/dbraw/zinc/94/08/65/1031940865.db2.gz ITNNJUPGSCGWRW-UHFFFAOYSA-N 0 1 320.389 3.838 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccc(C)nc2)cc1[N+](=O)[O-] ZINC000152988849 1033553556 /nfs/dbraw/zinc/55/35/56/1033553556.db2.gz NLUBIEFVFGWDFZ-CYBMUJFWSA-N 0 1 315.373 3.548 20 5 DHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cccc(F)c1F ZINC001173230229 1033605676 /nfs/dbraw/zinc/60/56/76/1033605676.db2.gz CZYFXCGWEDAGKA-GFCCVEGCSA-N 0 1 320.339 3.936 20 5 DHBDMN CCc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000553233948 1033636691 /nfs/dbraw/zinc/63/66/91/1033636691.db2.gz NZFHJJPTKCHJMR-UHFFFAOYSA-N 0 1 320.732 3.769 20 5 DHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1c(F)cccc1Cl ZINC000553495795 1033710693 /nfs/dbraw/zinc/71/06/93/1033710693.db2.gz CAHOEAUVRCZYOY-SECBINFHSA-N 0 1 324.739 3.944 20 5 DHBDMN CCc1onc(C)c1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927134359 1034075697 /nfs/dbraw/zinc/07/56/97/1034075697.db2.gz IKENWXGPBVLOBR-MRXNPFEDSA-N 0 1 315.373 3.621 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@](C)(C(F)(F)F)C1 ZINC000879998809 1034172925 /nfs/dbraw/zinc/17/29/25/1034172925.db2.gz ASFFLFUNFADKJX-MFKMUULPSA-N 0 1 302.296 3.930 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](c3nccs3)C2)c1 ZINC000880317511 1034293368 /nfs/dbraw/zinc/29/33/68/1034293368.db2.gz OXRDTILVFRNLEC-JTQLQIEISA-N 0 1 323.805 3.694 20 5 DHBDMN Cc1nn(C)cc1Nc1ccc2cc3ccc(N)cc3nc2c1 ZINC001174337095 1034297197 /nfs/dbraw/zinc/29/71/97/1034297197.db2.gz NPDUYPVOWGGVAE-UHFFFAOYSA-N 0 1 303.369 3.756 20 5 DHBDMN O=C([O-])c1ccc(Nc2ccc3c[nH+]ccc3c2)cc1[N+](=O)[O-] ZINC001174504103 1034462184 /nfs/dbraw/zinc/46/21/84/1034462184.db2.gz DRGCTCKZPQIYJB-UHFFFAOYSA-N 0 1 309.281 3.585 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000184297597 1034462908 /nfs/dbraw/zinc/46/29/08/1034462908.db2.gz SLBRSCGUCGWPGR-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN CCOc1cc(F)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000865418382 1034635896 /nfs/dbraw/zinc/63/58/96/1034635896.db2.gz JITJLWSWFZPJOP-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1ccc(F)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000187588600 1034717604 /nfs/dbraw/zinc/71/76/04/1034717604.db2.gz XNADRSPYZRMUCU-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CCc1ccc(C(=O)Nc2cc3cn[nH]c3cc2C)cc1[N+](=O)[O-] ZINC000481325850 1034751565 /nfs/dbraw/zinc/75/15/65/1034751565.db2.gz VYBGZRNTFDDCIP-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2c(O)cccc2C1 ZINC000600209165 1034816847 /nfs/dbraw/zinc/81/68/47/1034816847.db2.gz XVBKQCQJTLWANJ-GXDHUFHOSA-N 0 1 324.380 3.762 20 5 DHBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000193278329 1034839874 /nfs/dbraw/zinc/83/98/74/1034839874.db2.gz JGENDRYGVKHKBR-MRXNPFEDSA-N 0 1 320.776 3.726 20 5 DHBDMN C[C@@H](CN(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC001175984643 1035174420 /nfs/dbraw/zinc/17/44/20/1035174420.db2.gz WTNJTRNCSBPBFW-NSHDSACASA-N 0 1 309.366 3.617 20 5 DHBDMN C[C@H](NCc1cc2ccccc2[nH]c1=O)c1ccc([N+](=O)[O-])cc1 ZINC001176037416 1035188785 /nfs/dbraw/zinc/18/87/85/1035188785.db2.gz TWBUTPKVOPNTSY-LBPRGKRZSA-N 0 1 323.352 3.699 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000483115569 1035228687 /nfs/dbraw/zinc/22/86/87/1035228687.db2.gz YMMNMHAYUIIOIS-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN CC(C)(C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000483242731 1035243623 /nfs/dbraw/zinc/24/36/23/1035243623.db2.gz CFWRHEAMLCUVPJ-LBPRGKRZSA-N 0 1 316.405 3.729 20 5 DHBDMN CCCCCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001177081788 1035345716 /nfs/dbraw/zinc/34/57/16/1035345716.db2.gz OYQVRSAVFITPBO-UHFFFAOYSA-N 0 1 301.184 3.637 20 5 DHBDMN CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001192939703 1035523498 /nfs/dbraw/zinc/52/34/98/1035523498.db2.gz QEWADNFWHOGSNI-UHFFFAOYSA-N 0 1 312.369 3.594 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000494705579 1035771279 /nfs/dbraw/zinc/77/12/79/1035771279.db2.gz XKWCTTWERMYXRU-SUMWQHHRSA-N 0 1 304.390 3.547 20 5 DHBDMN COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485710405 1035884903 /nfs/dbraw/zinc/88/49/03/1035884903.db2.gz RHVBWXFFOVSFKM-LBPRGKRZSA-N 0 1 318.348 3.936 20 5 DHBDMN COc1cc(CN(C)[C@@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485710405 1035884919 /nfs/dbraw/zinc/88/49/19/1035884919.db2.gz RHVBWXFFOVSFKM-LBPRGKRZSA-N 0 1 318.348 3.936 20 5 DHBDMN COc1cc(CN(C)[C@@H](C)c2cccs2)ccc1[N+](=O)[O-] ZINC000485741572 1035929582 /nfs/dbraw/zinc/92/95/82/1035929582.db2.gz CQNHWZRLTZZNGI-NSHDSACASA-N 0 1 306.387 3.858 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCc1ccccc1O ZINC000541387333 1036318326 /nfs/dbraw/zinc/31/83/26/1036318326.db2.gz MBWYGERQTAMTPU-CYBMUJFWSA-N 0 1 300.358 3.536 20 5 DHBDMN CCOc1cc(CN2CCC(CCF)CC2)ccc1[N+](=O)[O-] ZINC001196759548 1036600319 /nfs/dbraw/zinc/60/03/19/1036600319.db2.gz QIGRMQHRDRSYLP-UHFFFAOYSA-N 0 1 310.369 3.565 20 5 DHBDMN CCOc1cc(C[N@@H+](C)[C@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000492534854 1036910387 /nfs/dbraw/zinc/91/03/87/1036910387.db2.gz KQNLOTLUMCGVMP-GFCCVEGCSA-N 0 1 312.435 3.567 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCSC[C@@H]1C ZINC001198518330 1037057546 /nfs/dbraw/zinc/05/75/46/1037057546.db2.gz YFWVWUNNWIIZCN-ZDUSSCGKSA-N 0 1 324.446 3.709 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC[C@]2(CCCOC2)C1 ZINC000493108260 1037180126 /nfs/dbraw/zinc/18/01/26/1037180126.db2.gz VDSKHGMNOSNCCT-INIZCTEOSA-N 0 1 324.808 3.641 20 5 DHBDMN CSC[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076769268 1037234213 /nfs/dbraw/zinc/23/42/13/1037234213.db2.gz PGOMRYRCZGQQGJ-JTQLQIEISA-N 0 1 323.443 3.559 20 5 DHBDMN CN1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC001186367491 1037374744 /nfs/dbraw/zinc/37/47/44/1037374744.db2.gz CLWYZVHKLCFVCP-CQSZACIVSA-N 0 1 311.813 3.781 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1ccc2c(c1)CCO2 ZINC001189511970 1038162968 /nfs/dbraw/zinc/16/29/68/1038162968.db2.gz CGQFUFGEWOLCFQ-UHFFFAOYSA-N 0 1 303.339 3.528 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CCCC13CCOCC3)C2 ZINC001191350304 1038488045 /nfs/dbraw/zinc/48/80/45/1038488045.db2.gz JKQOXWOOMQHUGH-INIZCTEOSA-N 0 1 316.401 3.507 20 5 DHBDMN CC[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001191560030 1038521167 /nfs/dbraw/zinc/52/11/67/1038521167.db2.gz VIXJJSZSIVRTPS-SNVBAGLBSA-N 0 1 313.195 3.589 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CCOC3(C2)CCCCCC3)cc1 ZINC001191549599 1038520534 /nfs/dbraw/zinc/52/05/34/1038520534.db2.gz FGIYIEPVBCTKGE-UHFFFAOYSA-N 0 1 318.417 3.563 20 5 DHBDMN O=[N+]([O-])c1ncccc1Sc1nc2ccc(Cl)cc2[nH]1 ZINC000603838683 1039171555 /nfs/dbraw/zinc/17/15/55/1039171555.db2.gz FUBQWKYNCVMUOR-UHFFFAOYSA-N 0 1 306.734 3.671 20 5 DHBDMN COc1ccccc1[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489970 1039793995 /nfs/dbraw/zinc/79/39/95/1039793995.db2.gz IITRKPDVHWCYPI-MLGOLLRUSA-N 0 1 312.369 3.942 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CNCC3=CCCC3)cs2)c1 ZINC000594988744 1040003503 /nfs/dbraw/zinc/00/35/03/1040003503.db2.gz CZOWMQXSQUQSTI-UHFFFAOYSA-N 0 1 315.398 3.918 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)CC(F)(F)F ZINC000595032662 1040038704 /nfs/dbraw/zinc/03/87/04/1040038704.db2.gz KMPMJXIZRKBTOV-BDAKNGLRSA-N 0 1 306.284 3.595 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089270 1040076422 /nfs/dbraw/zinc/07/64/22/1040076422.db2.gz NBUPKCFQPFXZCD-OALUTQOASA-N 0 1 324.380 3.955 20 5 DHBDMN Cc1noc(CN2CCCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595457728 1040145015 /nfs/dbraw/zinc/14/50/15/1040145015.db2.gz ZXPSTZFULRMOEV-UHFFFAOYSA-N 0 1 307.394 3.828 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](c2ccccn2)C1 ZINC000595503143 1040155958 /nfs/dbraw/zinc/15/59/58/1040155958.db2.gz QRQYICPOQJHSQY-ZDUSSCGKSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595787652 1040253312 /nfs/dbraw/zinc/25/33/12/1040253312.db2.gz FQSRPGYBVJXGIT-CXAGYDPISA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595787655 1040253982 /nfs/dbraw/zinc/25/39/82/1040253982.db2.gz FQSRPGYBVJXGIT-SUMWQHHRSA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000595786550 1040257108 /nfs/dbraw/zinc/25/71/08/1040257108.db2.gz BHMJGLKLXITJGW-RHSMWYFYSA-N 0 1 322.380 3.515 20 5 DHBDMN CC1(C)C[C@@]1([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000595907581 1040273422 /nfs/dbraw/zinc/27/34/22/1040273422.db2.gz BDCRCWCPBHJMHH-GOSISDBHSA-N 0 1 312.369 3.715 20 5 DHBDMN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1cccnc1 ZINC000596593780 1040506416 /nfs/dbraw/zinc/50/64/16/1040506416.db2.gz RRPWFZPZHMUHRT-KRWDZBQOSA-N 0 1 311.385 3.615 20 5 DHBDMN Cc1ccccc1[C@H](CC(C)C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602803762 1041226022 /nfs/dbraw/zinc/22/60/22/1041226022.db2.gz DJMIORPZPUZFRJ-INIZCTEOSA-N 0 1 316.405 3.514 20 5 DHBDMN Cc1ccccc1[C@H](NCc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602807479 1041229150 /nfs/dbraw/zinc/22/91/50/1041229150.db2.gz UYHFJMAKKKZSOV-HNNXBMFYSA-N 0 1 316.405 3.514 20 5 DHBDMN CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000569372534 332066210 /nfs/dbraw/zinc/06/62/10/332066210.db2.gz URQPYBOZFPBTJZ-OAHLLOKOSA-N 0 1 318.398 3.945 20 5 DHBDMN Cc1c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000180437167 333028576 /nfs/dbraw/zinc/02/85/76/333028576.db2.gz OCKBKSHCHQYCCJ-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCc2cccnc21 ZINC000365003394 333334270 /nfs/dbraw/zinc/33/42/70/333334270.db2.gz WOJOZSPICIMQSZ-QGZVFWFLSA-N 0 1 311.385 3.889 20 5 DHBDMN CCCOc1ccc(CNCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000188794198 333372317 /nfs/dbraw/zinc/37/23/17/333372317.db2.gz WFMSBACNEMLYIT-UHFFFAOYSA-N 0 1 314.385 3.982 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C)CCSC ZINC000353832217 335155186 /nfs/dbraw/zinc/15/51/86/335155186.db2.gz XBAODHWOSMDTMX-LBPRGKRZSA-N 0 1 312.435 3.567 20 5 DHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccnn1-c1ccccc1 ZINC000343491221 335169172 /nfs/dbraw/zinc/16/91/72/335169172.db2.gz OQQCMOYSHRZFAU-AWEZNQCLSA-N 0 1 322.368 3.631 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C)c1ccc(C)cc1 ZINC000430225914 334002667 /nfs/dbraw/zinc/00/26/67/334002667.db2.gz ZLWHCXNGUGSNOT-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CC(C)C[C@H](N)c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414612636 334040975 /nfs/dbraw/zinc/04/09/75/334040975.db2.gz DTDVQUGTKQMTGN-ZDUSSCGKSA-N 0 1 318.377 3.814 20 5 DHBDMN CCn1nc(C)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1C ZINC000531964910 334319360 /nfs/dbraw/zinc/31/93/60/334319360.db2.gz JCLRPRBHIIAHPN-LBPRGKRZSA-N 0 1 316.405 3.587 20 5 DHBDMN CSCC[C@@H](C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126510975 334379659 /nfs/dbraw/zinc/37/96/59/334379659.db2.gz MTEARURSQYNRER-SNVBAGLBSA-N 0 1 302.827 3.822 20 5 DHBDMN CC1(C)C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000343633367 335183380 /nfs/dbraw/zinc/18/33/80/335183380.db2.gz DYGIMVJWAMMCHE-CYBMUJFWSA-N 0 1 303.387 3.606 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(c3ccncc3)CC2)cc1F ZINC000366978257 335472496 /nfs/dbraw/zinc/47/24/96/335472496.db2.gz XXVGJTGDDRVYPJ-UHFFFAOYSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ncsc1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000331970601 336154723 /nfs/dbraw/zinc/15/47/23/336154723.db2.gz RBHBBUGVSRSBQG-CQSZACIVSA-N 0 1 303.387 3.527 20 5 DHBDMN CCSCC[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780897 336236023 /nfs/dbraw/zinc/23/60/23/336236023.db2.gz WIGKLTUBNLKJNI-LBPRGKRZSA-N 0 1 312.435 3.567 20 5 DHBDMN CN(C)Cc1cc(CNc2ccc(F)cc2[N+](=O)[O-])ccc1F ZINC000301295816 336299416 /nfs/dbraw/zinc/29/94/16/336299416.db2.gz OZWMUSJAOWNZAA-UHFFFAOYSA-N 0 1 321.327 3.547 20 5 DHBDMN Cc1cc(NC[C@@H](c2ccco2)N(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301439779 336306920 /nfs/dbraw/zinc/30/69/20/336306920.db2.gz LWCXOLSNIRBXCI-AWEZNQCLSA-N 0 1 323.780 3.864 20 5 DHBDMN Cc1cc(NCCc2nc3ccc(F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000301724702 336325810 /nfs/dbraw/zinc/32/58/10/336325810.db2.gz PAMADTWSESSBRA-UHFFFAOYSA-N 0 1 314.320 3.573 20 5 DHBDMN CC[C@H](C)[C@@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302186010 336353041 /nfs/dbraw/zinc/35/30/41/336353041.db2.gz PGYFXIPXPOMTCL-GTNSWQLSSA-N 0 1 317.389 3.660 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353631985 336430334 /nfs/dbraw/zinc/43/03/34/336430334.db2.gz RDIDSXANCFLXEI-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN CCC[C@@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356224248 336541704 /nfs/dbraw/zinc/54/17/04/336541704.db2.gz PMIIJLXVYCMXTM-MRXNPFEDSA-N 0 1 314.341 3.572 20 5 DHBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357989014 336605154 /nfs/dbraw/zinc/60/51/54/336605154.db2.gz GFTDWNOXGXCSLD-ZBEGNZNMSA-N 0 1 316.405 3.747 20 5 DHBDMN CCS[C@H]1CC[C@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349402 337140940 /nfs/dbraw/zinc/14/09/40/337140940.db2.gz JKLRWVBRFQKMLR-RYUDHWBXSA-N 0 1 300.449 3.762 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CSC)C1 ZINC000429295689 337271878 /nfs/dbraw/zinc/27/18/78/337271878.db2.gz QQMPFVPPSCYJDD-CYBMUJFWSA-N 0 1 324.446 3.569 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000191660684 337298466 /nfs/dbraw/zinc/29/84/66/337298466.db2.gz NLTOLJNTHTVXNM-QGZVFWFLSA-N 0 1 312.369 3.776 20 5 DHBDMN C[C@H](N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000532928543 337393352 /nfs/dbraw/zinc/39/33/52/337393352.db2.gz NJPISLIOQGEAJW-NSHDSACASA-N 0 1 318.377 3.511 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCc2ccccc21 ZINC000430213980 338101794 /nfs/dbraw/zinc/10/17/94/338101794.db2.gz DHLNJTUDFZVWNM-QGZVFWFLSA-N 0 1 312.369 3.723 20 5 DHBDMN CCC1(C)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434853610 338226452 /nfs/dbraw/zinc/22/64/52/338226452.db2.gz QIGIBIUBXFTGAM-UHFFFAOYSA-N 0 1 303.362 3.748 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nc2ccccc2o1 ZINC000436475274 338273504 /nfs/dbraw/zinc/27/35/04/338273504.db2.gz UBNWJFWWVLBKMM-UHFFFAOYSA-N 0 1 302.311 3.734 20 5 DHBDMN COc1cc(CNC(C)(C)c2cccs2)c([N+](=O)[O-])cc1F ZINC000464481323 339143085 /nfs/dbraw/zinc/14/30/85/339143085.db2.gz ORRYYVVRFWUFOC-UHFFFAOYSA-N 0 1 324.377 3.829 20 5 DHBDMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000471049524 339335872 /nfs/dbraw/zinc/33/58/72/339335872.db2.gz ZMAYKIHXMHJEGL-KBXCAEBGSA-N 0 1 312.369 3.667 20 5 DHBDMN CC(C)(NCc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000487332883 339751643 /nfs/dbraw/zinc/75/16/43/339751643.db2.gz KZRMVYWKMSNZPV-UHFFFAOYSA-N 0 1 317.414 3.954 20 5 DHBDMN Cc1ccc(CN(C)CCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000506148367 340186843 /nfs/dbraw/zinc/18/68/43/340186843.db2.gz PUULUAVCTVUUDW-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc3c(c2)CCO3)C2CC2)c1 ZINC000507157272 340209929 /nfs/dbraw/zinc/20/99/29/340209929.db2.gz WKRIAUQZIOYKRJ-UHFFFAOYSA-N 0 1 324.380 3.694 20 5 DHBDMN Cc1ccc([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000543246193 341037878 /nfs/dbraw/zinc/03/78/78/341037878.db2.gz OKGWJKZIQCKPNA-OAHLLOKOSA-N 0 1 302.399 3.954 20 5 DHBDMN O=[N+]([O-])c1cc(O)cc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000548270080 341253611 /nfs/dbraw/zinc/25/36/11/341253611.db2.gz IXIHZBPAPKZFDQ-UHFFFAOYSA-N 0 1 317.688 3.671 20 5 DHBDMN CC(C)c1ccc(CN2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000552442641 341394014 /nfs/dbraw/zinc/39/40/14/341394014.db2.gz HIVYPZQPYLWVFN-SFHVURJKSA-N 0 1 320.433 3.965 20 5 DHBDMN CC(C)c1ccc(CN2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000552442640 341394124 /nfs/dbraw/zinc/39/41/24/341394124.db2.gz HIVYPZQPYLWVFN-GOSISDBHSA-N 0 1 320.433 3.965 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCc2c1cccc2O ZINC000567061509 341577542 /nfs/dbraw/zinc/57/75/42/341577542.db2.gz YQUIUIPZWKCHHF-CVEARBPZSA-N 0 1 310.353 3.565 20 5 DHBDMN Cc1cccc(C[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000339207785 524374657 /nfs/dbraw/zinc/37/46/57/524374657.db2.gz GGYYNYTZWFJKOF-UHFFFAOYSA-N 0 1 300.358 3.549 20 5 DHBDMN Cc1cccc(C[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000339207785 524374663 /nfs/dbraw/zinc/37/46/63/524374663.db2.gz GGYYNYTZWFJKOF-UHFFFAOYSA-N 0 1 300.358 3.549 20 5 DHBDMN C[C@@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718620 525647926 /nfs/dbraw/zinc/64/79/26/525647926.db2.gz BFAXQPAGOLXVQC-BDJLRTHQSA-N 0 1 316.332 3.908 20 5 DHBDMN Cc1c([C@@H](C)N[C@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130439257 525906080 /nfs/dbraw/zinc/90/60/80/525906080.db2.gz VWJRJYPSRIMLME-WBMJQRKESA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCc2c1cccc2O ZINC000130435628 526090200 /nfs/dbraw/zinc/09/02/00/526090200.db2.gz AGULOJPKLMVQON-YVEFUNNKSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1ncsc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154466274 1013101781 /nfs/dbraw/zinc/10/17/81/1013101781.db2.gz CMIVXIZLRAEGFE-UHFFFAOYSA-N 0 1 305.403 3.770 20 5 DHBDMN CCc1ccc(C(=O)Nc2ccc3c(C)[nH]nc3c2)cc1[N+](=O)[O-] ZINC000091825424 1014183486 /nfs/dbraw/zinc/18/34/86/1014183486.db2.gz JBABSYUBKAVIPL-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN O=C([O-])c1ccc([N+](=O)[O-])c(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000593735465 974984542 /nfs/dbraw/zinc/98/45/42/974984542.db2.gz OLEKJKDXEJSLEX-UHFFFAOYSA-N 0 1 318.373 3.590 20 5 DHBDMN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000275946443 1014330650 /nfs/dbraw/zinc/33/06/50/1014330650.db2.gz ZXBUZYSWLLTBRC-HNNXBMFYSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1cccc([C@@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1C ZINC001167465599 1014902574 /nfs/dbraw/zinc/90/25/74/1014902574.db2.gz YMLJZTMQYQTESV-KRWDZBQOSA-N 0 1 311.385 3.944 20 5 DHBDMN CC[C@@H](c1ccncc1)N(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276291990 1014917551 /nfs/dbraw/zinc/91/75/51/1014917551.db2.gz HZPQSXDVKWOIJJ-HNNXBMFYSA-N 0 1 303.337 3.712 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000051129847 1015102345 /nfs/dbraw/zinc/10/23/45/1015102345.db2.gz CCYQQAIWQMXHGV-LBPRGKRZSA-N 0 1 318.348 3.936 20 5 DHBDMN C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599833922 988714400 /nfs/dbraw/zinc/71/44/00/988714400.db2.gz XRGWSKSHYGBJHB-LBPRGKRZSA-N 0 1 320.389 3.694 20 5 DHBDMN C[C@H](CNc1ccccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000025500381 1015442647 /nfs/dbraw/zinc/44/26/47/1015442647.db2.gz QNTYWUVCLVSLDW-GFCCVEGCSA-N 0 1 317.414 3.515 20 5 DHBDMN CC(C)(C)OCCCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000610995240 1015574042 /nfs/dbraw/zinc/57/40/42/1015574042.db2.gz SYSOGHYAMRVPDZ-UHFFFAOYSA-N 0 1 306.406 3.764 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000277335871 1016219826 /nfs/dbraw/zinc/21/98/26/1016219826.db2.gz UTEJAFNKVODVBG-QJPTWQEYSA-N 0 1 317.393 3.638 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000277335885 1016220352 /nfs/dbraw/zinc/22/03/52/1016220352.db2.gz UTEJAFNKVODVBG-TUAOUCFPSA-N 0 1 317.393 3.638 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccncc3)C2)ccc1Cl ZINC000846908855 1032145113 /nfs/dbraw/zinc/14/51/13/1032145113.db2.gz WTTCGMXLSWSTNJ-CQSZACIVSA-N 0 1 317.776 3.633 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000071959567 1016284958 /nfs/dbraw/zinc/28/49/58/1016284958.db2.gz NADSPHGFCYKJJH-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN COc1cc2c(cc1F)CC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000281473610 1016532975 /nfs/dbraw/zinc/53/29/75/1016532975.db2.gz FJTJYOPCBIUVMW-MRXNPFEDSA-N 0 1 316.332 3.520 20 5 DHBDMN CCc1nc(C)c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513215 1032155547 /nfs/dbraw/zinc/15/55/47/1032155547.db2.gz JWBYITYVWRBXRY-JTQLQIEISA-N 0 1 305.403 3.773 20 5 DHBDMN Cc1ccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000772993469 1032426835 /nfs/dbraw/zinc/42/68/35/1032426835.db2.gz USBMCOVMWRJICD-UHFFFAOYSA-N 0 1 320.732 3.539 20 5 DHBDMN C[C@@H]1CSCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000537636778 1032466552 /nfs/dbraw/zinc/46/65/52/1032466552.db2.gz VAUUSEBHGWGYDU-GFCCVEGCSA-N 0 1 318.398 3.792 20 5 DHBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCSc3ccccc32)c1 ZINC000034996512 1011956744 /nfs/dbraw/zinc/95/67/44/1011956744.db2.gz MQZXNGUENHOMBZ-OAHLLOKOSA-N 0 1 300.383 3.922 20 5 DHBDMN Cc1c([C@@H](C)Nc2cnn(-c3ccncc3)c2)cccc1[N+](=O)[O-] ZINC000611480882 1017217000 /nfs/dbraw/zinc/21/70/00/1017217000.db2.gz NPRXAQPJHNKVHL-CYBMUJFWSA-N 0 1 323.356 3.657 20 5 DHBDMN COc1ccc(CNCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000021043548 1017573864 /nfs/dbraw/zinc/57/38/64/1017573864.db2.gz AYUCQWZKHWMUIW-UHFFFAOYSA-N 0 1 306.749 3.547 20 5 DHBDMN COc1cc(CN2CCC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000444769775 1017667046 /nfs/dbraw/zinc/66/70/46/1017667046.db2.gz JNFGTNPWPCJELP-LBPRGKRZSA-N 0 1 310.369 3.611 20 5 DHBDMN C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000524426361 1017992035 /nfs/dbraw/zinc/99/20/35/1017992035.db2.gz NXZDMTNJNJHSLQ-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000524426361 1017992040 /nfs/dbraw/zinc/99/20/40/1017992040.db2.gz NXZDMTNJNJHSLQ-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H](CC(F)(F)F)C1 ZINC000278116446 1018155614 /nfs/dbraw/zinc/15/56/14/1018155614.db2.gz ANFQAIBVOWXCJX-OGOUPESXSA-N 0 1 314.307 3.882 20 5 DHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000428452092 1018242856 /nfs/dbraw/zinc/24/28/56/1018242856.db2.gz JDEOBPAFFYHDKW-ZWNOBZJWSA-N 0 1 312.316 3.571 20 5 DHBDMN O=[N+]([O-])c1ccc(CC[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000052306332 1018399653 /nfs/dbraw/zinc/39/96/53/1018399653.db2.gz CYNHBIZJDWAKGY-UHFFFAOYSA-N 0 1 324.380 3.632 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000573153061 1019029412 /nfs/dbraw/zinc/02/94/12/1019029412.db2.gz QHXJWTOJILBZOQ-UHFFFAOYSA-N 0 1 318.348 3.683 20 5 DHBDMN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968036 1019232925 /nfs/dbraw/zinc/23/29/25/1019232925.db2.gz VZQPBLZYPLECRF-QWHCGFSZSA-N 0 1 312.369 3.769 20 5 DHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922620718 1020164442 /nfs/dbraw/zinc/16/44/42/1020164442.db2.gz XARYCWVXEKPYQW-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1OC ZINC000922620687 1020165074 /nfs/dbraw/zinc/16/50/74/1020165074.db2.gz WNQGEIHQVDKTHN-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN CC[C@H](C)CN(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000732183877 1020208864 /nfs/dbraw/zinc/20/88/64/1020208864.db2.gz ULQGZLZBJFLXHX-JTQLQIEISA-N 0 1 309.391 3.807 20 5 DHBDMN CCS[C@H]1CCCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732571786 1020253534 /nfs/dbraw/zinc/25/35/34/1020253534.db2.gz YXAVZQPJXUSABR-AWEZNQCLSA-N 0 1 312.410 3.842 20 5 DHBDMN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC1 ZINC000125625370 1020334256 /nfs/dbraw/zinc/33/42/56/1020334256.db2.gz AQCZNPARVCELBV-UHFFFAOYSA-N 0 1 317.414 3.950 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC=C(c2cccnc2)CC1 ZINC000365388480 1020624219 /nfs/dbraw/zinc/62/42/19/1020624219.db2.gz HGIOWYLPXZZERG-CQSZACIVSA-N 0 1 309.369 3.840 20 5 DHBDMN CO[C@](C)([C@H](C)NCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963928 1020638818 /nfs/dbraw/zinc/63/88/18/1020638818.db2.gz CRLUZZRGHVPHDF-ZUZCIYMTSA-N 0 1 312.797 3.541 20 5 DHBDMN CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1F ZINC000739273952 1020901593 /nfs/dbraw/zinc/90/15/93/1020901593.db2.gz PIYAKCZYNDZEBA-GFCCVEGCSA-N 0 1 310.256 3.509 20 5 DHBDMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020852 1032977463 /nfs/dbraw/zinc/97/74/63/1032977463.db2.gz JBUNVTTXZZDLNS-WFASDCNBSA-N 0 1 320.414 3.657 20 5 DHBDMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020850 1032979645 /nfs/dbraw/zinc/97/96/45/1032979645.db2.gz JBUNVTTXZZDLNS-IUODEOHRSA-N 0 1 320.414 3.657 20 5 DHBDMN CC[C@H](COCC1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000850350855 1021483455 /nfs/dbraw/zinc/48/34/55/1021483455.db2.gz VKUAHTGXJQVHCQ-CYBMUJFWSA-N 0 1 312.797 3.543 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@H](O)c3ccccc31)CCC2 ZINC000850527178 1021580562 /nfs/dbraw/zinc/58/05/62/1021580562.db2.gz UTLRVPSRPLNIDE-QYZOEREBSA-N 0 1 324.380 3.740 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2ccsc2)ccc1[N+](=O)[O-] ZINC000619782635 1021897349 /nfs/dbraw/zinc/89/73/49/1021897349.db2.gz HGSDMEYHBUAJFT-NSHDSACASA-N 0 1 306.387 3.906 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183229065 1022040939 /nfs/dbraw/zinc/04/09/39/1022040939.db2.gz DDWZMHDRADFLHZ-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC=C(c2ccc(O)cc2)CC1 ZINC000183245454 1022056252 /nfs/dbraw/zinc/05/62/52/1022056252.db2.gz XOLSADIXIMZYKF-UHFFFAOYSA-N 0 1 324.380 3.898 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1F ZINC000852594139 1022145017 /nfs/dbraw/zinc/14/50/17/1022145017.db2.gz AASVSGBRFSWOGE-PBHICJAKSA-N 0 1 322.380 3.515 20 5 DHBDMN CCOc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000173398057 1033044449 /nfs/dbraw/zinc/04/44/49/1033044449.db2.gz HGXANOAGGNVHMV-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1ccc(CN[C@@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000609805239 1022356724 /nfs/dbraw/zinc/35/67/24/1022356724.db2.gz YLIWGRIMUSHEFT-CQSZACIVSA-N 0 1 300.383 3.840 20 5 DHBDMN COc1ccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1Cl ZINC000728775379 1022741757 /nfs/dbraw/zinc/74/17/57/1022741757.db2.gz FSUYSCOGSOTKHR-QMMMGPOBSA-N 0 1 324.720 3.503 20 5 DHBDMN COc1c(C)cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000110296438 1022937135 /nfs/dbraw/zinc/93/71/35/1022937135.db2.gz MWHMCYCAEJILRI-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN COc1c(C)cc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000110296438 1022937143 /nfs/dbraw/zinc/93/71/43/1022937143.db2.gz MWHMCYCAEJILRI-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000769795512 1023215286 /nfs/dbraw/zinc/21/52/86/1023215286.db2.gz KVBHXOBAQALPDN-SNVBAGLBSA-N 0 1 316.386 3.692 20 5 DHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000770398741 1023305809 /nfs/dbraw/zinc/30/58/09/1023305809.db2.gz SZKHZNCGYAVQPI-UHFFFAOYSA-N 0 1 322.320 3.730 20 5 DHBDMN Cc1ccc(CN(C)CCOCc2ccccc2)cc1[N+](=O)[O-] ZINC000538808953 1033195521 /nfs/dbraw/zinc/19/55/21/1033195521.db2.gz CESXQFGDFOHVQR-UHFFFAOYSA-N 0 1 314.385 3.552 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)C(C)(C)c1ccccc1 ZINC000585754270 1024594311 /nfs/dbraw/zinc/59/43/11/1024594311.db2.gz CRFJRBSKSQQQOA-UHFFFAOYSA-N 0 1 314.385 3.971 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1cccnc1 ZINC000348931364 1024651126 /nfs/dbraw/zinc/65/11/26/1024651126.db2.gz AWHSAAVBERRQFX-LYLYKKCESA-N 0 1 309.369 3.840 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1cccs1)C1CC1 ZINC000349920302 1024768611 /nfs/dbraw/zinc/76/86/11/1024768611.db2.gz HRYKKFZADLPBKQ-UHFFFAOYSA-N 0 1 304.371 3.527 20 5 DHBDMN Cc1csc(C(C)(C)NC/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000116382785 1024858174 /nfs/dbraw/zinc/85/81/74/1024858174.db2.gz QFKVLIKGHMCKAG-SOFGYWHQSA-N 0 1 317.414 3.898 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc3cc[nH]c31)CC2 ZINC000353591857 1025139716 /nfs/dbraw/zinc/13/97/16/1025139716.db2.gz YSZODTUVBREYPB-UHFFFAOYSA-N 0 1 307.353 3.634 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCCc3ccc(F)cc32)cs1 ZINC000279769670 1025231184 /nfs/dbraw/zinc/23/11/84/1025231184.db2.gz KCNLXHMAPIXKTQ-CQSZACIVSA-N 0 1 306.362 3.963 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1Nc1cnn(-c2ccncc2)c1 ZINC000804423064 1025289022 /nfs/dbraw/zinc/28/90/22/1025289022.db2.gz FNHLYYHZUNJWOI-UHFFFAOYSA-N 0 1 315.720 3.573 20 5 DHBDMN COc1ccc([C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015300584 1025373888 /nfs/dbraw/zinc/37/38/88/1025373888.db2.gz CLNLWJMNBAZNEX-QGZVFWFLSA-N 0 1 312.369 3.941 20 5 DHBDMN C[C@H](Cc1ccc(Cl)cc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000886014617 1025438638 /nfs/dbraw/zinc/43/86/38/1025438638.db2.gz LUOLCDDZUXDLHV-GFCCVEGCSA-N 0 1 319.792 3.706 20 5 DHBDMN CCCC[C@H](C)[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572685004 1025464074 /nfs/dbraw/zinc/46/40/74/1025464074.db2.gz AVYDKOVDDJFERG-LBPRGKRZSA-N 0 1 318.377 3.655 20 5 DHBDMN CCCC[C@H](C)N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000572685004 1025464079 /nfs/dbraw/zinc/46/40/79/1025464079.db2.gz AVYDKOVDDJFERG-LBPRGKRZSA-N 0 1 318.377 3.655 20 5 DHBDMN COc1c(Cl)cccc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000897483438 1025903960 /nfs/dbraw/zinc/90/39/60/1025903960.db2.gz PIAZLWRZZPDJAZ-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[C@H]1CCSC1 ZINC000809965933 1026647626 /nfs/dbraw/zinc/64/76/26/1026647626.db2.gz QCHGDGRHVFUMMU-JTQLQIEISA-N 0 1 321.229 3.839 20 5 DHBDMN CCN(Cc1csc([N+](=O)[O-])c1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852391 1027449967 /nfs/dbraw/zinc/44/99/67/1027449967.db2.gz FKFVOROCVMYRJH-WBMJQRKESA-N 0 1 320.414 3.600 20 5 DHBDMN CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852388 1027450023 /nfs/dbraw/zinc/45/00/23/1027450023.db2.gz FKFVOROCVMYRJH-BLLLJJGKSA-N 0 1 320.414 3.600 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ccncc3)C2)cc1F ZINC000296001360 1027515083 /nfs/dbraw/zinc/51/50/83/1027515083.db2.gz PUVGTIPZMGCORW-HNNXBMFYSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000577475087 1027782253 /nfs/dbraw/zinc/78/22/53/1027782253.db2.gz TUPIQPDPHIOAOF-SFHVURJKSA-N 0 1 311.385 3.856 20 5 DHBDMN Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000563419686 1028039741 /nfs/dbraw/zinc/03/97/41/1028039741.db2.gz XYHCXGAZDVIYJS-INIZCTEOSA-N 0 1 300.333 3.819 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccncc2)C2CC2)ccc1Cl ZINC000934695579 1028077217 /nfs/dbraw/zinc/07/72/17/1028077217.db2.gz PGBDMAFCFVEGIR-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN COCC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374406 1028396053 /nfs/dbraw/zinc/39/60/53/1028396053.db2.gz REDLTHJSMWIBDK-GJZGRUSLSA-N 0 1 316.357 3.543 20 5 DHBDMN C[C@H](N[C@@H]1CSc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815582049 1028553795 /nfs/dbraw/zinc/55/37/95/1028553795.db2.gz WPIHUBGUJXUEHD-IINYFYTJSA-N 0 1 315.398 3.675 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000565860960 1028645661 /nfs/dbraw/zinc/64/56/61/1028645661.db2.gz IJPXJAOXQHCCQJ-IBGZPJMESA-N 0 1 324.380 3.565 20 5 DHBDMN C[C@H]1CC2(CCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000373019692 1028936517 /nfs/dbraw/zinc/93/65/17/1028936517.db2.gz ORLNJQRBWUETDA-NSHDSACASA-N 0 1 301.346 3.501 20 5 DHBDMN CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000411131475 1029040401 /nfs/dbraw/zinc/04/04/01/1029040401.db2.gz JPZVTHQCKFDERB-DOTOQJQBSA-N 0 1 300.333 3.722 20 5 DHBDMN Cc1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc(C)n1 ZINC000817411895 1029152185 /nfs/dbraw/zinc/15/21/85/1029152185.db2.gz YPQQZNZHSBOLND-UHFFFAOYSA-N 0 1 305.765 3.550 20 5 DHBDMN C[C@H]1CC(C)(C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000412033163 1029297667 /nfs/dbraw/zinc/29/76/67/1029297667.db2.gz CMSQOYLNZNGMSL-LBPRGKRZSA-N 0 1 315.373 3.870 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)c2ccccc2C1 ZINC000374806656 1029463754 /nfs/dbraw/zinc/46/37/54/1029463754.db2.gz MUFCOEFAANMEKX-SCLBCKFNSA-N 0 1 312.369 3.595 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccc(F)cn3)C2)cc1 ZINC000451552096 1029911585 /nfs/dbraw/zinc/91/15/85/1029911585.db2.gz VLTQQOFISDBVBE-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccnc(F)c1)CCCC2 ZINC000866475376 1030312244 /nfs/dbraw/zinc/31/22/44/1030312244.db2.gz XOEVJJMMRVQJPK-MRXNPFEDSA-N 0 1 315.348 3.686 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000925315444 1030340739 /nfs/dbraw/zinc/34/07/39/1030340739.db2.gz XPVWALIVUSQXRF-OAHLLOKOSA-N 0 1 317.776 3.810 20 5 DHBDMN CCC[C@@H](N[C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612523 1030403306 /nfs/dbraw/zinc/40/33/06/1030403306.db2.gz KMOOODHYUZHYKP-SWLSCSKDSA-N 0 1 302.378 3.520 20 5 DHBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000291784100 1030642228 /nfs/dbraw/zinc/64/22/28/1030642228.db2.gz VGKHWWWORCRLHN-YMTOWFKASA-N 0 1 324.427 3.510 20 5 DHBDMN C[C@@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000291784093 1030642394 /nfs/dbraw/zinc/64/23/94/1030642394.db2.gz VGKHWWWORCRLHN-OTYXRUKQSA-N 0 1 324.427 3.510 20 5 DHBDMN C[C@H]1CC[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558465 1031030694 /nfs/dbraw/zinc/03/06/94/1031030694.db2.gz OJTVDFYGBXGOOS-YVEFUNNKSA-N 0 1 315.373 3.748 20 5 DHBDMN Cc1noc(C)c1C[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038674 1031421353 /nfs/dbraw/zinc/42/13/53/1031421353.db2.gz ORXZWRBDZCGDNC-KOLCDFICSA-N 0 1 321.352 3.621 20 5 DHBDMN C[C@@H](NC[C@H]1COc2ccccc21)c1c(F)cccc1[N+](=O)[O-] ZINC000872072642 1031469843 /nfs/dbraw/zinc/46/98/43/1031469843.db2.gz HZSWWWZVYZEFCI-NEPJUHHUSA-N 0 1 316.332 3.561 20 5 DHBDMN C[C@H](N[C@@H](C)[C@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073853 1031469961 /nfs/dbraw/zinc/46/99/61/1031469961.db2.gz WBUSXUHJYXSLCN-PRXAMGSTSA-N 0 1 318.348 3.507 20 5 DHBDMN CO[C@@](C)([C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080062 1031477272 /nfs/dbraw/zinc/47/72/72/1031477272.db2.gz SKIGOEITZGFNSC-USBNGQNGSA-N 0 1 310.369 3.588 20 5 DHBDMN CC[C@H](COCC1CC1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083481 1031479095 /nfs/dbraw/zinc/47/90/95/1031479095.db2.gz BMUTXYOIEAXVHE-DGCLKSJQSA-N 0 1 310.369 3.590 20 5 DHBDMN Cc1cnc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])c(C)c1 ZINC000872084108 1031480906 /nfs/dbraw/zinc/48/09/06/1031480906.db2.gz PIRSRWKRJUCKJI-CYBMUJFWSA-N 0 1 317.364 3.639 20 5 DHBDMN C[C@@H](NC[C@@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088476 1031486499 /nfs/dbraw/zinc/48/64/99/1031486499.db2.gz OYGBMTGQMFYCBB-LDYMZIIASA-N 0 1 302.296 3.676 20 5 DHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nccs1 ZINC001173233980 1033609173 /nfs/dbraw/zinc/60/91/73/1033609173.db2.gz NLKLRRSGGCZPCX-SWLSCSKDSA-N 0 1 317.414 3.819 20 5 DHBDMN Cc1cncc([C@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000879746614 1034106602 /nfs/dbraw/zinc/10/66/02/1034106602.db2.gz BSTGDZRDKUJMCO-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN Cc1cncc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000879746614 1034106609 /nfs/dbraw/zinc/10/66/09/1034106609.db2.gz BSTGDZRDKUJMCO-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CNC1(c2cccc(F)c2)CC1 ZINC000183480918 1034390518 /nfs/dbraw/zinc/39/05/18/1034390518.db2.gz ODZNLGCOIDFTOD-UHFFFAOYSA-N 0 1 300.333 3.821 20 5 DHBDMN CCn1cc(Nc2ccc3cc4ccc(N)cc4nc3c2)cn1 ZINC001174571780 1034486355 /nfs/dbraw/zinc/48/63/55/1034486355.db2.gz KXXLFTIONBPCGS-UHFFFAOYSA-N 0 1 303.369 3.930 20 5 DHBDMN C[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000600182363 1034794251 /nfs/dbraw/zinc/79/42/51/1034794251.db2.gz AYHUZLRCEVORHQ-WFMXKNRHSA-N 0 1 310.344 3.831 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC(Cc2cccs2)C1 ZINC000600215820 1034818558 /nfs/dbraw/zinc/81/85/58/1034818558.db2.gz OGHDZPMZXOCFCJ-UHFFFAOYSA-N 0 1 302.399 3.639 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccccc3F)C2)c(F)c1 ZINC000555582986 1034826900 /nfs/dbraw/zinc/82/69/00/1034826900.db2.gz KIJYUUBLXYIBPA-GFCCVEGCSA-N 0 1 318.323 3.863 20 5 DHBDMN COc1ccc(C)cc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080347266 1034849938 /nfs/dbraw/zinc/84/99/38/1034849938.db2.gz OKWOLLUSMUIVAO-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN Cc1ccc2nc(CN[C@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000483859213 1035305573 /nfs/dbraw/zinc/30/55/73/1035305573.db2.gz XKCCDPYRFCDRQF-CYBMUJFWSA-N 0 1 324.384 3.939 20 5 DHBDMN COc1cc(CN(C)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000485719870 1035901565 /nfs/dbraw/zinc/90/15/65/1035901565.db2.gz WPLMDJMZUFFEAI-ZDUSSCGKSA-N 0 1 300.358 3.796 20 5 DHBDMN Cc1ccsc1[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220542 1036018338 /nfs/dbraw/zinc/01/83/38/1036018338.db2.gz QDQNGCQZWZQZKA-OCCSQVGLSA-N 0 1 320.414 3.657 20 5 DHBDMN CCc1cc(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)n[nH]1 ZINC000774529936 1036419575 /nfs/dbraw/zinc/41/95/75/1036419575.db2.gz OFWCWQVRGKLWHE-UHFFFAOYSA-N 0 1 314.267 3.511 20 5 DHBDMN COc1cc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001197602140 1036816235 /nfs/dbraw/zinc/81/62/35/1036816235.db2.gz OCUOCRYDPQXIEE-LLVKDONJSA-N 0 1 312.385 3.857 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2scnc2C)cc1[N+](=O)[O-] ZINC000153627438 1036937327 /nfs/dbraw/zinc/93/73/27/1036937327.db2.gz JKGHCRGWIUCJRO-JTQLQIEISA-N 0 1 321.402 3.609 20 5 DHBDMN CCS[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490397654 1037703115 /nfs/dbraw/zinc/70/31/15/1037703115.db2.gz IUZBMXYUNNEFTG-CQSZACIVSA-N 0 1 312.410 3.842 20 5 DHBDMN Cc1nccc(NCc2ccc([N+](=O)[O-])c(Cl)c2)c1Cl ZINC000775176282 1037920384 /nfs/dbraw/zinc/92/03/84/1037920384.db2.gz NIBQTPUHCHPKFC-UHFFFAOYSA-N 0 1 312.156 3.639 20 5 DHBDMN CC[C@@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000571486340 1038146238 /nfs/dbraw/zinc/14/62/38/1038146238.db2.gz BEEABUGAZFBPJI-ROUUACIJSA-N 0 1 314.385 3.699 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000587975634 1038207622 /nfs/dbraw/zinc/20/76/22/1038207622.db2.gz ILMLCVSOPBNXKB-UHFFFAOYSA-N 0 1 320.711 3.876 20 5 DHBDMN O=[N+]([O-])c1ccc(NCCc2ccc3cn[nH]c3c2)c(Cl)c1 ZINC000588048405 1038214502 /nfs/dbraw/zinc/21/45/02/1038214502.db2.gz VNSWNFKEXDJMGY-UHFFFAOYSA-N 0 1 316.748 3.779 20 5 DHBDMN CCCN(Cc1cn(C)nc1[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC001190582074 1038351227 /nfs/dbraw/zinc/35/12/27/1038351227.db2.gz OIJWXVREOSOORV-INIZCTEOSA-N 0 1 316.405 3.692 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cs1 ZINC000589743973 1038535961 /nfs/dbraw/zinc/53/59/61/1038535961.db2.gz VKOWHAMJPSQMSM-KFWWJZLASA-N 0 1 324.446 3.562 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC4(CC(F)C4)C3)o2)c1 ZINC000590969343 1038733679 /nfs/dbraw/zinc/73/36/79/1038733679.db2.gz XLXJAVLGWRNUDH-UHFFFAOYSA-N 0 1 316.332 3.789 20 5 DHBDMN Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)CC2CC2)cn1 ZINC000592144472 1039137784 /nfs/dbraw/zinc/13/77/84/1039137784.db2.gz GHFMLNDUIVATSF-UHFFFAOYSA-N 0 1 311.385 3.710 20 5 DHBDMN COc1ccccc1C1(NC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000592374263 1039168645 /nfs/dbraw/zinc/16/86/45/1039168645.db2.gz IYUFMOTWKMYJJT-SOFGYWHQSA-N 0 1 324.380 3.896 20 5 DHBDMN C/C=C\C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599691853 1039261536 /nfs/dbraw/zinc/26/15/36/1039261536.db2.gz UAGJPOMHWDABDF-XQJDBVBESA-N 0 1 315.373 3.914 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495002 1039795879 /nfs/dbraw/zinc/79/58/79/1039795879.db2.gz JYQAXCUTEKTAKI-OTYXRUKQSA-N 0 1 301.346 3.538 20 5 DHBDMN COc1ccc(CNc2nccc(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000594742082 1039905137 /nfs/dbraw/zinc/90/51/37/1039905137.db2.gz JVWAQBFIYIAQJD-UHFFFAOYSA-N 0 1 313.357 3.796 20 5 DHBDMN CC[C@H](CC(F)(F)F)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031433 1040039383 /nfs/dbraw/zinc/03/93/83/1040039383.db2.gz GPVYHGUMRSWHSU-VHSXEESVSA-N 0 1 320.311 3.985 20 5 DHBDMN CC[C@H](CN(CC)Cc1onc(C)c1[N+](=O)[O-])c1ccccc1 ZINC000595448153 1040142182 /nfs/dbraw/zinc/14/21/82/1040142182.db2.gz JQIQTMKHPFREQC-CQSZACIVSA-N 0 1 317.389 3.907 20 5 DHBDMN CCC[C@H](N[C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321544 1040599442 /nfs/dbraw/zinc/59/94/42/1040599442.db2.gz SQGDNHJSIFUPTF-HOTGVXAUSA-N 0 1 314.389 3.757 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1c1ccccn1 ZINC000534331860 1040807419 /nfs/dbraw/zinc/80/74/19/1040807419.db2.gz AZGVTRZSXPUFEC-MOTZXUDYSA-N 0 1 309.369 3.840 20 5 DHBDMN Cc1cccc([C@@H](NCc2cn(C)nc2[N+](=O)[O-])C(C)(C)C)c1 ZINC000602805342 1041232190 /nfs/dbraw/zinc/23/21/90/1041232190.db2.gz KIBKRDJHADTVNL-OAHLLOKOSA-N 0 1 316.405 3.514 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC(c2ccc(F)cn2)CC1 ZINC000602904153 1041305290 /nfs/dbraw/zinc/30/52/90/1041305290.db2.gz MLEVBFJVBKQRGA-UHFFFAOYSA-N 0 1 315.348 3.509 20 5 DHBDMN CSC1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000602920970 1041316143 /nfs/dbraw/zinc/31/61/43/1041316143.db2.gz SOIZQARAJOILSQ-UHFFFAOYSA-N 0 1 324.446 3.709 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000602956917 1041327689 /nfs/dbraw/zinc/32/76/89/1041327689.db2.gz PKPJJPAFBWJJNE-JTQLQIEISA-N 0 1 321.402 3.609 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cncc(Cl)c2)cc1[N+](=O)[O-] ZINC000598603315 1041351855 /nfs/dbraw/zinc/35/18/55/1041351855.db2.gz ZMYHGXLDMLLFQQ-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN C[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000078973084 185137938 /nfs/dbraw/zinc/13/79/38/185137938.db2.gz AYDKWMKJUNGILI-RYUDHWBXSA-N 0 1 314.341 3.735 20 5 DHBDMN COc1ccccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079121342 185159764 /nfs/dbraw/zinc/15/97/64/185159764.db2.gz MGGMPNPATJCYOQ-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CC(C)n1cc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000297219895 132004580 /nfs/dbraw/zinc/00/45/80/132004580.db2.gz HEAMKEVRCSROAI-STQMWFEESA-N 0 1 302.378 3.784 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC[C@](F)(c3ccccc3)C2)cc1 ZINC000563861022 335068364 /nfs/dbraw/zinc/06/83/64/335068364.db2.gz BQVZNQQWVDOXOO-GOSISDBHSA-N 0 1 314.360 3.708 20 5 DHBDMN CC[C@H](C)n1nc(Nc2ncc(Cl)cc2[N+](=O)[O-])cc1C ZINC000539396592 435551269 /nfs/dbraw/zinc/55/12/69/435551269.db2.gz IAMVCWCZVDPMJX-QMMMGPOBSA-N 0 1 309.757 3.863 20 5 DHBDMN Cc1cc(Nc2ncc(Cl)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000543189537 435648558 /nfs/dbraw/zinc/64/85/58/435648558.db2.gz RTNILIAJWHJHNQ-SECBINFHSA-N 0 1 321.768 3.863 20 5 DHBDMN COc1cnccc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059247 332955222 /nfs/dbraw/zinc/95/52/22/332955222.db2.gz BWUDWJVOJOCZJA-OLZOCXBDSA-N 0 1 315.373 3.719 20 5 DHBDMN CC(C)(NCc1ccc2c(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000565290595 333051844 /nfs/dbraw/zinc/05/18/44/333051844.db2.gz LUILBHHXBXSJPA-UHFFFAOYSA-N 0 1 311.385 3.503 20 5 DHBDMN O=[N+]([O-])c1cc(CNCc2ccccc2)cc(C(F)(F)F)c1 ZINC000487184730 333116825 /nfs/dbraw/zinc/11/68/25/333116825.db2.gz HDDFWQOBLBGXIZ-UHFFFAOYSA-N 0 1 310.275 3.903 20 5 DHBDMN COC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985171 333171262 /nfs/dbraw/zinc/17/12/62/333171262.db2.gz VKKKRORJFRBCAI-PXAZEXFGSA-N 0 1 318.348 3.772 20 5 DHBDMN CC(C)n1cc([C@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531717333 333550353 /nfs/dbraw/zinc/55/03/53/333550353.db2.gz HEAMKEVRCSROAI-OLZOCXBDSA-N 0 1 302.378 3.784 20 5 DHBDMN O=[N+]([O-])c1cccc(CNCc2ccc(Br)cc2)c1 ZINC000042352626 336239660 /nfs/dbraw/zinc/23/96/60/336239660.db2.gz IVACIGMPGGXPPI-UHFFFAOYSA-N 0 1 321.174 3.647 20 5 DHBDMN O=[N+]([O-])c1ccsc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000301978222 336341100 /nfs/dbraw/zinc/34/11/00/336341100.db2.gz DYHJPVJOJXWFHZ-CQSZACIVSA-N 0 1 317.414 3.733 20 5 DHBDMN Cc1ccc(Cl)cc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356311487 336545878 /nfs/dbraw/zinc/54/58/78/336545878.db2.gz JQQWTUWRLKYCIF-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN C[C@H](NCc1cnc(C(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000284508742 337582564 /nfs/dbraw/zinc/58/25/64/337582564.db2.gz YGCVJOCTNXTJFE-LBPRGKRZSA-N 0 1 314.389 3.533 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CC1(O)CCCCCC1 ZINC000426265925 338024128 /nfs/dbraw/zinc/02/41/28/338024128.db2.gz WKQWHUQIGPGWAV-AWEZNQCLSA-N 0 1 306.406 3.673 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1cccs1)C1CC1 ZINC000430211838 338101675 /nfs/dbraw/zinc/10/16/75/338101675.db2.gz BEBHCFHMKAFIJF-INIZCTEOSA-N 0 1 318.398 3.906 20 5 DHBDMN CSCCCN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000439480098 338371141 /nfs/dbraw/zinc/37/11/41/338371141.db2.gz WUOKDRSVHAELIQ-UHFFFAOYSA-N 0 1 312.435 3.567 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000470949214 339332308 /nfs/dbraw/zinc/33/23/08/339332308.db2.gz WBPZSNDJOSTFHS-GBIKHYSHSA-N 0 1 302.296 3.929 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470949216 339332467 /nfs/dbraw/zinc/33/24/67/339332467.db2.gz WBPZSNDJOSTFHS-GIPNMCIBSA-N 0 1 302.296 3.929 20 5 DHBDMN O=[N+]([O-])c1ccc(CCNc2ccnc3cc(F)ccc32)cc1 ZINC000500484906 340060319 /nfs/dbraw/zinc/06/03/19/340060319.db2.gz FWKVPRMLHQKSHN-UHFFFAOYSA-N 0 1 311.316 3.937 20 5 DHBDMN CCC(C)(C)OCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000308692159 340148390 /nfs/dbraw/zinc/14/83/90/340148390.db2.gz KMPGMTRRQUATEO-UHFFFAOYSA-N 0 1 300.786 3.543 20 5 DHBDMN CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000505636361 340173784 /nfs/dbraw/zinc/17/37/84/340173784.db2.gz QHMGAULMDNFCHT-YVMONPNESA-N 0 1 300.333 3.879 20 5 DHBDMN C[C@H](c1cc(F)ccc1F)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000507192561 340212292 /nfs/dbraw/zinc/21/22/92/340212292.db2.gz SIFXOAXKJWYVLO-SNVBAGLBSA-N 0 1 322.311 3.772 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ncc(C)s1 ZINC000530326774 340787657 /nfs/dbraw/zinc/78/76/57/340787657.db2.gz MVZUOXWXEGJFNR-WDZFZDKYSA-N 0 1 303.387 3.553 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000537986479 340805538 /nfs/dbraw/zinc/80/55/38/340805538.db2.gz IHPUBCHMUMTZGB-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN COc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000539299623 340879993 /nfs/dbraw/zinc/87/99/93/340879993.db2.gz RCIFYEGMCABWLR-LRDDRELGSA-N 0 1 312.369 3.942 20 5 DHBDMN CSc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000540136008 340916086 /nfs/dbraw/zinc/91/60/86/340916086.db2.gz IJVFYXFDHJLBMM-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN Cc1cc(N2CCC(C(F)F)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543048528 341029318 /nfs/dbraw/zinc/02/93/18/341029318.db2.gz QNNNJFIJCLWSAP-UHFFFAOYSA-N 0 1 321.327 3.933 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000075831257 341185059 /nfs/dbraw/zinc/18/50/59/341185059.db2.gz XGJJAERVWACGRZ-CQSZACIVSA-N 0 1 322.380 3.658 20 5 DHBDMN CC1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000549809847 341303698 /nfs/dbraw/zinc/30/36/98/341303698.db2.gz IQWCZZBQAHABLW-UHFFFAOYSA-N 0 1 306.749 3.960 20 5 DHBDMN CCOc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000551238181 341334772 /nfs/dbraw/zinc/33/47/72/341334772.db2.gz VJIHFWKPGGAGEO-UHFFFAOYSA-N 0 1 320.776 3.937 20 5 DHBDMN CN(CCOc1cccc(Cl)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000248010470 341372183 /nfs/dbraw/zinc/37/21/83/341372183.db2.gz BRWAAGVDBRVXGB-UHFFFAOYSA-N 0 1 320.776 3.759 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2O)c1 ZINC000153438617 341540214 /nfs/dbraw/zinc/54/02/14/341540214.db2.gz PNQMPGLLDYXRDN-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN COC1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000265446624 522684615 /nfs/dbraw/zinc/68/46/15/522684615.db2.gz JMIMSOBJEZAZBJ-UHFFFAOYSA-N 0 1 312.797 3.638 20 5 DHBDMN C[C@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718640 525627018 /nfs/dbraw/zinc/62/70/18/525627018.db2.gz BFAXQPAGOLXVQC-ZBEGNZNMSA-N 0 1 316.332 3.908 20 5 DHBDMN C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000188055937 525689317 /nfs/dbraw/zinc/68/93/17/525689317.db2.gz VVANQNYSMLLZNJ-BZNIZROVSA-N 0 1 316.332 3.908 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CSc1nc(C2CC2)n[nH]1 ZINC000266865697 527355142 /nfs/dbraw/zinc/35/51/42/527355142.db2.gz YQGIJMHABCWMSY-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CSc1n[nH]c(C2CC2)n1 ZINC000266865697 527355145 /nfs/dbraw/zinc/35/51/45/527355145.db2.gz YQGIJMHABCWMSY-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000109781000 1013749814 /nfs/dbraw/zinc/74/98/14/1013749814.db2.gz ZZRFKLSIFPORIY-LBPRGKRZSA-N 0 1 316.357 3.502 20 5 DHBDMN CCCOC(=O)c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001210397523 1013831229 /nfs/dbraw/zinc/83/12/29/1013831229.db2.gz DURPXOOIDIYNSY-UHFFFAOYSA-N 0 1 316.313 3.611 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1Nc1cc(O)c(Cl)cc1F ZINC001210953488 1014096767 /nfs/dbraw/zinc/09/67/67/1014096767.db2.gz JZNVJXHEVPZNQQ-UHFFFAOYSA-N 0 1 300.648 3.976 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000580802736 1014356210 /nfs/dbraw/zinc/35/62/10/1014356210.db2.gz OYXZRLTZQHDGRC-JQFCIGGWSA-N 0 1 318.417 3.854 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](c2ccco2)C1 ZINC000610476369 1014544364 /nfs/dbraw/zinc/54/43/64/1014544364.db2.gz AYIPXIFYYSAREU-ZDUSSCGKSA-N 0 1 316.357 3.576 20 5 DHBDMN Cc1c(CN2CC3(CCCC3)OC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000443326380 1014872560 /nfs/dbraw/zinc/87/25/60/1014872560.db2.gz BLLXKBFDUHMAIN-UHFFFAOYSA-N 0 1 318.417 3.827 20 5 DHBDMN Cc1cc(C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)[nH]n1 ZINC000276283433 1014918559 /nfs/dbraw/zinc/91/85/59/1014918559.db2.gz XGIPPBZWIXFUJO-UHFFFAOYSA-N 0 1 320.780 3.664 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cnc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000846847755 1032111641 /nfs/dbraw/zinc/11/16/41/1032111641.db2.gz NXGBLICIZMWUKS-SNVBAGLBSA-N 0 1 323.755 3.942 20 5 DHBDMN C[C@H]1c2ccsc2CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209048 1015971234 /nfs/dbraw/zinc/97/12/34/1015971234.db2.gz XGYBHJNHWVKIJR-LBPRGKRZSA-N 0 1 318.398 3.654 20 5 DHBDMN CC(C)N1CC(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001168314080 1032216158 /nfs/dbraw/zinc/21/61/58/1032216158.db2.gz KAYPNCMTWSDNGU-UHFFFAOYSA-N 0 1 311.385 3.766 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(Oc3ccccc3)CC2)cc1 ZINC000064792055 1012092116 /nfs/dbraw/zinc/09/21/16/1012092116.db2.gz DDMZGNJSWONPBR-UHFFFAOYSA-N 0 1 312.369 3.638 20 5 DHBDMN COCc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000154461904 1012731116 /nfs/dbraw/zinc/73/11/16/1012731116.db2.gz PEAZRODJKSWYFQ-UHFFFAOYSA-N 0 1 318.373 3.745 20 5 DHBDMN CC(C)CC[C@@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652725 1017606424 /nfs/dbraw/zinc/60/64/24/1017606424.db2.gz JYSWVYFZIHFVSJ-ZDUSSCGKSA-N 0 1 316.405 3.872 20 5 DHBDMN Cc1cc(C)cc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444687860 1017615852 /nfs/dbraw/zinc/61/58/52/1017615852.db2.gz HKYVIMKRFUTPDL-CYBMUJFWSA-N 0 1 324.384 3.939 20 5 DHBDMN Cc1ccc(CN2CCC(OCCC(C)C)CC2)cc1[N+](=O)[O-] ZINC000121609731 1017982019 /nfs/dbraw/zinc/98/20/19/1017982019.db2.gz FKYZTVKRAZCCQF-UHFFFAOYSA-N 0 1 320.433 3.930 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(Cl)nc1 ZINC000765128544 1018483063 /nfs/dbraw/zinc/48/30/63/1018483063.db2.gz VOFZVGJXARYGHE-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000923470436 1019221004 /nfs/dbraw/zinc/22/10/04/1019221004.db2.gz PUVDFBLDPFGNNK-SUMWQHHRSA-N 0 1 320.389 3.541 20 5 DHBDMN CC(C)CCN(C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611254175 1019422234 /nfs/dbraw/zinc/42/22/34/1019422234.db2.gz DGJPOETZJPBRCP-UHFFFAOYSA-N 0 1 302.321 3.674 20 5 DHBDMN CCN(C/C=C\c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000611266881 1019427517 /nfs/dbraw/zinc/42/75/17/1019427517.db2.gz HPCCAQAAYMTLED-ALCCZGGFSA-N 0 1 302.296 3.882 20 5 DHBDMN O=[N+]([O-])c1ccsc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000611412042 1019477002 /nfs/dbraw/zinc/47/70/02/1019477002.db2.gz POQMLXCXLNZVPC-UHFFFAOYSA-N 0 1 308.750 3.798 20 5 DHBDMN CN[C@H](CC(C)(C)C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238301 1019966438 /nfs/dbraw/zinc/96/64/38/1019966438.db2.gz OTVAMATZDLCIAR-GFCCVEGCSA-N 0 1 318.377 3.650 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000922671615 1020203748 /nfs/dbraw/zinc/20/37/48/1020203748.db2.gz BWQTUVVKBUMLPM-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732568708 1020256682 /nfs/dbraw/zinc/25/66/82/1020256682.db2.gz IPISVDLHLHVODV-MRVPVSSYSA-N 0 1 317.736 3.693 20 5 DHBDMN COc1ccc([C@@H](C)[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000338885601 1020312772 /nfs/dbraw/zinc/31/27/72/1020312772.db2.gz ARYMYWXDHXDSDU-GFCCVEGCSA-N 0 1 316.357 3.502 20 5 DHBDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000338885601 1020312779 /nfs/dbraw/zinc/31/27/79/1020312779.db2.gz ARYMYWXDHXDSDU-GFCCVEGCSA-N 0 1 316.357 3.502 20 5 DHBDMN CCC1(CC)CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000347948795 1020464356 /nfs/dbraw/zinc/46/43/56/1020464356.db2.gz ATNCYODSSGIPTO-UHFFFAOYSA-N 0 1 320.389 3.733 20 5 DHBDMN C[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC[C@@H]1C ZINC000123100198 1020510137 /nfs/dbraw/zinc/51/01/37/1020510137.db2.gz PEJYWBCYMGZTIS-STQMWFEESA-N 0 1 315.373 3.728 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccccc1N(C)C ZINC000537973036 1032969825 /nfs/dbraw/zinc/96/98/25/1032969825.db2.gz PFDYCQUCNIUMJB-CQSZACIVSA-N 0 1 313.401 3.820 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3C=CCC3)cs2)c1 ZINC000850358319 1021486090 /nfs/dbraw/zinc/48/60/90/1021486090.db2.gz AZFUJINKDHVWCF-LBPRGKRZSA-N 0 1 301.371 3.527 20 5 DHBDMN O=[N+]([O-])c1ccccc1CCNc1cc[nH+]c2c([O-])cccc12 ZINC000619482827 1021766292 /nfs/dbraw/zinc/76/62/92/1021766292.db2.gz FXTVTLQNUHKKJF-UHFFFAOYSA-N 0 1 309.325 3.503 20 5 DHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC1(Cl)Cl ZINC000920206117 1022077771 /nfs/dbraw/zinc/07/77/71/1022077771.db2.gz BTJVOSBQDKWHEJ-LBPRGKRZSA-N 0 1 317.216 3.999 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@H](CCF)C1 ZINC000852532168 1022134746 /nfs/dbraw/zinc/13/47/46/1022134746.db2.gz CSBZMLZVFKFMJT-NSHDSACASA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(CCOC2CCCCC2)C2CC2)c1 ZINC001167734875 1022215931 /nfs/dbraw/zinc/21/59/31/1022215931.db2.gz QCBJPWMCCKCMHP-UHFFFAOYSA-N 0 1 318.417 3.909 20 5 DHBDMN CCN(Cc1c(F)cccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169041647 1022223665 /nfs/dbraw/zinc/22/36/65/1022223665.db2.gz BTTZIWQKHYEUGD-VXGBXAGGSA-N 0 1 314.788 3.746 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(C[C@H]2CC[C@@H](C3CC3)O2)C2CC2)c1 ZINC001167735352 1022229509 /nfs/dbraw/zinc/22/95/09/1022229509.db2.gz ZUEZOMHFZJCUDS-MSOLQXFVSA-N 0 1 316.401 3.517 20 5 DHBDMN Cc1c([C@@H](C)N[C@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357170 1022702410 /nfs/dbraw/zinc/70/24/10/1022702410.db2.gz GGZLBHCEILXJSE-DYVFJYSZSA-N 0 1 312.369 3.825 20 5 DHBDMN CCN(C/C=C/c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000092737666 1023073754 /nfs/dbraw/zinc/07/37/54/1023073754.db2.gz HPCCAQAAYMTLED-FNORWQNLSA-N 0 1 302.296 3.882 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccnc(F)c3)C2)cc1 ZINC000859324116 1033123706 /nfs/dbraw/zinc/12/37/06/1033123706.db2.gz INGWXCNKMZQTAG-HNNXBMFYSA-N 0 1 315.348 3.509 20 5 DHBDMN C[C@@H]1C[C@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538717422 1033143390 /nfs/dbraw/zinc/14/33/90/1033143390.db2.gz ZZFRFIUYSDIFIR-NEPJUHHUSA-N 0 1 317.414 3.949 20 5 DHBDMN CC(C)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000538728386 1033149144 /nfs/dbraw/zinc/14/91/44/1033149144.db2.gz QPSOXRQIFXOILV-GMNBZTITSA-N 0 1 306.431 3.681 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1c(C)noc1C ZINC000787405479 1023793220 /nfs/dbraw/zinc/79/32/20/1023793220.db2.gz CHGCTOQKYDALQR-XYOKQWHBSA-N 0 1 315.373 3.735 20 5 DHBDMN CCS[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788482753 1023900177 /nfs/dbraw/zinc/90/01/77/1023900177.db2.gz NKOPNOXAINIQMA-CYBMUJFWSA-N 0 1 312.410 3.842 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCSC3(CCCCC3)C2)cc1F ZINC000788483953 1023900548 /nfs/dbraw/zinc/90/05/48/1023900548.db2.gz ZYWXCDCKEDFORA-UHFFFAOYSA-N 0 1 324.421 3.986 20 5 DHBDMN C[C@@H](NCc1cc2ccccc2o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652229 1023914384 /nfs/dbraw/zinc/91/43/84/1023914384.db2.gz OKZDINXXWYEPJJ-LLVKDONJSA-N 0 1 311.341 3.774 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000053814843 1023929632 /nfs/dbraw/zinc/92/96/32/1023929632.db2.gz HUOXOQKTQUUOLQ-UHFFFAOYSA-N 0 1 310.353 3.590 20 5 DHBDMN Cc1c(CN[C@@H]2CCc3ccc(Cl)nc32)cccc1[N+](=O)[O-] ZINC000788778659 1023937692 /nfs/dbraw/zinc/93/76/92/1023937692.db2.gz UAHNTLRAHCBBEN-CYBMUJFWSA-N 0 1 317.776 3.729 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000051404503 1023996594 /nfs/dbraw/zinc/99/65/94/1023996594.db2.gz CFIBFJHOZONYPG-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN CCC[C@H](N[C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344243 1024704806 /nfs/dbraw/zinc/70/48/06/1024704806.db2.gz RFDWCQFKINPMAE-HOTGVXAUSA-N 0 1 320.414 3.821 20 5 DHBDMN COCCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1C ZINC000349838794 1024761359 /nfs/dbraw/zinc/76/13/59/1024761359.db2.gz YJPXLWSHGQJPJC-UHFFFAOYSA-N 0 1 314.385 3.552 20 5 DHBDMN CCCCN(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000728895905 1024781537 /nfs/dbraw/zinc/78/15/37/1024781537.db2.gz DIZGXBBMJMUIGZ-UHFFFAOYSA-N 0 1 314.389 3.680 20 5 DHBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c(F)cccc1Cl ZINC000747154685 1025187913 /nfs/dbraw/zinc/18/79/13/1025187913.db2.gz SWLYMTYLSVBTOV-SSDOTTSWSA-N 0 1 312.684 3.633 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc2c(s1)CCC2 ZINC000539093260 1033271755 /nfs/dbraw/zinc/27/17/55/1033271755.db2.gz KDVAYPGAMCGKIH-NSHDSACASA-N 0 1 302.399 3.996 20 5 DHBDMN O=[N+]([O-])c1ncccc1CN1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000886005730 1025434204 /nfs/dbraw/zinc/43/42/04/1025434204.db2.gz IUGVPBINLCGHCK-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN CC[C@](C)(NCc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886303843 1025585255 /nfs/dbraw/zinc/58/52/55/1025585255.db2.gz HNCPXLJGBVFVMB-INIZCTEOSA-N 0 1 303.337 3.544 20 5 DHBDMN COc1cc(/C=C/c2cc(C=O)c(C)s2)cc([N+](=O)[O-])c1O ZINC000760266061 1025721972 /nfs/dbraw/zinc/72/19/72/1025721972.db2.gz RNQZGSAEPKITCH-ONEGZZNKSA-N 0 1 319.338 3.662 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CSCCc3ccccc32)cc1 ZINC000089513457 1026054388 /nfs/dbraw/zinc/05/43/88/1026054388.db2.gz HUPDVAONVWKEAQ-KRWDZBQOSA-N 0 1 314.410 3.715 20 5 DHBDMN CCc1nc2c(s1)[C@@H](NCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089513498 1026054685 /nfs/dbraw/zinc/05/46/85/1026054685.db2.gz GVSAIOYMIXZYAK-ZDUSSCGKSA-N 0 1 317.414 3.781 20 5 DHBDMN C[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883528 1026073818 /nfs/dbraw/zinc/07/38/18/1026073818.db2.gz PSXZGMONEDZKQM-GFCCVEGCSA-N 0 1 301.346 3.624 20 5 DHBDMN COc1cc(F)cc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090972073 1026091422 /nfs/dbraw/zinc/09/14/22/1026091422.db2.gz IVZUVGLUOZQDIQ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@H]1OCC[C@]1(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987733 1026656682 /nfs/dbraw/zinc/65/66/82/1026656682.db2.gz KFDDYWPVMFZCKZ-OQPBUACISA-N 0 1 319.188 3.559 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](CC(F)(F)F)C2)cc1 ZINC000420951116 1026889979 /nfs/dbraw/zinc/88/99/79/1026889979.db2.gz QMQQFMPHTOTEMM-LBPRGKRZSA-N 0 1 302.296 3.759 20 5 DHBDMN CCCCOC1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000362456068 1027220954 /nfs/dbraw/zinc/22/09/54/1027220954.db2.gz UPUXMJWENKOFKJ-AWEZNQCLSA-N 0 1 306.406 3.937 20 5 DHBDMN Cc1ccc2nc([C@H]3CCCN3c3ccc([N+](=O)[O-])nc3)[nH]c2c1 ZINC000562529312 1027484040 /nfs/dbraw/zinc/48/40/40/1027484040.db2.gz FZXGNUAXHNFTRE-OAHLLOKOSA-N 0 1 323.356 3.516 20 5 DHBDMN C[C@H](NCc1cnc(C(C)(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000295927849 1027492353 /nfs/dbraw/zinc/49/23/53/1027492353.db2.gz FJWFRGCPSVTLBQ-LBPRGKRZSA-N 0 1 314.389 3.533 20 5 DHBDMN CC(C)(NCc1ccc2c(c1)COC2)c1ccccc1[N+](=O)[O-] ZINC000813791682 1027713440 /nfs/dbraw/zinc/71/34/40/1027713440.db2.gz HHPCRICWYMVQMW-UHFFFAOYSA-N 0 1 312.369 3.650 20 5 DHBDMN COc1cc(F)cc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000577886094 1027975235 /nfs/dbraw/zinc/97/52/35/1027975235.db2.gz AARMTKCMRPONRK-INIZCTEOSA-N 0 1 316.332 3.520 20 5 DHBDMN COc1ccc2c(c1)CC[C@H]2N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272513 1028052714 /nfs/dbraw/zinc/05/27/14/1028052714.db2.gz GGQNFXYTGGXPMG-YVEFUNNKSA-N 0 1 312.369 3.942 20 5 DHBDMN CC(C)(C)OC1CC(NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000779128989 1028360735 /nfs/dbraw/zinc/36/07/35/1028360735.db2.gz RWLHUYDOYOJKHO-UHFFFAOYSA-N 0 1 312.797 3.684 20 5 DHBDMN CC(C)n1cc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258182 1028363491 /nfs/dbraw/zinc/36/34/91/1028363491.db2.gz DYEIDVQDCVSPMB-LRDDRELGSA-N 0 1 314.389 3.710 20 5 DHBDMN CC(C)n1cc([C@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258181 1028364240 /nfs/dbraw/zinc/36/42/40/1028364240.db2.gz DYEIDVQDCVSPMB-BLLLJJGKSA-N 0 1 314.389 3.710 20 5 DHBDMN CCC[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575768 1028551512 /nfs/dbraw/zinc/55/15/12/1028551512.db2.gz ZQXVCQWOMJMRCL-MLGOLLRUSA-N 0 1 314.389 3.764 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC=C(c2ccco2)C1 ZINC000566646183 1028757794 /nfs/dbraw/zinc/75/77/94/1028757794.db2.gz DNSUELMVLLIPBI-CLTKARDFSA-N 0 1 310.353 3.990 20 5 DHBDMN Cc1cc2[nH]ncc2cc1NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000567105230 1028837650 /nfs/dbraw/zinc/83/76/50/1028837650.db2.gz JWHZWWVKGSUIIJ-LLVKDONJSA-N 0 1 324.340 3.522 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1Sc1nc(-c2ccccc2)n[nH]1 ZINC000567173878 1028851613 /nfs/dbraw/zinc/85/16/13/1028851613.db2.gz ROENXUYATIMODJ-UHFFFAOYSA-N 0 1 316.317 3.670 20 5 DHBDMN O=[N+]([O-])c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)cn1 ZINC000567414357 1028890014 /nfs/dbraw/zinc/89/00/14/1028890014.db2.gz TUTIXXNXEKSJFR-UHFFFAOYSA-N 0 1 306.734 3.671 20 5 DHBDMN CC(C)c1nc(CNCc2ccc([N+](=O)[O-])cc2)c2ccccn21 ZINC000570285108 1029345538 /nfs/dbraw/zinc/34/55/38/1029345538.db2.gz RAUDZEKACLYGTH-UHFFFAOYSA-N 0 1 324.384 3.656 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229789 1029580909 /nfs/dbraw/zinc/58/09/09/1029580909.db2.gz IMYQHQLKDXTHTD-BLLLJJGKSA-N 0 1 315.373 3.800 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccc2)[C@H]2CCOC2)cs1 ZINC000357349140 1030011227 /nfs/dbraw/zinc/01/12/27/1030011227.db2.gz CFBHJBJUAQLGDI-GOEBONIOSA-N 0 1 318.398 3.524 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000866539428 1030361092 /nfs/dbraw/zinc/36/10/92/1030361092.db2.gz LSKMKMWXEYZBRJ-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000926797012 1030935170 /nfs/dbraw/zinc/93/51/70/1030935170.db2.gz QJZGXKXCCZMHSQ-CYBMUJFWSA-N 0 1 314.389 3.676 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](OC(F)F)C1 ZINC000611579723 1031108285 /nfs/dbraw/zinc/10/82/85/1031108285.db2.gz NRIXTWXRFQJGAR-WCQYABFASA-N 0 1 314.332 3.668 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1scnc1C ZINC000872032861 1031416402 /nfs/dbraw/zinc/41/64/02/1031416402.db2.gz BENKSNIQTQVYTR-VIFPVBQESA-N 0 1 323.443 3.932 20 5 DHBDMN C[C@@H](N[C@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049442 1031439006 /nfs/dbraw/zinc/43/90/06/1031439006.db2.gz SSHPKZDXRLJZNZ-ZJUUUORDSA-N 0 1 302.296 3.962 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@@H]2N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536860763 1031459088 /nfs/dbraw/zinc/45/90/88/1031459088.db2.gz AWSSKATYKWGODC-DYVFJYSZSA-N 0 1 312.369 3.996 20 5 DHBDMN C[C@@H](NCC1(C(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071687 1031467435 /nfs/dbraw/zinc/46/74/35/1031467435.db2.gz VIRZCBAXJYVAIZ-MRVPVSSYSA-N 0 1 306.259 3.727 20 5 DHBDMN C[C@H](NC[C@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075227 1031471858 /nfs/dbraw/zinc/47/18/58/1031471858.db2.gz AQAABASSJPOXFJ-VHSXEESVSA-N 0 1 302.296 3.820 20 5 DHBDMN C[C@H](NCC(C)(C)OCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078722 1031474335 /nfs/dbraw/zinc/47/43/35/1031474335.db2.gz IRSWZGZGOHUSAP-NSHDSACASA-N 0 1 310.369 3.590 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360686011 1031522112 /nfs/dbraw/zinc/52/21/12/1031522112.db2.gz PEOGJIIBKDGGJC-IBGZPJMESA-N 0 1 324.380 3.616 20 5 DHBDMN O=[N+]([O-])CCN[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000930241819 1031753553 /nfs/dbraw/zinc/75/35/53/1031753553.db2.gz MSXMDWSMGJYECN-GFCCVEGCSA-N 0 1 322.714 3.676 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)o2)c1 ZINC000846111230 1031862361 /nfs/dbraw/zinc/86/23/61/1031862361.db2.gz KOPBJXAHDQWSIM-OKILXGFUSA-N 0 1 320.295 3.552 20 5 DHBDMN Cc1ncc([C@@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000877685390 1033412431 /nfs/dbraw/zinc/41/24/31/1033412431.db2.gz XGSBVAJVOBLMAQ-MRVPVSSYSA-N 0 1 311.794 3.864 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000153594892 1033583859 /nfs/dbraw/zinc/58/38/59/1033583859.db2.gz KXUYOQONOFVGAY-SNVBAGLBSA-N 0 1 321.402 3.609 20 5 DHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)cc(F)cc1F ZINC001173219213 1033600364 /nfs/dbraw/zinc/60/03/64/1033600364.db2.gz YYTGAVBHRVXMLJ-SNVBAGLBSA-N 0 1 324.302 3.733 20 5 DHBDMN Cc1cc([C@H]2CCCN2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229217 1033606040 /nfs/dbraw/zinc/60/60/40/1033606040.db2.gz RPZJNGSXEIUDDN-SJKOYZFVSA-N 0 1 315.373 3.659 20 5 DHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)ccc(F)c1F ZINC001173213835 1033613589 /nfs/dbraw/zinc/61/35/89/1033613589.db2.gz LBTXDNCXPBTWGK-JTQLQIEISA-N 0 1 324.302 3.733 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3nccs3)C2)c(Cl)c1 ZINC000880320469 1034296048 /nfs/dbraw/zinc/29/60/48/1034296048.db2.gz TUXYVZXFICFQJJ-LLVKDONJSA-N 0 1 323.805 3.694 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](c2nccs2)C1 ZINC000880318464 1034296748 /nfs/dbraw/zinc/29/67/48/1034296748.db2.gz ZLAMFFQTHGRZOV-JTQLQIEISA-N 0 1 323.805 3.694 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(Cl)cn1)CCC2 ZINC000193069902 1034829003 /nfs/dbraw/zinc/82/90/03/1034829003.db2.gz BKMOZKGYFUXCIX-INIZCTEOSA-N 0 1 317.776 3.810 20 5 DHBDMN CCCCN(CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089882927 1035757906 /nfs/dbraw/zinc/75/79/06/1035757906.db2.gz ZWTAWHZSMXAXOB-UHFFFAOYSA-N 0 1 303.362 3.872 20 5 DHBDMN C[C@@H](C(=O)N(C)Cc1c2ccccc2cc2ccccc21)N(C)C ZINC001180864568 1035773238 /nfs/dbraw/zinc/77/32/38/1035773238.db2.gz VVWJLGNDIZRJIX-HNNXBMFYSA-N 0 1 320.436 3.902 20 5 DHBDMN CCc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000485738325 1035926332 /nfs/dbraw/zinc/92/63/32/1035926332.db2.gz NPRLNUCTWQAXDI-UHFFFAOYSA-N 0 1 314.385 3.798 20 5 DHBDMN CS[C@@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000488 1036487424 /nfs/dbraw/zinc/48/74/24/1036487424.db2.gz NHHGADYUPTYJNJ-CYBMUJFWSA-N 0 1 314.838 3.966 20 5 DHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000090224800 1036488059 /nfs/dbraw/zinc/48/80/59/1036488059.db2.gz JUONFUAVSRNGJM-INIZCTEOSA-N 0 1 315.329 3.744 20 5 DHBDMN CCc1noc(C)c1CN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271811254 1036547953 /nfs/dbraw/zinc/54/79/53/1036547953.db2.gz ROIBDCNFIPZWJM-OAHLLOKOSA-N 0 1 303.362 3.695 20 5 DHBDMN CC(C)[C@@H](C)N(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000915207966 1036708479 /nfs/dbraw/zinc/70/84/79/1036708479.db2.gz AHCJEWVYRLKDFH-SNVBAGLBSA-N 0 1 309.391 3.806 20 5 DHBDMN C[C@@H]1c2sccc2CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001197431448 1036776449 /nfs/dbraw/zinc/77/64/49/1036776449.db2.gz FJSSGHRBXHIZGA-GFCCVEGCSA-N 0 1 318.398 3.654 20 5 DHBDMN O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2C[NH+]2CCCC2)c1 ZINC001201221758 1037582475 /nfs/dbraw/zinc/58/24/75/1037582475.db2.gz GNPLJALQORCACO-UHFFFAOYSA-N 0 1 313.357 3.640 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]2Cc2ccccc2)c(F)c1 ZINC000490402604 1037706695 /nfs/dbraw/zinc/70/66/95/1037706695.db2.gz QTJPXDCYPJEEOG-HNNXBMFYSA-N 0 1 300.333 3.551 20 5 DHBDMN Cc1cc(F)c(CNCCc2ccccc2[N+](=O)[O-])c(F)c1 ZINC001202228776 1038093505 /nfs/dbraw/zinc/09/35/05/1038093505.db2.gz XHZRZFPFCZUJJF-UHFFFAOYSA-N 0 1 306.312 3.514 20 5 DHBDMN CCC[N@@H+](C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001190562124 1038343667 /nfs/dbraw/zinc/34/36/67/1038343667.db2.gz ZLCWDSBCNUTLON-CYBMUJFWSA-N 0 1 324.421 3.870 20 5 DHBDMN CCCN(C)Cc1cc(OC)c(OC[C@H](C)CC)cc1[N+](=O)[O-] ZINC001190562124 1038343682 /nfs/dbraw/zinc/34/36/82/1038343682.db2.gz ZLCWDSBCNUTLON-CYBMUJFWSA-N 0 1 324.421 3.870 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC3(CC(F)C3)C2)o1 ZINC000590969325 1038732696 /nfs/dbraw/zinc/73/26/96/1038732696.db2.gz ULUIDQJKUNIEAP-UHFFFAOYSA-N 0 1 316.332 3.789 20 5 DHBDMN CCn1cc(CN(Cc2ccc(C)c([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593677211 1039042927 /nfs/dbraw/zinc/04/29/27/1039042927.db2.gz UNUHXHKIGFNOFS-UHFFFAOYSA-N 0 1 316.405 3.530 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](NCc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000593677180 1039044257 /nfs/dbraw/zinc/04/42/57/1039044257.db2.gz SZWWGCVMQPTHFZ-KRWDZBQOSA-N 0 1 300.333 3.819 20 5 DHBDMN CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734879 1039139541 /nfs/dbraw/zinc/13/95/41/1039139541.db2.gz HGWLRIGRFSMCKC-AWEZNQCLSA-N 0 1 320.389 3.694 20 5 DHBDMN Cc1c(CN[C@H](c2ccccn2)C2CCC2)cccc1[N+](=O)[O-] ZINC000599570481 1039208077 /nfs/dbraw/zinc/20/80/77/1039208077.db2.gz YJYUHAXYLGEDSO-SFHVURJKSA-N 0 1 311.385 3.929 20 5 DHBDMN COc1ccc(C)cc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502795 1039802679 /nfs/dbraw/zinc/80/26/79/1039802679.db2.gz OPHUEJIYUMOMLV-INIZCTEOSA-N 0 1 312.369 3.689 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029389 1040035942 /nfs/dbraw/zinc/03/59/42/1040035942.db2.gz XZSSURQOCFAMKB-BLLLJJGKSA-N 0 1 315.373 3.800 20 5 DHBDMN CC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029392 1040038043 /nfs/dbraw/zinc/03/80/43/1040038043.db2.gz XZSSURQOCFAMKB-WBMJQRKESA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1noc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595324891 1040107472 /nfs/dbraw/zinc/10/74/72/1040107472.db2.gz CRBJREOPFBZFGH-WFASDCNBSA-N 0 1 315.373 3.517 20 5 DHBDMN CCC[C@@H](N[C@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321543 1040599492 /nfs/dbraw/zinc/59/94/92/1040599492.db2.gz SQGDNHJSIFUPTF-CVEARBPZSA-N 0 1 314.389 3.757 20 5 DHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@H]1C1CC1 ZINC000602679831 1041162284 /nfs/dbraw/zinc/16/22/84/1041162284.db2.gz SEPDBQAASFRNRI-LBPRGKRZSA-N 0 1 300.280 3.598 20 5 DHBDMN CS[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602679436 1041162594 /nfs/dbraw/zinc/16/25/94/1041162594.db2.gz KZBHAONRRHRRAW-LLVKDONJSA-N 0 1 320.336 3.551 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC(Cc2nccs2)CC1 ZINC000602732264 1041185942 /nfs/dbraw/zinc/18/59/42/1041185942.db2.gz FXBGQYFPLNYLOV-UHFFFAOYSA-N 0 1 317.414 3.506 20 5 DHBDMN Cc1ccccc1[C@@H](CC(C)C)NCc1cn(C)nc1[N+](=O)[O-] ZINC000602803764 1041228775 /nfs/dbraw/zinc/22/87/75/1041228775.db2.gz DJMIORPZPUZFRJ-MRXNPFEDSA-N 0 1 316.405 3.514 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217368 185286983 /nfs/dbraw/zinc/28/69/83/185286983.db2.gz JEAZJYNQSFRPIF-NWDGAFQWSA-N 0 1 303.337 3.849 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(CCC(F)(F)F)CC1CC1 ZINC000084138233 192405650 /nfs/dbraw/zinc/40/56/50/192405650.db2.gz PHRNZLDMHZKJDM-UHFFFAOYSA-N 0 1 302.296 3.759 20 5 DHBDMN COc1ccc2nc(SCc3ccccc3[N+](=O)[O-])[nH]c2c1 ZINC000004252236 181088417 /nfs/dbraw/zinc/08/84/17/181088417.db2.gz JPWNXHNHGAVISL-UHFFFAOYSA-N 0 1 315.354 3.772 20 5 DHBDMN Cc1noc(C)c1C(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000285590707 131184053 /nfs/dbraw/zinc/18/40/53/131184053.db2.gz VYBBMDZWDSOVSO-VQHVLOKHSA-N 0 1 315.373 3.738 20 5 DHBDMN Cc1nc([C@@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000286358496 131232490 /nfs/dbraw/zinc/23/24/90/131232490.db2.gz KTQROKRETPIILE-RXMQYKEDSA-N 0 1 316.148 3.501 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291809991 131601501 /nfs/dbraw/zinc/60/15/01/131601501.db2.gz YBLPPMAQMPKQTJ-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN COc1ccc(CN(Cc2ccco2)C(C)C)cc1[N+](=O)[O-] ZINC000299408559 132103926 /nfs/dbraw/zinc/10/39/26/132103926.db2.gz YVPLAWAUYMREDS-UHFFFAOYSA-N 0 1 304.346 3.607 20 5 DHBDMN CC[C@H](C)n1nc(Nc2nc(C)cc(C)c2[N+](=O)[O-])cc1C ZINC000542863671 435648539 /nfs/dbraw/zinc/64/85/39/435648539.db2.gz ACQAXSBFAQRLGG-NSHDSACASA-N 0 1 303.366 3.826 20 5 DHBDMN COC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000173413249 332829875 /nfs/dbraw/zinc/82/98/75/332829875.db2.gz BPLIRVSYJAZFHL-DYVFJYSZSA-N 0 1 300.358 3.633 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1ccccc1C ZINC000559326417 332026988 /nfs/dbraw/zinc/02/69/88/332026988.db2.gz LKONAIOHWNWPFV-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2cccnc21 ZINC000365003393 333334312 /nfs/dbraw/zinc/33/43/12/333334312.db2.gz WOJOZSPICIMQSZ-KRWDZBQOSA-N 0 1 311.385 3.889 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000521425840 333380964 /nfs/dbraw/zinc/38/09/64/333380964.db2.gz NMBUCXKUCJEPDT-GOSISDBHSA-N 0 1 314.360 3.941 20 5 DHBDMN CO[C@@](C)([C@@H](C)NCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963922 333717280 /nfs/dbraw/zinc/71/72/80/333717280.db2.gz CRLUZZRGHVPHDF-BMIGLBTASA-N 0 1 312.797 3.541 20 5 DHBDMN CC1=C[C@H](C)CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000430265068 334042025 /nfs/dbraw/zinc/04/20/25/334042025.db2.gz UGUQMDUBHDPBAI-LBPRGKRZSA-N 0 1 313.357 3.648 20 5 DHBDMN C/C(=C/c1nc([C@H](N)CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624471 334045558 /nfs/dbraw/zinc/04/55/58/334045558.db2.gz VNRILOMPIUBMRQ-RBJHHQRMSA-N 0 1 316.361 3.584 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1nc(C)cs1 ZINC000344853145 335280076 /nfs/dbraw/zinc/28/00/76/335280076.db2.gz CGKRBLXTZANMEV-IZZDOVSWSA-N 0 1 303.387 3.553 20 5 DHBDMN Cc1nc(C)c(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)o1 ZINC000323942304 335705446 /nfs/dbraw/zinc/70/54/46/335705446.db2.gz KIYZELUXZJVATD-UHFFFAOYSA-N 0 1 312.329 3.668 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000192466082 336034920 /nfs/dbraw/zinc/03/49/20/336034920.db2.gz WRYZQVQFKPTPHW-NEPJUHHUSA-N 0 1 314.341 3.735 20 5 DHBDMN CO[C@](C)(CNc1cc(C)nc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000324056768 336046597 /nfs/dbraw/zinc/04/65/97/336046597.db2.gz ZIHVELVASNJDPT-QGZVFWFLSA-N 0 1 315.373 3.678 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccccc1F)CCC2 ZINC000192597942 336178391 /nfs/dbraw/zinc/17/83/91/336178391.db2.gz VYQHLUVAMLCDIC-KRWDZBQOSA-N 0 1 300.333 3.901 20 5 DHBDMN C[C@@H](N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000532489316 336250396 /nfs/dbraw/zinc/25/03/96/336250396.db2.gz AAOIAHLKBGQESG-LLVKDONJSA-N 0 1 318.377 3.511 20 5 DHBDMN Cc1ccc(NCc2ccc(CN(C)C)c(F)c2)c([N+](=O)[O-])c1 ZINC000301857090 336334540 /nfs/dbraw/zinc/33/45/40/336334540.db2.gz DGJXNXYVCZFSIH-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN Cc1cc(N2CCSC[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302707332 336365883 /nfs/dbraw/zinc/36/58/83/336365883.db2.gz HEUKVGMXMKSNJA-LLVKDONJSA-N 0 1 317.414 3.641 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCC2(C(F)(F)F)CC2)c(Cl)c1 ZINC000353048056 336391631 /nfs/dbraw/zinc/39/16/31/336391631.db2.gz OWQAGJZBYHVXGU-UHFFFAOYSA-N 0 1 308.687 3.680 20 5 DHBDMN O=[N+]([O-])c1cccc(CNCc2ccc(-c3ccncc3)cc2)c1 ZINC000371763300 336912478 /nfs/dbraw/zinc/91/24/78/336912478.db2.gz XGSMUVXMFXJWGV-UHFFFAOYSA-N 0 1 319.364 3.947 20 5 DHBDMN C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000375343925 337008512 /nfs/dbraw/zinc/00/85/12/337008512.db2.gz AMNUFGBGFSHXBZ-MEDUHNTESA-N 0 1 316.332 3.908 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOc2c(C)cccc21 ZINC000188872937 337275950 /nfs/dbraw/zinc/27/59/50/337275950.db2.gz YCHNBTCJWFVTNS-QGZVFWFLSA-N 0 1 312.369 3.825 20 5 DHBDMN Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191655469 337298346 /nfs/dbraw/zinc/29/83/46/337298346.db2.gz SGIJXIBWRWVAMB-INIZCTEOSA-N 0 1 312.369 3.776 20 5 DHBDMN COc1ccc(C2(N[C@H](C)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000537420008 337937488 /nfs/dbraw/zinc/93/74/88/337937488.db2.gz IUARNSRHBTYEAF-CYBMUJFWSA-N 0 1 312.369 3.943 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000430219406 338101936 /nfs/dbraw/zinc/10/19/36/338101936.db2.gz NSXFLEHQZXNSHC-QGZVFWFLSA-N 0 1 312.369 3.941 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1c1ccccc1 ZINC000430219406 338101937 /nfs/dbraw/zinc/10/19/37/338101937.db2.gz NSXFLEHQZXNSHC-QGZVFWFLSA-N 0 1 312.369 3.941 20 5 DHBDMN Cc1ccc2nc(CNc3c(F)cc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000440600491 338391877 /nfs/dbraw/zinc/39/18/77/338391877.db2.gz RBDGBICSFVABJQ-UHFFFAOYSA-N 0 1 318.283 3.670 20 5 DHBDMN O=[N+]([O-])c1cccc([C@H](NCC2=CCOCC2)c2ccccc2)c1 ZINC000453286360 338818911 /nfs/dbraw/zinc/81/89/11/338818911.db2.gz KCQBLTGOPMWBIF-LJQANCHMSA-N 0 1 324.380 3.621 20 5 DHBDMN Cc1ccc2nc(CNc3cc(C)c([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000461966193 339070051 /nfs/dbraw/zinc/07/00/51/339070051.db2.gz OGWCOWLPXGXTDV-UHFFFAOYSA-N 0 1 314.320 3.839 20 5 DHBDMN COc1cc(CN2CCCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000464686501 339148732 /nfs/dbraw/zinc/14/87/32/339148732.db2.gz CNOROBLHXKUWJY-CQSZACIVSA-N 0 1 310.369 3.753 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCOCc1ccccc1 ZINC000464859809 339158473 /nfs/dbraw/zinc/15/84/73/339158473.db2.gz YTIQZFXERBNORM-OAHLLOKOSA-N 0 1 314.385 3.804 20 5 DHBDMN CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCCO1 ZINC000467562023 339242949 /nfs/dbraw/zinc/24/29/49/339242949.db2.gz IQUDMJOZCVJNQM-OAHLLOKOSA-N 0 1 306.406 3.719 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3c(F)cccc3F)C2)cc1 ZINC000469449357 339289876 /nfs/dbraw/zinc/28/98/76/339289876.db2.gz AZLVPTVLYHUOTH-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000469988416 339306950 /nfs/dbraw/zinc/30/69/50/339306950.db2.gz AUZODTZRJVASFN-GFCCVEGCSA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1ccc([C@@H](C)[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507189049 340212068 /nfs/dbraw/zinc/21/20/68/340212068.db2.gz HWEAGRIEMFOILF-CYBMUJFWSA-N 0 1 300.358 3.802 20 5 DHBDMN Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507189049 340212069 /nfs/dbraw/zinc/21/20/69/340212069.db2.gz HWEAGRIEMFOILF-CYBMUJFWSA-N 0 1 300.358 3.802 20 5 DHBDMN COc1c(C)cc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000507592594 340225758 /nfs/dbraw/zinc/22/57/58/340225758.db2.gz WTMVJOYROWCHLT-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN C[C@]1(NCc2csc([N+](=O)[O-])c2)CCCc2ccccc21 ZINC000538708081 340838951 /nfs/dbraw/zinc/83/89/51/340838951.db2.gz MQSFRJVZLUKQNW-INIZCTEOSA-N 0 1 302.399 3.998 20 5 DHBDMN CN(CCc1ccccc1O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000544190749 341073918 /nfs/dbraw/zinc/07/39/18/341073918.db2.gz ZIQZAECJMLOLRN-UHFFFAOYSA-N 0 1 320.776 3.628 20 5 DHBDMN CC(C)(NCc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000080347224 341273092 /nfs/dbraw/zinc/27/30/92/341273092.db2.gz DASWPNXKHBZEBR-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H]3CF)o2)c1 ZINC000552391944 341390922 /nfs/dbraw/zinc/39/09/22/341390922.db2.gz DKVBBGPJYKIBBR-CQSZACIVSA-N 0 1 304.321 3.789 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2ccc(C)cc21 ZINC000178729957 341963118 /nfs/dbraw/zinc/96/31/18/341963118.db2.gz LQKIGLFKWHUFCI-QGZVFWFLSA-N 0 1 312.369 3.689 20 5 DHBDMN CC(C)COC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266526822 519751929 /nfs/dbraw/zinc/75/19/29/519751929.db2.gz KKWHMGDBLURMOI-CQSZACIVSA-N 0 1 306.406 3.793 20 5 DHBDMN CCCO[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000108392739 520286380 /nfs/dbraw/zinc/28/63/80/520286380.db2.gz WSAXBULWCCNWRB-ZDUSSCGKSA-N 0 1 310.369 3.515 20 5 DHBDMN CCC[C@@H](NCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000154426394 520784175 /nfs/dbraw/zinc/78/41/75/520784175.db2.gz TUHVKMFVPLLPFR-QGZVFWFLSA-N 0 1 300.358 3.931 20 5 DHBDMN CCOc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000266423506 521008977 /nfs/dbraw/zinc/00/89/77/521008977.db2.gz BDWVJCAIEYGZII-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN CCN(Cc1cc(O)ccc1[N+](=O)[O-])Cc1c(F)cccc1F ZINC000353137065 521292116 /nfs/dbraw/zinc/29/21/16/521292116.db2.gz LWYHRKAAIMPPPU-UHFFFAOYSA-N 0 1 322.311 3.601 20 5 DHBDMN CC[C@@H](NCc1cc(F)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181546886 522871166 /nfs/dbraw/zinc/87/11/66/522871166.db2.gz CKGOHEVVMUPYSG-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236604 523476161 /nfs/dbraw/zinc/47/61/61/523476161.db2.gz JLSKSOIVOCHPIX-STQMWFEESA-N 0 1 302.378 3.531 20 5 DHBDMN COc1ccc(CNCc2coc3ccccc23)cc1[N+](=O)[O-] ZINC000339408304 524073194 /nfs/dbraw/zinc/07/31/94/524073194.db2.gz XXBUVFPSDXBFCI-UHFFFAOYSA-N 0 1 312.325 3.639 20 5 DHBDMN Cc1c([C@H](C)N[C@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130439476 525924006 /nfs/dbraw/zinc/92/40/06/525924006.db2.gz VWJRJYPSRIMLME-LRDDRELGSA-N 0 1 312.369 3.947 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCCC4(CCC4)C3)nc2c1 ZINC000366339180 527381609 /nfs/dbraw/zinc/38/16/09/527381609.db2.gz ARKPUIDVSNFMBF-UHFFFAOYSA-N 0 1 301.346 3.502 20 5 DHBDMN COc1ccc2c(c1F)CC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000289333200 537021700 /nfs/dbraw/zinc/02/17/00/537021700.db2.gz VYSRUXJPLQUPDG-OAHLLOKOSA-N 0 1 316.332 3.520 20 5 DHBDMN CCCC[C@H](C)N(CCCC)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000517772385 1013065551 /nfs/dbraw/zinc/06/55/51/1013065551.db2.gz HMMBGPASVXXHDV-LBPRGKRZSA-N 0 1 324.425 3.701 20 5 DHBDMN O=[N+]([O-])c1ccccc1NC[C@H](c1ccco1)N1CCCCC1 ZINC000025814223 1013866941 /nfs/dbraw/zinc/86/69/41/1013866941.db2.gz SMHHWNVMZXZEDG-MRXNPFEDSA-N 0 1 315.373 3.827 20 5 DHBDMN O=[N+]([O-])c1ccccc1NC[C@@H](c1ccco1)N1CCCCC1 ZINC000025814229 1013866972 /nfs/dbraw/zinc/86/69/72/1013866972.db2.gz SMHHWNVMZXZEDG-INIZCTEOSA-N 0 1 315.373 3.827 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]4CCC[C@@H]43)nc2c1 ZINC000083213184 1014001250 /nfs/dbraw/zinc/00/12/50/1014001250.db2.gz AQNUDDXRQQGNAJ-RISCZKNCSA-N 0 1 301.346 3.501 20 5 DHBDMN Cc1cccnc1[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000276307231 1014931065 /nfs/dbraw/zinc/93/10/65/1014931065.db2.gz LGXQORKCKRLYRY-INIZCTEOSA-N 0 1 317.364 3.924 20 5 DHBDMN CCCC[C@@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000581576851 1015008714 /nfs/dbraw/zinc/00/87/14/1015008714.db2.gz ADWWOAZBKTVSAY-GFCCVEGCSA-N 0 1 318.377 3.655 20 5 DHBDMN CN(CCc1ccccc1Cl)Cc1ccccc1[N+](=O)[O-] ZINC000519160279 1015070308 /nfs/dbraw/zinc/07/03/08/1015070308.db2.gz FHUVGFJTIQQWAG-UHFFFAOYSA-N 0 1 304.777 3.923 20 5 DHBDMN C[C@@H](NCc1cccc2c1NCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000896510431 1015604399 /nfs/dbraw/zinc/60/43/99/1015604399.db2.gz OYCFOIWOSUBDFT-CYBMUJFWSA-N 0 1 311.385 3.804 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(Cc1cccc3cc[nH]c31)C2 ZINC000539824693 1016401310 /nfs/dbraw/zinc/40/13/10/1016401310.db2.gz HLLOIXVNCIHRLV-UHFFFAOYSA-N 0 1 307.353 3.634 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2ccncc2)C1 ZINC000514947801 1012509908 /nfs/dbraw/zinc/50/99/08/1012509908.db2.gz KSEIAIUZRPCVRP-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN CCCN(CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349060853 1012604930 /nfs/dbraw/zinc/60/49/30/1012604930.db2.gz GOBFVRQFEWHGIK-UHFFFAOYSA-N 0 1 317.364 3.584 20 5 DHBDMN C[C@@H](CN(C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444611104 1017592636 /nfs/dbraw/zinc/59/26/36/1017592636.db2.gz PWTLOIJOGJOVKI-ZDUSSCGKSA-N 0 1 324.384 3.707 20 5 DHBDMN CCO[C@H](CNCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000446833037 1018263402 /nfs/dbraw/zinc/26/34/02/1018263402.db2.gz FGETWWQHCTVJCF-QGZVFWFLSA-N 0 1 318.348 3.601 20 5 DHBDMN Cc1ccc(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000447076987 1018331995 /nfs/dbraw/zinc/33/19/95/1018331995.db2.gz JLKLGMWHTAPKMA-UHFFFAOYSA-N 0 1 316.405 3.556 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CCC[C@@H]3C3CC3)c2c1 ZINC000728563417 1018357217 /nfs/dbraw/zinc/35/72/17/1018357217.db2.gz UVYDAUUNSMHGCP-GFCCVEGCSA-N 0 1 319.386 3.704 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000447406440 1018393437 /nfs/dbraw/zinc/39/34/37/1018393437.db2.gz UWAJGKJSZSUVEA-LBPRGKRZSA-N 0 1 316.405 3.808 20 5 DHBDMN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926492865 1018458382 /nfs/dbraw/zinc/45/83/82/1018458382.db2.gz HLHVBEYILRMPEU-WFASDCNBSA-N 0 1 315.373 3.800 20 5 DHBDMN CS[C@H]1CCCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000708322060 1018839829 /nfs/dbraw/zinc/83/98/29/1018839829.db2.gz XNHXNVGQITWYGY-LBPRGKRZSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC000921818801 1018902886 /nfs/dbraw/zinc/90/28/86/1018902886.db2.gz RDRSILUNKCVYGL-CYBMUJFWSA-N 0 1 312.369 3.689 20 5 DHBDMN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000923470434 1019219593 /nfs/dbraw/zinc/21/95/93/1019219593.db2.gz PUVDFBLDPFGNNK-DYVFJYSZSA-N 0 1 320.389 3.541 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](c2ccccc2F)C1 ZINC000730432215 1019987884 /nfs/dbraw/zinc/98/78/84/1019987884.db2.gz AEORMBHOQYQHEQ-GFCCVEGCSA-N 0 1 318.323 3.863 20 5 DHBDMN C[C@@H]1CC[N@@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000091859279 1020063705 /nfs/dbraw/zinc/06/37/05/1020063705.db2.gz OEWGCUUQDKKFJH-VXGBXAGGSA-N 0 1 317.414 3.949 20 5 DHBDMN C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@@H]1C ZINC000091859279 1020063720 /nfs/dbraw/zinc/06/37/20/1020063720.db2.gz OEWGCUUQDKKFJH-VXGBXAGGSA-N 0 1 317.414 3.949 20 5 DHBDMN C[C@@H](NCc1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922542315 1020122923 /nfs/dbraw/zinc/12/29/23/1020122923.db2.gz URRRKPDKTZNWNR-SNVBAGLBSA-N 0 1 307.300 3.778 20 5 DHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cc(F)ccc1OC ZINC000922620720 1020164237 /nfs/dbraw/zinc/16/42/37/1020164237.db2.gz XARYCWVXEKPYQW-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN C[C@H](Nc1cccnc1[N+](=O)[O-])c1nc2ccc(Cl)cc2[nH]1 ZINC000732568994 1020256798 /nfs/dbraw/zinc/25/67/98/1020256798.db2.gz SIZLXOGFAMZEJQ-QMMMGPOBSA-N 0 1 317.736 3.693 20 5 DHBDMN C[C@@H](Cc1ccc(O)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000125381715 1020296976 /nfs/dbraw/zinc/29/69/76/1020296976.db2.gz NSBJWXIPLOEGPV-LBPRGKRZSA-N 0 1 318.348 3.503 20 5 DHBDMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000125381953 1020297325 /nfs/dbraw/zinc/29/73/25/1020297325.db2.gz NSBJWXIPLOEGPV-GFCCVEGCSA-N 0 1 318.348 3.503 20 5 DHBDMN O=C(OCCCc1cccc2ccccc21)c1ccc([N+](=O)[O-])[nH]1 ZINC000737354814 1020920663 /nfs/dbraw/zinc/92/06/63/1020920663.db2.gz GXYNGJWAIHHESZ-UHFFFAOYSA-N 0 1 324.336 3.866 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C=CCC3)cs2)c1 ZINC000850358317 1021486824 /nfs/dbraw/zinc/48/68/24/1021486824.db2.gz AZFUJINKDHVWCF-GFCCVEGCSA-N 0 1 301.371 3.527 20 5 DHBDMN CN(CCCOCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000182193891 1021533904 /nfs/dbraw/zinc/53/39/04/1021533904.db2.gz ISVROYGWEHBLDI-UHFFFAOYSA-N 0 1 314.385 3.634 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530185 1021582199 /nfs/dbraw/zinc/58/21/99/1021582199.db2.gz WMQYCLQGMODCQI-BJOOFOGMSA-N 0 1 312.369 3.732 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cnn(C2CCCC2)c1 ZINC000337453374 1033005581 /nfs/dbraw/zinc/00/55/81/1033005581.db2.gz INQCOGMLIPXXOQ-CYBMUJFWSA-N 0 1 314.389 3.757 20 5 DHBDMN O=[N+]([O-])c1ccc(CCNc2cc[nH+]c3c([O-])cccc23)cc1 ZINC000619477535 1021766603 /nfs/dbraw/zinc/76/66/03/1021766603.db2.gz DFXGWVPFSFYXJP-UHFFFAOYSA-N 0 1 309.325 3.503 20 5 DHBDMN CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460604 1022080706 /nfs/dbraw/zinc/08/07/06/1022080706.db2.gz JYMLNUBBULGUSJ-SJORKVTESA-N 0 1 318.348 3.508 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183562669 1022178789 /nfs/dbraw/zinc/17/87/89/1022178789.db2.gz PPLKTRRGMQPMDF-CQSZACIVSA-N 0 1 322.368 3.631 20 5 DHBDMN CSc1ccccc1CN(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339139679 1022221660 /nfs/dbraw/zinc/22/16/60/1022221660.db2.gz IBXBLCXYHKMBTR-UHFFFAOYSA-N 0 1 318.398 3.654 20 5 DHBDMN CN(Cc1c(Cl)cccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038561 1022222705 /nfs/dbraw/zinc/22/27/05/1022222705.db2.gz ZPIJDGDBNBZHMY-QWRGUYRKSA-N 0 1 317.216 3.871 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]1c1ccccn1 ZINC000876585263 1033097428 /nfs/dbraw/zinc/09/74/28/1033097428.db2.gz GHGWUIQCMITAGX-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN CSC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000312743960 1023143138 /nfs/dbraw/zinc/14/31/38/1023143138.db2.gz VWURQOKBCYGFFX-NSHDSACASA-N 0 1 314.838 3.823 20 5 DHBDMN CC[C@@](C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000769786563 1023213822 /nfs/dbraw/zinc/21/38/22/1023213822.db2.gz JZZPWRIQQOTGLY-GOSISDBHSA-N 0 1 324.384 3.886 20 5 DHBDMN O=[N+]([O-])c1sccc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000063258197 1023480986 /nfs/dbraw/zinc/48/09/86/1023480986.db2.gz NEGIPLBJAFQCLG-UHFFFAOYSA-N 0 1 317.414 3.517 20 5 DHBDMN CCN(CCc1ccccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746663342 1023773411 /nfs/dbraw/zinc/77/34/11/1023773411.db2.gz QALVIGLZFZXGOB-UHFFFAOYSA-N 0 1 319.792 3.708 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1F ZINC000788487019 1023893392 /nfs/dbraw/zinc/89/33/92/1023893392.db2.gz BCFCSAIJRVFGET-GJZGRUSLSA-N 0 1 310.394 3.594 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1F ZINC000859564865 1033170646 /nfs/dbraw/zinc/17/06/46/1033170646.db2.gz QFVXRJLWUVSFDJ-QGZVFWFLSA-N 0 1 315.348 3.760 20 5 DHBDMN C[C@H](NCc1ccc(Cl)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647620 1023913776 /nfs/dbraw/zinc/91/37/76/1023913776.db2.gz HTBXQTXNTQUTPN-QMMMGPOBSA-N 0 1 311.794 3.743 20 5 DHBDMN C[C@H](NCc1cc2ccccc2o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652230 1023914501 /nfs/dbraw/zinc/91/45/01/1023914501.db2.gz OKZDINXXWYEPJJ-NSHDSACASA-N 0 1 311.341 3.774 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OC(C)(C)C)CC1 ZINC000268311862 1024100313 /nfs/dbraw/zinc/10/03/13/1024100313.db2.gz QKZPTJAFAIFVFR-ZDUSSCGKSA-N 0 1 306.406 3.935 20 5 DHBDMN Cc1ncc(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000279042312 1024694652 /nfs/dbraw/zinc/69/46/52/1024694652.db2.gz JMQOSGVAVYILFD-HNNXBMFYSA-N 0 1 317.414 3.872 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000349613936 1024733138 /nfs/dbraw/zinc/73/31/38/1024733138.db2.gz NZTORDKYGUZYRC-CQSZACIVSA-N 0 1 304.371 3.699 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000349613936 1024733149 /nfs/dbraw/zinc/73/31/49/1024733149.db2.gz NZTORDKYGUZYRC-CQSZACIVSA-N 0 1 304.371 3.699 20 5 DHBDMN Cc1ccc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279129146 1024751188 /nfs/dbraw/zinc/75/11/88/1024751188.db2.gz QWKZGGXTOAFXQO-QGZVFWFLSA-N 0 1 311.385 3.810 20 5 DHBDMN CN(Cc1cccc(Cl)c1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350077501 1024789275 /nfs/dbraw/zinc/78/92/75/1024789275.db2.gz PBVNAFZMIQHPQB-UHFFFAOYSA-N 0 1 306.749 3.586 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCC2(C(F)(F)F)CCC2)c(F)c1 ZINC000353087617 1024940731 /nfs/dbraw/zinc/94/07/31/1024940731.db2.gz OOHQCDRELPPIQM-UHFFFAOYSA-N 0 1 306.259 3.556 20 5 DHBDMN Cc1nc(C2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000884707095 1025232821 /nfs/dbraw/zinc/23/28/21/1025232821.db2.gz XVBQAFSTHABNDA-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926466 1033270776 /nfs/dbraw/zinc/27/07/76/1033270776.db2.gz PUADFAUDEVQRCP-JCGIZDLHSA-N 0 1 324.380 3.536 20 5 DHBDMN C[C@H](C1CC1)N(Cc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885956735 1025420310 /nfs/dbraw/zinc/42/03/10/1025420310.db2.gz XOBIJKAODFDINE-CQSZACIVSA-N 0 1 311.385 3.791 20 5 DHBDMN CC(C)(NCc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886062277 1025461038 /nfs/dbraw/zinc/46/10/38/1025461038.db2.gz LQZCXDXAFOJGAS-UHFFFAOYSA-N 0 1 305.765 3.668 20 5 DHBDMN O=[N+]([O-])c1ncccc1CNC1(c2ccc(F)cc2)CCCC1 ZINC000886062089 1025461128 /nfs/dbraw/zinc/46/11/28/1025461128.db2.gz GOPKWNGCIDQAHM-UHFFFAOYSA-N 0 1 315.348 3.688 20 5 DHBDMN O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)CC1CCCC1)C1CC1 ZINC000354731856 1025493819 /nfs/dbraw/zinc/49/38/19/1025493819.db2.gz LSWYSTWWLHKAFB-KRWDZBQOSA-N 0 1 318.417 3.500 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(C[C@@H](O)CC1CCCC1)C1CC1 ZINC000354731856 1025493843 /nfs/dbraw/zinc/49/38/43/1025493843.db2.gz LSWYSTWWLHKAFB-KRWDZBQOSA-N 0 1 318.417 3.500 20 5 DHBDMN Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)ccc1[N+](=O)[O-] ZINC000805256186 1025565071 /nfs/dbraw/zinc/56/50/71/1025565071.db2.gz KDMOKVUEFQPAIG-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CC(F)(F)F)C2)cc1 ZINC000420951114 1026890136 /nfs/dbraw/zinc/89/01/36/1026890136.db2.gz QMQQFMPHTOTEMM-GFCCVEGCSA-N 0 1 302.296 3.759 20 5 DHBDMN CO[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000811482182 1027007076 /nfs/dbraw/zinc/00/70/76/1027007076.db2.gz HABQTMXPVNVDKF-LBPRGKRZSA-N 0 1 321.204 3.662 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)Nc2cc(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000362958716 1027467008 /nfs/dbraw/zinc/46/70/08/1027467008.db2.gz RUTTUTJQWSOZNS-QWRGUYRKSA-N 0 1 303.366 3.708 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1C ZINC000932570749 1027546914 /nfs/dbraw/zinc/54/69/14/1027546914.db2.gz NUWBUSIPOSIDOF-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN COc1ncc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000296607265 1027684727 /nfs/dbraw/zinc/68/47/27/1027684727.db2.gz WBNMMJJLCIMPIU-JTQLQIEISA-N 0 1 321.764 3.503 20 5 DHBDMN Cc1[nH]nc2cc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000577452548 1027775301 /nfs/dbraw/zinc/77/53/01/1027775301.db2.gz BACQESQEQFZBAR-SNVBAGLBSA-N 0 1 324.340 3.522 20 5 DHBDMN Cc1c([C@@H]2CCC[N@@H+]2[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336643 1028169422 /nfs/dbraw/zinc/16/94/22/1028169422.db2.gz WKFCDNREJGLJBM-PXAZEXFGSA-N 0 1 314.389 3.535 20 5 DHBDMN Cc1c([C@@H]2CCCN2[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000367336643 1028169432 /nfs/dbraw/zinc/16/94/32/1028169432.db2.gz WKFCDNREJGLJBM-PXAZEXFGSA-N 0 1 314.389 3.535 20 5 DHBDMN COCC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374407 1028397043 /nfs/dbraw/zinc/39/70/43/1028397043.db2.gz REDLTHJSMWIBDK-HUUCEWRRSA-N 0 1 316.357 3.543 20 5 DHBDMN COc1cc(C)ccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000449278710 1028504506 /nfs/dbraw/zinc/50/45/06/1028504506.db2.gz LMAKVPROXNOELJ-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000815569641 1028549863 /nfs/dbraw/zinc/54/98/63/1028549863.db2.gz BGAWLCXODLYJTQ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@H](NCc1scnc1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449349156 1028560854 /nfs/dbraw/zinc/56/08/54/1028560854.db2.gz PLIPZVLPEULRET-JTQLQIEISA-N 0 1 303.387 3.780 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cncc(F)c3)C2)cc1 ZINC000449500877 1028718028 /nfs/dbraw/zinc/71/80/28/1028718028.db2.gz ONYDZMGHMCDIKY-HNNXBMFYSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)N2CCCC2)c(F)c1 ZINC000042096665 1028893557 /nfs/dbraw/zinc/89/35/57/1028893557.db2.gz GRSNZHUIMRJPGY-OAHLLOKOSA-N 0 1 319.336 3.576 20 5 DHBDMN Cc1cnc([C@@H](C)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545911 1029907385 /nfs/dbraw/zinc/90/73/85/1029907385.db2.gz HVDKQKGEEXJSRT-HIFRSBDPSA-N 0 1 315.373 3.832 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000924796890 1030190984 /nfs/dbraw/zinc/19/09/84/1030190984.db2.gz DOUVFBWOWHBCPA-MNOVXSKESA-N 0 1 304.321 3.851 20 5 DHBDMN CSc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000357859029 1030225337 /nfs/dbraw/zinc/22/53/37/1030225337.db2.gz YHMBHVYBYHPJQK-NSHDSACASA-N 0 1 303.387 3.563 20 5 DHBDMN Cc1c(CN[C@H](C)c2cnn(C3CCC3)c2)cccc1[N+](=O)[O-] ZINC000926268594 1030680331 /nfs/dbraw/zinc/68/03/31/1030680331.db2.gz HWANSGUNRBQLFH-CYBMUJFWSA-N 0 1 314.389 3.676 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cnn(C2CCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926891770 1030972466 /nfs/dbraw/zinc/97/24/66/1030972466.db2.gz KCWXFYLDQCSZFX-OLZOCXBDSA-N 0 1 314.389 3.928 20 5 DHBDMN Cc1cccc([C@H]2CC[N@@H+](Cc3cc([O-])ccc3[N+](=O)[O-])C2)c1 ZINC000559150377 1031139478 /nfs/dbraw/zinc/13/94/78/1031139478.db2.gz VDILGIBLAQXZLT-HNNXBMFYSA-N 0 1 312.369 3.598 20 5 DHBDMN C[C@@H](NCCCOC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027100 1031411614 /nfs/dbraw/zinc/41/16/14/1031411614.db2.gz BWVGODGTDFWLCP-GFCCVEGCSA-N 0 1 310.369 3.734 20 5 DHBDMN C[C@@H](NCC(C)(C)OCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078721 1031473877 /nfs/dbraw/zinc/47/38/77/1031473877.db2.gz IRSWZGZGOHUSAP-LLVKDONJSA-N 0 1 310.369 3.590 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872282453 1031576695 /nfs/dbraw/zinc/57/66/95/1031576695.db2.gz KWGBRLDKVKDYFE-INIZCTEOSA-N 0 1 322.380 3.658 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc([O-])c(Cl)c1 ZINC000873180079 1031745510 /nfs/dbraw/zinc/74/55/10/1031745510.db2.gz VQKJFVAHYVZHEX-UHFFFAOYSA-N 0 1 320.776 3.860 20 5 DHBDMN C[C@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954780 1032039627 /nfs/dbraw/zinc/03/96/27/1032039627.db2.gz PXUMZDBBFHELGG-AWEZNQCLSA-N 0 1 314.389 3.538 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]1c1cccnc1 ZINC000877522899 1033332541 /nfs/dbraw/zinc/33/25/41/1033332541.db2.gz DXPJGAISNGMDAG-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN CC(C)c1ccc(CN2CCC(C(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000877754989 1033431857 /nfs/dbraw/zinc/43/18/57/1033431857.db2.gz ZXTUMRMKRUUGPJ-UHFFFAOYSA-N 0 1 320.433 3.701 20 5 DHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1c(F)cc(F)cc1F ZINC001173219212 1033601043 /nfs/dbraw/zinc/60/10/43/1033601043.db2.gz YYTGAVBHRVXMLJ-JTQLQIEISA-N 0 1 324.302 3.733 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000800 1034178625 /nfs/dbraw/zinc/17/86/25/1034178625.db2.gz KXFPYIRUCCRRGU-GXFFZTMASA-N 0 1 302.296 3.930 20 5 DHBDMN CCOc1cc(F)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000865418383 1034637318 /nfs/dbraw/zinc/63/73/18/1034637318.db2.gz JITJLWSWFZPJOP-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(Cc1cccc2n[nH]cc21)C1CC1 ZINC000600111762 1034746531 /nfs/dbraw/zinc/74/65/31/1034746531.db2.gz LWEUQOQQZMVKKN-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN c1ccc2nc3c(cccc3Nc3ccc4nn[nH]c4c3)nc2c1 ZINC001176005378 1035182882 /nfs/dbraw/zinc/18/28/82/1035182882.db2.gz XYDFTIXDXVJNGW-UHFFFAOYSA-N 0 1 312.336 3.798 20 5 DHBDMN c1ccc2nc3c(cccc3Nc3ccc4n[nH]nc4c3)nc2c1 ZINC001176005378 1035182885 /nfs/dbraw/zinc/18/28/85/1035182885.db2.gz XYDFTIXDXVJNGW-UHFFFAOYSA-N 0 1 312.336 3.798 20 5 DHBDMN Cc1cc([C@@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC001176484197 1035278162 /nfs/dbraw/zinc/27/81/62/1035278162.db2.gz BUVJUFDVJNOJFG-KRWDZBQOSA-N 0 1 314.389 3.662 20 5 DHBDMN C[C@@H]1[C@@H](C)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089904021 1035784123 /nfs/dbraw/zinc/78/41/23/1035784123.db2.gz IJNBQLTZYIPSSE-QWHCGFSZSA-N 0 1 315.373 3.870 20 5 DHBDMN C[C@H]1CSCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000539841154 1035898439 /nfs/dbraw/zinc/89/84/39/1035898439.db2.gz RHVHFHMJWCJAGU-LBPRGKRZSA-N 0 1 318.398 3.792 20 5 DHBDMN COc1cc(CN(C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000485733594 1035921386 /nfs/dbraw/zinc/92/13/86/1035921386.db2.gz BBYXSXCEJSRCOK-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC/C(C)=C\c1ccccc1 ZINC000541385752 1036317949 /nfs/dbraw/zinc/31/79/49/1036317949.db2.gz IHHBBQKMTFOHFZ-UVTDQMKNSA-N 0 1 312.369 3.797 20 5 DHBDMN CS[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542000489 1036485664 /nfs/dbraw/zinc/48/56/64/1036485664.db2.gz NHHGADYUPTYJNJ-ZDUSSCGKSA-N 0 1 314.838 3.966 20 5 DHBDMN CC(C)N(Cc1cc(O)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001196285416 1036497176 /nfs/dbraw/zinc/49/71/76/1036497176.db2.gz LSIABZMRQYHCQD-UHFFFAOYSA-N 0 1 304.321 3.855 20 5 DHBDMN O=[N+]([O-])c1cc(F)c(CN2C[C@@H](C3CC3)C[C@H]2C2CC2)c(F)c1 ZINC001198277154 1036988461 /nfs/dbraw/zinc/98/84/61/1036988461.db2.gz BANSMONXXSGPNP-SJCJKPOMSA-N 0 1 322.355 3.884 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCCCC1 ZINC000774826006 1037019005 /nfs/dbraw/zinc/01/90/05/1037019005.db2.gz JZFNQSQCKPFORH-UHFFFAOYSA-N 0 1 307.350 3.515 20 5 DHBDMN COc1cc(CNC(C)(C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000492850283 1037042206 /nfs/dbraw/zinc/04/22/06/1037042206.db2.gz FTLMQMARQNVTKN-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN Cc1c(CN[C@H]2CCCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000322591622 1037224468 /nfs/dbraw/zinc/22/44/68/1037224468.db2.gz GHVVHJMDNMWXGH-KRWDZBQOSA-N 0 1 312.369 3.776 20 5 DHBDMN CCOc1ccc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000761521599 1037345693 /nfs/dbraw/zinc/34/56/93/1037345693.db2.gz IVMPTEPYLOCRQD-UHFFFAOYSA-N 0 1 320.776 3.937 20 5 DHBDMN CCc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1CC ZINC000489522210 1037469661 /nfs/dbraw/zinc/46/96/61/1037469661.db2.gz LJDKVJJDVSMCDR-UHFFFAOYSA-N 0 1 314.341 3.678 20 5 DHBDMN CC(C)CCOCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000490042578 1037593983 /nfs/dbraw/zinc/59/39/83/1037593983.db2.gz IWUVJKUASFMMMK-UHFFFAOYSA-N 0 1 306.406 3.622 20 5 DHBDMN CCCN(CCC)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000913058231 1037716580 /nfs/dbraw/zinc/71/65/80/1037716580.db2.gz UZXQABNQLYFMJK-UHFFFAOYSA-N 0 1 309.391 3.951 20 5 DHBDMN CCc1nc(C)c(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000494292761 1038040161 /nfs/dbraw/zinc/04/01/61/1038040161.db2.gz IZVHILVWABJMBW-WQLSENKSSA-N 0 1 315.373 3.647 20 5 DHBDMN Cc1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000760687598 1038282543 /nfs/dbraw/zinc/28/25/43/1038282543.db2.gz HMARUYGPZXAVTR-UHFFFAOYSA-N 0 1 319.792 3.977 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H](C)c2ccccc21 ZINC000588953978 1038417285 /nfs/dbraw/zinc/41/72/85/1038417285.db2.gz RTFKIXLBVATVAY-SJCJKPOMSA-N 0 1 312.369 3.942 20 5 DHBDMN Cc1cc2cn[nH]c2c(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000590549087 1038659956 /nfs/dbraw/zinc/65/99/56/1038659956.db2.gz AQHXAEIACSYNTF-UHFFFAOYSA-N 0 1 324.340 3.649 20 5 DHBDMN CCc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC)s1 ZINC000224744421 1038727805 /nfs/dbraw/zinc/72/78/05/1038727805.db2.gz DHMNTJINHNHDJD-UHFFFAOYSA-N 0 1 306.387 3.517 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC(Cc2ccsc2)C1 ZINC000598679108 1038820498 /nfs/dbraw/zinc/82/04/98/1038820498.db2.gz XIUZQBXXWKLWKE-HYXAFXHYSA-N 0 1 314.410 3.844 20 5 DHBDMN CC[C@@H](OCCNCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000593663794 1038993881 /nfs/dbraw/zinc/99/38/81/1038993881.db2.gz ASPXXSDNKLXCJU-OAHLLOKOSA-N 0 1 320.414 3.914 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(C2CC2)C2CC2)c1 ZINC000599600692 1039231285 /nfs/dbraw/zinc/23/12/85/1039231285.db2.gz WVAIJCBXRUILTN-UHFFFAOYSA-N 0 1 300.280 3.740 20 5 DHBDMN CCn1cc(CN(Cc2cccc([N+](=O)[O-])c2C)C(C)C)cn1 ZINC000593081304 1039426687 /nfs/dbraw/zinc/42/66/87/1039426687.db2.gz LZCGBIBYTCHFEF-UHFFFAOYSA-N 0 1 316.405 3.530 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000604564806 1039497919 /nfs/dbraw/zinc/49/79/19/1039497919.db2.gz LQQLBOZPYATZJD-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN COc1ccccc1[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489968 1039792217 /nfs/dbraw/zinc/79/22/17/1039792217.db2.gz IITRKPDVHWCYPI-BLLLJJGKSA-N 0 1 312.369 3.942 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495003 1039798026 /nfs/dbraw/zinc/79/80/26/1039798026.db2.gz JYQAXCUTEKTAKI-XPTSAGLGSA-N 0 1 301.346 3.538 20 5 DHBDMN COc1c(C)cccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594510057 1039812691 /nfs/dbraw/zinc/81/26/91/1039812691.db2.gz NZHPQICRYQUBDT-INIZCTEOSA-N 0 1 312.369 3.689 20 5 DHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1F ZINC000594020162 1039948633 /nfs/dbraw/zinc/94/86/33/1039948633.db2.gz ZBKYXBKUEPPSDT-OAHLLOKOSA-N 0 1 318.348 3.983 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000594026293 1039950735 /nfs/dbraw/zinc/95/07/35/1039950735.db2.gz IJASOMHFLJLWRP-UKRRQHHQSA-N 0 1 304.390 3.689 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OC2CCC2)C1 ZINC000594026291 1039951303 /nfs/dbraw/zinc/95/13/03/1039951303.db2.gz IJASOMHFLJLWRP-DZGCQCFKSA-N 0 1 304.390 3.689 20 5 DHBDMN CC1(C)C[C@@]1(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594996439 1040010089 /nfs/dbraw/zinc/01/00/89/1040010089.db2.gz NIQSLXVFAKRYJB-MRXNPFEDSA-N 0 1 317.414 3.997 20 5 DHBDMN CC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)c1ccncc1 ZINC000595029390 1040035736 /nfs/dbraw/zinc/03/57/36/1040035736.db2.gz XZSSURQOCFAMKB-LRDDRELGSA-N 0 1 315.373 3.800 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089268 1040074826 /nfs/dbraw/zinc/07/48/26/1040074826.db2.gz NBUPKCFQPFXZCD-MOPGFXCFSA-N 0 1 324.380 3.955 20 5 DHBDMN Cc1noc(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1[N+](=O)[O-] ZINC000595318222 1040109298 /nfs/dbraw/zinc/10/92/98/1040109298.db2.gz SLXWRFKCBVXFRO-GFCCVEGCSA-N 0 1 321.764 3.534 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](C4CCC4)C3)nc2c1 ZINC000595831556 1040264629 /nfs/dbraw/zinc/26/46/29/1040264629.db2.gz FTHDUDGOCWYCML-CYBMUJFWSA-N 0 1 315.373 3.748 20 5 DHBDMN Cc1cc(N(C)CC2=CCSC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000596552549 1040485903 /nfs/dbraw/zinc/48/59/03/1040485903.db2.gz FIXUYDDFYONPDN-UHFFFAOYSA-N 0 1 315.398 3.561 20 5 DHBDMN CC(C)c1cccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000597118007 1040655508 /nfs/dbraw/zinc/65/55/08/1040655508.db2.gz SZNWHCHPRMXRAO-UHFFFAOYSA-N 0 1 324.384 3.884 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC(Cc3nccs3)CC2)c1 ZINC000602733188 1041188007 /nfs/dbraw/zinc/18/80/07/1041188007.db2.gz KUAGWFMCQGUDDH-UHFFFAOYSA-N 0 1 317.414 3.506 20 5 DHBDMN Cc1cnc(Nc2ccn([C@H](C)c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000610735281 435356107 /nfs/dbraw/zinc/35/61/07/435356107.db2.gz SWOAQBTVDWCIIK-CYBMUJFWSA-N 0 1 323.356 3.848 20 5 DHBDMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993938 334367240 /nfs/dbraw/zinc/36/72/40/334367240.db2.gz QIKZJTRWKPRFSZ-YOEHRIQHSA-N 0 1 314.385 3.596 20 5 DHBDMN CCCc1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000346853562 335446485 /nfs/dbraw/zinc/44/64/85/335446485.db2.gz BKDSNTOBBNAOAF-UHFFFAOYSA-N 0 1 300.314 3.505 20 5 DHBDMN CC(=O)c1ccc(NCc2nc3ccc(C)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000351857643 336074026 /nfs/dbraw/zinc/07/40/26/336074026.db2.gz YBUPEONVRCBHIZ-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970729 336184379 /nfs/dbraw/zinc/18/43/79/336184379.db2.gz ICPYBEUIUKUCJL-UHFFFAOYSA-N 0 1 306.387 3.687 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353631983 336430282 /nfs/dbraw/zinc/43/02/82/336430282.db2.gz RDIDSXANCFLXEI-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN Cc1cc(N(C)Cc2cnccc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000360108309 336702073 /nfs/dbraw/zinc/70/20/73/336702073.db2.gz PEQWWWFPIARJTQ-UHFFFAOYSA-N 0 1 322.368 3.791 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CSC)C1 ZINC000429295695 337271816 /nfs/dbraw/zinc/27/18/16/337271816.db2.gz QQMPFVPPSCYJDD-ZDUSSCGKSA-N 0 1 324.446 3.569 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000125458531 337411848 /nfs/dbraw/zinc/41/18/48/337411848.db2.gz KNEQLYHRXIHXIZ-UHFFFAOYSA-N 0 1 318.417 3.909 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCCc2ccccc2C1 ZINC000430211090 338101603 /nfs/dbraw/zinc/10/16/03/338101603.db2.gz WVUNUBDOTWOCHH-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@@H]3Cc3ccccc3)nc2c1 ZINC000437827963 338322786 /nfs/dbraw/zinc/32/27/86/338322786.db2.gz IEEMTUPYSBLTIS-CQSZACIVSA-N 0 1 323.352 3.553 20 5 DHBDMN CC(C)[C@@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1F ZINC000438472556 338345093 /nfs/dbraw/zinc/34/50/93/338345093.db2.gz PTDSDZZOVNBPEU-GFCCVEGCSA-N 0 1 308.275 3.801 20 5 DHBDMN CO[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000467386259 339235995 /nfs/dbraw/zinc/23/59/95/339235995.db2.gz UWHIITPQOGRUDO-GUYCJALGSA-N 0 1 306.406 3.575 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCc2ccc(O)cc2C1 ZINC000470169976 339312598 /nfs/dbraw/zinc/31/25/98/339312598.db2.gz MSDYSFZMOMPOQH-ZROIWOOFSA-N 0 1 324.380 3.762 20 5 DHBDMN CCCc1nc(C)c(CNC/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000492334881 339898037 /nfs/dbraw/zinc/89/80/37/339898037.db2.gz QGXYQJAIRUPQEX-TWGQIWQCSA-N 0 1 315.373 3.647 20 5 DHBDMN CC[N@H+](Cc1ccccc1C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000507122920 340208386 /nfs/dbraw/zinc/20/83/86/340208386.db2.gz VZRYZLPJLQHSHJ-UHFFFAOYSA-N 0 1 300.358 3.631 20 5 DHBDMN CC[N@@H+](Cc1ccccc1C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000507122920 340208387 /nfs/dbraw/zinc/20/83/87/340208387.db2.gz VZRYZLPJLQHSHJ-UHFFFAOYSA-N 0 1 300.358 3.631 20 5 DHBDMN CC(C)c1ccc(CN(C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000511667951 340334669 /nfs/dbraw/zinc/33/46/69/340334669.db2.gz QNQBZYWJZWLLOI-HNNXBMFYSA-N 0 1 306.406 3.719 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1cccs1)C1CC1 ZINC000542519283 341011738 /nfs/dbraw/zinc/01/17/38/341011738.db2.gz ZORHNPPREFCYHI-MRXNPFEDSA-N 0 1 318.398 3.906 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CCOCc1ccccc1 ZINC000542702877 341018199 /nfs/dbraw/zinc/01/81/99/341018199.db2.gz XRPWXMOCFQUQKF-UHFFFAOYSA-N 0 1 314.385 3.552 20 5 DHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C)c1cccc(O)c1 ZINC000080932028 341276872 /nfs/dbraw/zinc/27/68/72/341276872.db2.gz PFZVXDKTAGCRRG-CYBMUJFWSA-N 0 1 300.358 3.884 20 5 DHBDMN C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549845231 341304918 /nfs/dbraw/zinc/30/49/18/341304918.db2.gz HXOYPVJSOJSFLK-HIFRSBDPSA-N 0 1 312.369 3.678 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931253 341327061 /nfs/dbraw/zinc/32/70/61/341327061.db2.gz BZCCMVREZISRGB-CXAGYDPISA-N 0 1 312.369 3.825 20 5 DHBDMN COC[C@H]1CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552315347 341385839 /nfs/dbraw/zinc/38/58/39/341385839.db2.gz MYCPSMURSLUZPR-GFCCVEGCSA-N 0 1 318.398 3.544 20 5 DHBDMN COC[C@H]1CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552315347 341385840 /nfs/dbraw/zinc/38/58/40/341385840.db2.gz MYCPSMURSLUZPR-GFCCVEGCSA-N 0 1 318.398 3.544 20 5 DHBDMN O=[N+]([O-])c1cccc([C@H](NCC2=CCCOC2)c2ccccc2)c1 ZINC000554358968 341451030 /nfs/dbraw/zinc/45/10/30/341451030.db2.gz LNKGXOFRUVMRCS-LJQANCHMSA-N 0 1 324.380 3.621 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1ccccc1 ZINC000263647793 341574646 /nfs/dbraw/zinc/57/46/46/341574646.db2.gz AWEJGHDVJULEOU-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN COc1cccc(C2(N[C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)c1 ZINC000568901100 341685002 /nfs/dbraw/zinc/68/50/02/341685002.db2.gz MAMIRFHHOQLOHO-KRWDZBQOSA-N 0 1 324.380 3.870 20 5 DHBDMN CCN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCc2cccnc21 ZINC000364998082 521354788 /nfs/dbraw/zinc/35/47/88/521354788.db2.gz FDYUDOYBFHVTHS-KRWDZBQOSA-N 0 1 311.385 3.889 20 5 DHBDMN CC[C@H](NCc1cc(F)ccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000181546866 522641258 /nfs/dbraw/zinc/64/12/58/522641258.db2.gz CKGOHEVVMUPYSG-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN CC[C@H](N[C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161616676 522703633 /nfs/dbraw/zinc/70/36/33/522703633.db2.gz DTCMIALQZKLFBO-LRDDRELGSA-N 0 1 302.378 3.613 20 5 DHBDMN CC[C@@H](N[C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161617074 522939919 /nfs/dbraw/zinc/93/99/19/522939919.db2.gz DTCMIALQZKLFBO-MLGOLLRUSA-N 0 1 302.378 3.613 20 5 DHBDMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236588 523460277 /nfs/dbraw/zinc/46/02/77/523460277.db2.gz JLSKSOIVOCHPIX-QWHCGFSZSA-N 0 1 302.378 3.531 20 5 DHBDMN COc1ccccc1[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000158093515 524759943 /nfs/dbraw/zinc/75/99/43/524759943.db2.gz PTSXUWRIXWMNAE-CYBMUJFWSA-N 0 1 318.398 3.654 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000191351070 525899687 /nfs/dbraw/zinc/89/96/87/525899687.db2.gz QMIDJUNAFYNKDU-GFCCVEGCSA-N 0 1 302.378 3.531 20 5 DHBDMN C[C@H](Sc1nc(C(C)(C)C)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000266215414 526011538 /nfs/dbraw/zinc/01/15/38/526011538.db2.gz BZFGJOHHYXUWNW-VIFPVBQESA-N 0 1 306.391 3.864 20 5 DHBDMN CSc1ccccc1[C@H](C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000337311106 526192669 /nfs/dbraw/zinc/19/26/69/526192669.db2.gz UZWHAEVMZKMBBF-NSHDSACASA-N 0 1 318.398 3.873 20 5 DHBDMN COCC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452021 536810196 /nfs/dbraw/zinc/81/01/96/536810196.db2.gz MQGYFQGHUXFQEP-IUODEOHRSA-N 0 1 304.346 3.616 20 5 DHBDMN CC[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000091929205 1014103318 /nfs/dbraw/zinc/10/33/18/1014103318.db2.gz JSVBGDUGNBJZQN-GFCCVEGCSA-N 0 1 317.414 3.950 20 5 DHBDMN Cc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000021807587 1014478833 /nfs/dbraw/zinc/47/88/33/1014478833.db2.gz RTKZVJMXORSCBO-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000175984397 1014625144 /nfs/dbraw/zinc/62/51/44/1014625144.db2.gz GWFDCUKWTDDZNA-UHFFFAOYSA-N 0 1 315.329 3.528 20 5 DHBDMN CCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@H](C)CC ZINC000521072006 1014637599 /nfs/dbraw/zinc/63/75/99/1014637599.db2.gz IYEJWTHESIYPJV-LLVKDONJSA-N 0 1 318.377 3.512 20 5 DHBDMN O=[N+]([O-])c1ccc(Sc2nc3ccc(Cl)cc3[nH]2)nc1 ZINC000142301309 1014734296 /nfs/dbraw/zinc/73/42/96/1014734296.db2.gz MXZIQOYVNGWPBP-UHFFFAOYSA-N 0 1 306.734 3.671 20 5 DHBDMN C[C@H](c1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCCCC1 ZINC000276205660 1014840106 /nfs/dbraw/zinc/84/01/06/1014840106.db2.gz OCKBBAJDWASEPV-GFCCVEGCSA-N 0 1 316.361 3.582 20 5 DHBDMN CN(Cc1cccc([N+](=O)[O-])c1Br)C1CCCC1 ZINC000234322051 1015166387 /nfs/dbraw/zinc/16/63/87/1015166387.db2.gz IIGCNFWHGSXBOX-UHFFFAOYSA-N 0 1 313.195 3.732 20 5 DHBDMN COc1ccc(CN2CCC[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000051180455 1015254120 /nfs/dbraw/zinc/25/41/20/1015254120.db2.gz ADHFVIUBSPRYIG-MRXNPFEDSA-N 0 1 312.369 3.941 20 5 DHBDMN CC(C)[N@@H+](CCc1nccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179048736 1015419086 /nfs/dbraw/zinc/41/90/86/1015419086.db2.gz SITZEOQHEMWLNA-UHFFFAOYSA-N 0 1 323.393 3.644 20 5 DHBDMN CC(C)N(CCc1nccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000179048736 1015419094 /nfs/dbraw/zinc/41/90/94/1015419094.db2.gz SITZEOQHEMWLNA-UHFFFAOYSA-N 0 1 323.393 3.644 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]4CCC[C@H]43)nc2c1 ZINC000610582576 1015632792 /nfs/dbraw/zinc/63/27/92/1015632792.db2.gz AQNUDDXRQQGNAJ-SMDDNHRTSA-N 0 1 301.346 3.501 20 5 DHBDMN Cc1cnc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000277485232 1016390246 /nfs/dbraw/zinc/39/02/46/1016390246.db2.gz MZIDDYWMENWFQJ-UHFFFAOYSA-N 0 1 317.414 3.739 20 5 DHBDMN Cc1nn(C(C)C)cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281440016 1016521659 /nfs/dbraw/zinc/52/16/59/1016521659.db2.gz SAKLJARJBIAYIL-GFCCVEGCSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)Cc1cccc(O)c1 ZINC000537606525 1032215891 /nfs/dbraw/zinc/21/58/91/1032215891.db2.gz OXXNGRIUFCDKDQ-CYBMUJFWSA-N 0 1 300.358 3.802 20 5 DHBDMN CSC[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119372437 1032287277 /nfs/dbraw/zinc/28/72/77/1032287277.db2.gz YGXNQCPOGLNONO-SNVBAGLBSA-N 0 1 300.811 3.576 20 5 DHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121480 1032564534 /nfs/dbraw/zinc/56/45/34/1032564534.db2.gz RIIXFKCHTVGWNH-RYUDHWBXSA-N 0 1 303.362 3.733 20 5 DHBDMN CN(Cc1ccccc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000350097252 1012443590 /nfs/dbraw/zinc/44/35/90/1012443590.db2.gz GPDLAOFYJUDVRI-UHFFFAOYSA-N 0 1 306.749 3.586 20 5 DHBDMN CCCc1ccc(CNCc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000609222394 1012876546 /nfs/dbraw/zinc/87/65/46/1012876546.db2.gz HDMPOFKJXYMNRQ-UHFFFAOYSA-N 0 1 314.385 3.846 20 5 DHBDMN Cc1ccc(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475287029 1017117723 /nfs/dbraw/zinc/11/77/23/1017117723.db2.gz MMVJRIWNPFXZTI-JQWIXIFHSA-N 0 1 302.296 3.676 20 5 DHBDMN CC[C@H](Nc1cnn(-c2ccncc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611480933 1017219776 /nfs/dbraw/zinc/21/97/76/1017219776.db2.gz WTNQIFYAGQMOBO-KRWDZBQOSA-N 0 1 323.356 3.739 20 5 DHBDMN Cc1cc(C)cc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444687861 1017614886 /nfs/dbraw/zinc/61/48/86/1017614886.db2.gz HKYVIMKRFUTPDL-ZDUSSCGKSA-N 0 1 324.384 3.939 20 5 DHBDMN CC(C)C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444643237 1017616616 /nfs/dbraw/zinc/61/66/16/1017616616.db2.gz TXXZWNIPKYWNDY-CYBMUJFWSA-N 0 1 316.405 3.729 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@H](CCF)C2)c1 ZINC000701926036 1018123225 /nfs/dbraw/zinc/12/32/25/1018123225.db2.gz XUUUSXGFICOEKS-LLVKDONJSA-N 0 1 300.761 3.820 20 5 DHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(F)c1 ZINC000187960398 1019079913 /nfs/dbraw/zinc/07/99/13/1019079913.db2.gz OTENKRLPEXIAOD-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN C[C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000092471207 1019513011 /nfs/dbraw/zinc/51/30/11/1019513011.db2.gz VJGGOIKQOXETQD-NSHDSACASA-N 0 1 303.387 3.560 20 5 DHBDMN C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000114489167 1019515287 /nfs/dbraw/zinc/51/52/87/1019515287.db2.gz YNVAEKBYVMBAJG-HNNXBMFYSA-N 0 1 302.399 3.646 20 5 DHBDMN CN(Cc1csc([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 ZINC000114489167 1019515300 /nfs/dbraw/zinc/51/53/00/1019515300.db2.gz YNVAEKBYVMBAJG-HNNXBMFYSA-N 0 1 302.399 3.646 20 5 DHBDMN Cc1cc(NCc2ncccc2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302180221 1020417666 /nfs/dbraw/zinc/41/76/66/1020417666.db2.gz NRZAPDNHLNXWCJ-UHFFFAOYSA-N 0 1 308.341 3.767 20 5 DHBDMN C[C@@H]1C[C@H](C)N(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000740860736 1020954474 /nfs/dbraw/zinc/95/44/74/1020954474.db2.gz RJSVNIHYZCMGAE-ZJUUUORDSA-N 0 1 307.375 3.560 20 5 DHBDMN COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952495 1032951514 /nfs/dbraw/zinc/95/15/14/1032951514.db2.gz HZJWNZJSLRQMPE-RDTXWAMCSA-N 0 1 314.385 3.942 20 5 DHBDMN Cc1cc(NC2C[C@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181537659 1021236142 /nfs/dbraw/zinc/23/61/42/1021236142.db2.gz XGASXZDPQYUVFC-RYUDHWBXSA-N 0 1 315.373 3.819 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN(CCc1ccccc1)C1CC1 ZINC000746119344 1021859770 /nfs/dbraw/zinc/85/97/70/1021859770.db2.gz UOJSYRUPSYPUGD-UHFFFAOYSA-N 0 1 314.360 3.941 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)cc1F ZINC000852594145 1022146090 /nfs/dbraw/zinc/14/60/90/1022146090.db2.gz AASVSGBRFSWOGE-YOEHRIQHSA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852598749 1022147898 /nfs/dbraw/zinc/14/78/98/1022147898.db2.gz YNXOJINPNQGFSP-GUYCJALGSA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(C[C@H]2CC[C@H](C3CC3)O2)C2CC2)c1 ZINC001167735353 1022227972 /nfs/dbraw/zinc/22/79/72/1022227972.db2.gz ZUEZOMHFZJCUDS-QZTJIDSGSA-N 0 1 316.401 3.517 20 5 DHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416294620 1022241998 /nfs/dbraw/zinc/24/19/98/1022241998.db2.gz SAWXAXSXIUQYIV-LSDHHAIUSA-N 0 1 320.389 3.587 20 5 DHBDMN CC[N@H+](Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000233460932 1022338755 /nfs/dbraw/zinc/33/87/55/1022338755.db2.gz STASNBQMIRRABQ-UHFFFAOYSA-N 0 1 313.195 3.589 20 5 DHBDMN CCN(Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000233460932 1022338763 /nfs/dbraw/zinc/33/87/63/1022338763.db2.gz STASNBQMIRRABQ-UHFFFAOYSA-N 0 1 313.195 3.589 20 5 DHBDMN CC[C@@]1(CO)CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190211357 1022342629 /nfs/dbraw/zinc/34/26/29/1022342629.db2.gz AWTVZYAOKCBTQL-GOSISDBHSA-N 0 1 320.433 3.703 20 5 DHBDMN CN(CCSc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000609798228 1022349757 /nfs/dbraw/zinc/34/97/57/1022349757.db2.gz JXEUKILNCKXCHE-UHFFFAOYSA-N 0 1 302.399 3.819 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccc(C)s2)c([N+](=O)[O-])cc1F ZINC000766894148 1022606481 /nfs/dbraw/zinc/60/64/81/1022606481.db2.gz PRPWNDZENCHDEE-SNVBAGLBSA-N 0 1 324.377 3.963 20 5 DHBDMN Cc1cc([C@H]2CCCN2Cc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000876617276 1033106915 /nfs/dbraw/zinc/10/69/15/1033106915.db2.gz JAZANYCGNXJVTN-MRXNPFEDSA-N 0 1 315.373 3.845 20 5 DHBDMN CSC[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000312726427 1023141679 /nfs/dbraw/zinc/14/16/79/1023141679.db2.gz RSFDPLAJZCNIAL-GFCCVEGCSA-N 0 1 314.838 3.823 20 5 DHBDMN C[C@@H]1C[C@H](C)CN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769471259 1023161893 /nfs/dbraw/zinc/16/18/93/1023161893.db2.gz RNMAZLFRYQOEAJ-VHSXEESVSA-N 0 1 313.195 3.588 20 5 DHBDMN Cc1ccc(OCCN(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788470263 1023890159 /nfs/dbraw/zinc/89/01/59/1023890159.db2.gz PABHWOPVVXCNOO-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN CCS[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000788482754 1023900375 /nfs/dbraw/zinc/90/03/75/1023900375.db2.gz NKOPNOXAINIQMA-ZDUSSCGKSA-N 0 1 312.410 3.842 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000788972873 1023957698 /nfs/dbraw/zinc/95/76/98/1023957698.db2.gz JHRNJLCAUSZKFF-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN CC1(C)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CCS1 ZINC000789339269 1024053576 /nfs/dbraw/zinc/05/35/76/1024053576.db2.gz BCMFAGVSZAHSRP-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736556 1024286661 /nfs/dbraw/zinc/28/66/61/1024286661.db2.gz XLZFZRDSFYOFQA-PBHICJAKSA-N 0 1 314.385 3.596 20 5 DHBDMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736559 1024288745 /nfs/dbraw/zinc/28/87/45/1024288745.db2.gz XLZFZRDSFYOFQA-YOEHRIQHSA-N 0 1 314.385 3.596 20 5 DHBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccsc1 ZINC000453107760 1024336986 /nfs/dbraw/zinc/33/69/86/1024336986.db2.gz LWMDKGGLSZNRDZ-AWEZNQCLSA-N 0 1 306.387 3.906 20 5 DHBDMN CC(C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270703723 1024421551 /nfs/dbraw/zinc/42/15/51/1024421551.db2.gz JDFZLIWPYHGOGU-QMMMGPOBSA-N 0 1 309.757 3.663 20 5 DHBDMN C[C@@H]1CC[C@@H](C)N1Cc1ccc([N+](=O)[O-])cc1Br ZINC001320408483 1024440966 /nfs/dbraw/zinc/44/09/66/1024440966.db2.gz KIJPYIMXPFWUCU-NXEZZACHSA-N 0 1 313.195 3.730 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000453299415 1024447462 /nfs/dbraw/zinc/44/74/62/1024447462.db2.gz VJGPBZYYLPIIKT-ZDUSSCGKSA-N 0 1 315.373 3.548 20 5 DHBDMN CCOc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cc1F ZINC000106244452 1024484985 /nfs/dbraw/zinc/48/49/85/1024484985.db2.gz FUQFEKVFJLDNCA-UHFFFAOYSA-N 0 1 318.348 3.731 20 5 DHBDMN CN(C)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000791409851 1024492317 /nfs/dbraw/zinc/49/23/17/1024492317.db2.gz UWKBNJGBDYBJLY-ZDUSSCGKSA-N 0 1 309.753 3.556 20 5 DHBDMN CCn1cc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044015 1024671767 /nfs/dbraw/zinc/67/17/67/1024671767.db2.gz NIKNWBPNPHCUPS-QWHCGFSZSA-N 0 1 302.378 3.531 20 5 DHBDMN CCC1CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728899191 1024862166 /nfs/dbraw/zinc/86/21/66/1024862166.db2.gz PTLZIBWQEBHTBB-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN CN1Cc2ccccc2[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804576724 1025374417 /nfs/dbraw/zinc/37/44/17/1025374417.db2.gz CFGGDCKEXLCDCX-HNNXBMFYSA-N 0 1 317.776 3.847 20 5 DHBDMN CCc1nc(CNC[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000897468845 1025384743 /nfs/dbraw/zinc/38/47/43/1025384743.db2.gz ADFLAZKXACXDIP-NSHDSACASA-N 0 1 305.403 3.507 20 5 DHBDMN O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)CC1CCCC1)C1CC1 ZINC000354731857 1025493225 /nfs/dbraw/zinc/49/32/25/1025493225.db2.gz LSWYSTWWLHKAFB-QGZVFWFLSA-N 0 1 318.417 3.500 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)CC1CCCC1)C1CC1 ZINC000354731857 1025493229 /nfs/dbraw/zinc/49/32/29/1025493229.db2.gz LSWYSTWWLHKAFB-QGZVFWFLSA-N 0 1 318.417 3.500 20 5 DHBDMN CC[C@@](C)(NCc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886303844 1025584928 /nfs/dbraw/zinc/58/49/28/1025584928.db2.gz HNCPXLJGBVFVMB-MRXNPFEDSA-N 0 1 303.337 3.544 20 5 DHBDMN CC[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000886920601 1025982111 /nfs/dbraw/zinc/98/21/11/1025982111.db2.gz COYVUONEDKEPGZ-KRWDZBQOSA-N 0 1 324.384 3.722 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCc3c2cccc3F)cc1F ZINC000886927547 1025985391 /nfs/dbraw/zinc/98/53/91/1025985391.db2.gz LLKZWANKPWMGNU-OAHLLOKOSA-N 0 1 304.296 3.650 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc2c(c1)OCO2 ZINC000025448377 1026297292 /nfs/dbraw/zinc/29/72/92/1026297292.db2.gz YJOIARNXHGUKIL-GFCCVEGCSA-N 0 1 314.341 3.517 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(Cc1cccc(O)c1)CC1CC1 ZINC000120629844 1026342534 /nfs/dbraw/zinc/34/25/34/1026342534.db2.gz JITMBYQVKDYEDN-UHFFFAOYSA-N 0 1 312.369 3.713 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000237252120 1027040981 /nfs/dbraw/zinc/04/09/81/1027040981.db2.gz HVQSQRVQPUMHPK-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN Cc1c(CNCc2ccc(Cl)c(F)c2)cccc1[N+](=O)[O-] ZINC000231883628 1027128726 /nfs/dbraw/zinc/12/87/26/1027128726.db2.gz WCSRFDUWXTXXFW-UHFFFAOYSA-N 0 1 308.740 3.986 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ccncc3)C2)c(F)c1 ZINC000296047854 1027525992 /nfs/dbraw/zinc/52/59/92/1027525992.db2.gz TXDBVNYAIYJALN-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](C(F)(F)F)C1 ZINC000778949887 1027634649 /nfs/dbraw/zinc/63/46/49/1027634649.db2.gz DFQFQJNWURGQOX-WDEREUQCSA-N 0 1 302.296 3.848 20 5 DHBDMN COc1ccc([C@@H](C)N(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000023004777 1027765451 /nfs/dbraw/zinc/76/54/51/1027765451.db2.gz IEBBABXYRSAXNB-CYBMUJFWSA-N 0 1 300.358 3.796 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN(CC1CC1)c1cccc(F)c1 ZINC000600856844 1027868460 /nfs/dbraw/zinc/86/84/60/1027868460.db2.gz RGJNLLXRTIEKLN-UHFFFAOYSA-N 0 1 316.332 3.856 20 5 DHBDMN CCOc1ccc([C@H](C)N[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000601306762 1028071202 /nfs/dbraw/zinc/07/12/02/1028071202.db2.gz QMXSEEMXUOSLTB-JMJZKYOTSA-N 0 1 318.295 3.595 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccncc2)C2CC2)ccc1Cl ZINC000934695577 1028077762 /nfs/dbraw/zinc/07/77/62/1028077762.db2.gz PGBDMAFCFVEGIR-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN Cc1nc([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119672 1028375542 /nfs/dbraw/zinc/37/55/42/1028375542.db2.gz AMFRPCXSCUDDCV-MNOVXSKESA-N 0 1 305.403 3.642 20 5 DHBDMN Cc1nc([C@@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119677 1028378154 /nfs/dbraw/zinc/37/81/54/1028378154.db2.gz AMFRPCXSCUDDCV-WDEREUQCSA-N 0 1 305.403 3.642 20 5 DHBDMN O=[N+]([O-])c1cc(CNc2cc3c(cn2)CCC3)ccc1Cl ZINC000815159362 1028387348 /nfs/dbraw/zinc/38/73/48/1028387348.db2.gz RLLUKIKOZIOTQI-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCCc2cccnc21 ZINC000372764465 1028896730 /nfs/dbraw/zinc/89/67/30/1028896730.db2.gz LASUJBVYNLJFFB-KRWDZBQOSA-N 0 1 311.385 3.808 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000372876403 1028914785 /nfs/dbraw/zinc/91/47/85/1028914785.db2.gz IHDQGPWNIWALII-MRXNPFEDSA-N 0 1 316.332 3.656 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CC[C@@]3(C2)CCc2ccccc2O3)c1 ZINC000571008043 1029443414 /nfs/dbraw/zinc/44/34/14/1029443414.db2.gz JEVRQGIXHXTQRJ-LJQANCHMSA-N 0 1 324.380 3.565 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](O)c2ccccc2C1 ZINC000374806654 1029464560 /nfs/dbraw/zinc/46/45/60/1029464560.db2.gz MUFCOEFAANMEKX-ACJLOTCBSA-N 0 1 312.369 3.595 20 5 DHBDMN CC(C)(C)OCCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000530389394 1029832519 /nfs/dbraw/zinc/83/25/19/1029832519.db2.gz OOWYGFYQBBRQNN-UHFFFAOYSA-N 0 1 306.406 3.548 20 5 DHBDMN CCC[C@H](N[C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612521 1030401937 /nfs/dbraw/zinc/40/19/37/1030401937.db2.gz KMOOODHYUZHYKP-DOMZBBRYSA-N 0 1 302.378 3.520 20 5 DHBDMN Cc1c(CNC2(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] ZINC000533526930 1030406060 /nfs/dbraw/zinc/40/60/60/1030406060.db2.gz SGWRQCUPDCCPBF-UHFFFAOYSA-N 0 1 300.333 3.821 20 5 DHBDMN Cc1coc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cc12 ZINC000359545257 1031018394 /nfs/dbraw/zinc/01/83/94/1031018394.db2.gz RJZOIQIJORDBMZ-UHFFFAOYSA-N 0 1 312.281 3.607 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCCc2cccnc21 ZINC000927063300 1031063305 /nfs/dbraw/zinc/06/33/05/1031063305.db2.gz CWBXDZZDCSSBEK-HOTGVXAUSA-N 0 1 309.369 3.644 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc3c1OCC3)CCC2 ZINC000927089759 1031082591 /nfs/dbraw/zinc/08/25/91/1031082591.db2.gz DTPQQDBIAAEYCR-GOSISDBHSA-N 0 1 324.380 3.697 20 5 DHBDMN COCC(C)(C)N(C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000795187486 1031304448 /nfs/dbraw/zinc/30/44/48/1031304448.db2.gz IHCPWYVZJLFMLR-UHFFFAOYSA-N 0 1 321.204 3.758 20 5 DHBDMN Cc1noc(C)c1[C@H](C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053905 1031442420 /nfs/dbraw/zinc/44/24/20/1031442420.db2.gz YLVYECSCSFRTEH-NXEZZACHSA-N 0 1 321.352 3.793 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000872092528 1031489869 /nfs/dbraw/zinc/48/98/69/1031489869.db2.gz OMUMBTIBJHLIHH-WHGOUJPWSA-N 0 1 320.336 3.918 20 5 DHBDMN CC(C)OC1(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872117068 1031509952 /nfs/dbraw/zinc/50/99/52/1031509952.db2.gz YKEYMPQIWQNZIK-GFCCVEGCSA-N 0 1 310.369 3.732 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(Cl)nc1 ZINC000873016757 1031693356 /nfs/dbraw/zinc/69/33/56/1031693356.db2.gz RCRKDFFXUSKUQR-UHFFFAOYSA-N 0 1 305.765 3.550 20 5 DHBDMN COc1cc(C[N@@H+](C)C2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000361611176 1032013590 /nfs/dbraw/zinc/01/35/90/1032013590.db2.gz QNSURWYYYZPOLC-UHFFFAOYSA-N 0 1 310.369 3.753 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccncc2)C2CC2)cc1Cl ZINC000898321887 1032020995 /nfs/dbraw/zinc/02/09/95/1032020995.db2.gz DRSVZJCQTOSVKH-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CNc3ccc4c(n3)CCCC4)nc2c1 ZINC000877827924 1033476207 /nfs/dbraw/zinc/47/62/07/1033476207.db2.gz ABMADXGYWHHPDH-UHFFFAOYSA-N 0 1 324.340 3.622 20 5 DHBDMN CCCN(CC)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000878002200 1033547547 /nfs/dbraw/zinc/54/75/47/1033547547.db2.gz QGBHMNSLDJDXCT-UHFFFAOYSA-N 0 1 324.768 3.530 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CC3CCC2CC3)c1F ZINC001173195451 1033586964 /nfs/dbraw/zinc/58/69/64/1033586964.db2.gz GBYAIFVYYHRZCW-HIFPTAJRSA-N 0 1 322.380 3.548 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCSCC3)CC2)cc1F ZINC000879199893 1033950219 /nfs/dbraw/zinc/95/02/19/1033950219.db2.gz BHQZEMMHSWNUBQ-UHFFFAOYSA-N 0 1 324.421 3.843 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](C)(C(F)(F)F)C1 ZINC000880000804 1034177705 /nfs/dbraw/zinc/17/77/05/1034177705.db2.gz KXFPYIRUCCRRGU-ZWNOBZJWSA-N 0 1 302.296 3.930 20 5 DHBDMN Cc1nccc(N2CCc3c(cccc3[N+](=O)[O-])C2)c1Cl ZINC000554592794 1034230974 /nfs/dbraw/zinc/23/09/74/1034230974.db2.gz RWYIDAIZKVXHOF-UHFFFAOYSA-N 0 1 303.749 3.514 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccccc2C)c([N+](=O)[O-])cc1F ZINC000184298241 1034463068 /nfs/dbraw/zinc/46/30/68/1034463068.db2.gz MZOJUFHXUQPWNY-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000555422291 1034690300 /nfs/dbraw/zinc/69/03/00/1034690300.db2.gz SDYZMKQGHRNBGP-CYBMUJFWSA-N 0 1 303.406 3.564 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000159855745 1035097573 /nfs/dbraw/zinc/09/75/73/1035097573.db2.gz GZCPVAPJIBVGIT-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN Cc1ccc2nc(CN[C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000483859215 1035306019 /nfs/dbraw/zinc/30/60/19/1035306019.db2.gz XKCCDPYRFCDRQF-ZDUSSCGKSA-N 0 1 324.384 3.939 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000924799732 1035434462 /nfs/dbraw/zinc/43/44/62/1035434462.db2.gz UGYYBSWXQCKBCJ-QWHCGFSZSA-N 0 1 314.389 3.928 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cccc(N(C)C)c1 ZINC000535553046 1035688166 /nfs/dbraw/zinc/68/81/66/1035688166.db2.gz GIKNKLPDFYBBMY-CQSZACIVSA-N 0 1 313.401 3.854 20 5 DHBDMN CC[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883217 1035760296 /nfs/dbraw/zinc/76/02/96/1035760296.db2.gz WEUAZJJLVQZTCQ-CYBMUJFWSA-N 0 1 315.373 3.872 20 5 DHBDMN COc1cc(CN2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000485748449 1035937682 /nfs/dbraw/zinc/93/76/82/1035937682.db2.gz XDLPWHMJYLIFAE-MRXNPFEDSA-N 0 1 312.369 3.941 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000027211591 1036218061 /nfs/dbraw/zinc/21/80/61/1036218061.db2.gz AQLQYEKHUOOWAR-LBPRGKRZSA-N 0 1 318.348 3.936 20 5 DHBDMN COc1ccc2c(c1)CCCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000609133927 1036396117 /nfs/dbraw/zinc/39/61/17/1036396117.db2.gz LXQKNUWWZUIEMZ-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCOc1ccccc1F ZINC000541774004 1036422986 /nfs/dbraw/zinc/42/29/86/1036422986.db2.gz HQQVUIPKINGVHR-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)CCOc1ccccc1F ZINC000541774004 1036422995 /nfs/dbraw/zinc/42/29/95/1036422995.db2.gz HQQVUIPKINGVHR-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC001196328456 1036503943 /nfs/dbraw/zinc/50/39/43/1036503943.db2.gz AEASWSVNUYCBHQ-OAHLLOKOSA-N 0 1 304.390 3.845 20 5 DHBDMN CCN(CCNc1cc(C)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491800343 1036642394 /nfs/dbraw/zinc/64/23/94/1036642394.db2.gz ASGXKVJBKZVSPC-UHFFFAOYSA-N 0 1 319.327 3.589 20 5 DHBDMN Cc1ccn2c(CNC(C)(C)c3ccccc3[N+](=O)[O-])cnc2c1 ZINC000492330904 1036829229 /nfs/dbraw/zinc/82/92/29/1036829229.db2.gz BWJYOGCXIQOIOR-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN CCC1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774837466 1037056569 /nfs/dbraw/zinc/05/65/69/1037056569.db2.gz XTODSJJAWAWKBT-UHFFFAOYSA-N 0 1 321.377 3.904 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](C(C)(C)C)CC1 ZINC001198800932 1037138487 /nfs/dbraw/zinc/13/84/87/1037138487.db2.gz NNWMITOICIVDKM-CZUORRHYSA-N 0 1 306.406 3.793 20 5 DHBDMN CC(C)(C)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876770 1037141851 /nfs/dbraw/zinc/14/18/51/1037141851.db2.gz RXOKICIIRSGAHP-CQSZACIVSA-N 0 1 307.350 3.514 20 5 DHBDMN CSC[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000076769271 1037235829 /nfs/dbraw/zinc/23/58/29/1037235829.db2.gz PGOMRYRCZGQQGJ-SNVBAGLBSA-N 0 1 323.443 3.559 20 5 DHBDMN CCC(=O)c1ccc(NCc2cnc(C(C)C)[nH]2)c([N+](=O)[O-])c1 ZINC001187724589 1037709584 /nfs/dbraw/zinc/70/95/84/1037709584.db2.gz LFMSTMNBCFBDBC-UHFFFAOYSA-N 0 1 316.361 3.646 20 5 DHBDMN CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491135801 1037916347 /nfs/dbraw/zinc/91/63/47/1037916347.db2.gz NQICRLDZEGCFKR-UHFFFAOYSA-N 0 1 302.349 3.799 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSc1nncc2ccccc21 ZINC001188599354 1037928019 /nfs/dbraw/zinc/92/80/19/1037928019.db2.gz XAZHVAOXMUWZQK-UHFFFAOYSA-N 0 1 313.338 3.536 20 5 DHBDMN C[C@@H](CF)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000588930923 1038409550 /nfs/dbraw/zinc/40/95/50/1038409550.db2.gz ZOSYHGGWUGJWOR-ZDUSSCGKSA-N 0 1 317.364 3.810 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(CC(C)C)CC1 ZINC001191498731 1038517222 /nfs/dbraw/zinc/51/72/22/1038517222.db2.gz ZVJPBUJYTHOARU-UHFFFAOYSA-N 0 1 306.406 3.862 20 5 DHBDMN CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739609 1039139761 /nfs/dbraw/zinc/13/97/61/1039139761.db2.gz DHVLYRUDTFRKGG-IUODEOHRSA-N 0 1 320.389 3.694 20 5 DHBDMN CCN(CCSC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000592201248 1039181092 /nfs/dbraw/zinc/18/10/92/1039181092.db2.gz DQLNSFHDBMSOET-UHFFFAOYSA-N 0 1 322.352 3.799 20 5 DHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1)c1ccccc1F ZINC000593062464 1039355638 /nfs/dbraw/zinc/35/56/38/1039355638.db2.gz ZBKYXBKUEPPSDT-HNNXBMFYSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1c(C)cccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594510025 1039813379 /nfs/dbraw/zinc/81/33/79/1039813379.db2.gz MXNJIXONRAJWLZ-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H](OC2CCC2)C1 ZINC000594612899 1039872780 /nfs/dbraw/zinc/87/27/80/1039872780.db2.gz OUBJFSDCZQVKRV-BBOMDTFKSA-N 0 1 316.401 3.642 20 5 DHBDMN Nc1ccc2c(c1)CC[C@@H]2NCc1ccc([N+](=O)[O-])cc1Cl ZINC000594738855 1039901826 /nfs/dbraw/zinc/90/18/26/1039901826.db2.gz IDDBPBJLHZOADR-INIZCTEOSA-N 0 1 317.776 3.608 20 5 DHBDMN CCOc1ccc(CNCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000594923765 1039929876 /nfs/dbraw/zinc/92/98/76/1039929876.db2.gz FVCUROVXGZRQQP-UHFFFAOYSA-N 0 1 300.358 3.592 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)C1 ZINC000594026275 1039951290 /nfs/dbraw/zinc/95/12/90/1039951290.db2.gz HYUUKDDALPPGGR-GUYCJALGSA-N 0 1 304.390 3.689 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1sccc1C ZINC000595010536 1040021181 /nfs/dbraw/zinc/02/11/81/1040021181.db2.gz XSMRSHOABUTALF-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)CC(F)(F)F ZINC000595032663 1040040011 /nfs/dbraw/zinc/04/00/11/1040040011.db2.gz KMPMJXIZRKBTOV-DTWKUNHWSA-N 0 1 306.284 3.595 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089274 1040076731 /nfs/dbraw/zinc/07/67/31/1040076731.db2.gz NBUPKCFQPFXZCD-RTBURBONSA-N 0 1 324.380 3.955 20 5 DHBDMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595638662 1040198770 /nfs/dbraw/zinc/19/87/70/1040198770.db2.gz KDFXVOGOTBGPCQ-LLVKDONJSA-N 0 1 318.377 3.559 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC000595831541 1040265964 /nfs/dbraw/zinc/26/59/64/1040265964.db2.gz JVCXIFXZPHJNPB-GDBMZVCRSA-N 0 1 312.369 3.809 20 5 DHBDMN Cc1cc2cn[nH]c2c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000608810849 1040617085 /nfs/dbraw/zinc/61/70/85/1040617085.db2.gz GGRASESJXGOGRV-UHFFFAOYSA-N 0 1 324.340 3.649 20 5 DHBDMN CC(C)c1ccc(CN(C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597246802 1040710832 /nfs/dbraw/zinc/71/08/32/1040710832.db2.gz ZHUZYPMGNFXGLN-UHFFFAOYSA-N 0 1 306.431 3.823 20 5 DHBDMN CC(C)N(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000534347032 1040815029 /nfs/dbraw/zinc/81/50/29/1040815029.db2.gz XPKASFHYGNTCIQ-CLFYSBASSA-N 0 1 311.385 3.914 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN[C@H]3C[C@H](c4ccccc4)C3)nc2c1 ZINC000602644288 1041130347 /nfs/dbraw/zinc/13/03/47/1041130347.db2.gz BAGVEEKNFQOIRX-HDJSIYSDSA-N 0 1 323.352 3.772 20 5 DHBDMN CS[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602679437 1041162170 /nfs/dbraw/zinc/16/21/70/1041162170.db2.gz KZBHAONRRHRRAW-NSHDSACASA-N 0 1 320.336 3.551 20 5 DHBDMN CCC[C@H](NCc1cnc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000040997570 183155396 /nfs/dbraw/zinc/15/53/96/183155396.db2.gz LKFDKIQAGBMBOR-HNNXBMFYSA-N 0 1 305.403 3.991 20 5 DHBDMN COc1ccsc1[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274614573 130248636 /nfs/dbraw/zinc/24/86/36/130248636.db2.gz UOYMFDWSDAGOBJ-SNVBAGLBSA-N 0 1 322.386 3.524 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccsc2)cc1[N+](=O)[O-] ZINC000179400133 331523199 /nfs/dbraw/zinc/52/31/99/331523199.db2.gz KEBPPMNNAFPSDP-LLVKDONJSA-N 0 1 306.387 3.906 20 5 DHBDMN C[C@H](NCc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000077490305 331673686 /nfs/dbraw/zinc/67/36/86/331673686.db2.gz WCTNJLBEFFDYHK-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000078973093 331678678 /nfs/dbraw/zinc/67/86/78/331678678.db2.gz AYDKWMKJUNGILI-NWDGAFQWSA-N 0 1 314.341 3.735 20 5 DHBDMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449463615 332237540 /nfs/dbraw/zinc/23/75/40/332237540.db2.gz WPTHBRPZDZPNJA-ZYHUDNBSSA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1cc([C@@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000559919336 332293140 /nfs/dbraw/zinc/29/31/40/332293140.db2.gz OFJLAUKLUUARQB-CYBMUJFWSA-N 0 1 303.362 3.565 20 5 DHBDMN Cc1c(CNCc2cnc(C(C)(C)C)s2)cccc1[N+](=O)[O-] ZINC000318306126 332667285 /nfs/dbraw/zinc/66/72/85/332667285.db2.gz PYOSOASBPDGQQG-UHFFFAOYSA-N 0 1 319.430 3.947 20 5 DHBDMN CCC[C@H](N[C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719407 333142886 /nfs/dbraw/zinc/14/28/86/333142886.db2.gz QTDLWKBVXLFSRB-PXAZEXFGSA-N 0 1 316.405 3.829 20 5 DHBDMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736558 333551518 /nfs/dbraw/zinc/55/15/18/333551518.db2.gz XLZFZRDSFYOFQA-WMLDXEAASA-N 0 1 314.385 3.596 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CCO)c1ccccc1 ZINC000161022915 333782084 /nfs/dbraw/zinc/78/20/84/333782084.db2.gz GNAFQHCXBGEJTQ-RDTXWAMCSA-N 0 1 314.385 3.678 20 5 DHBDMN Cc1c(NC(=O)c2ccc(Cl)cc2O)cccc1[N+](=O)[O-] ZINC000436755344 333997393 /nfs/dbraw/zinc/99/73/93/333997393.db2.gz LGCIZOZUELOQKP-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN CCC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccnc1 ZINC000273600698 334048813 /nfs/dbraw/zinc/04/88/13/334048813.db2.gz RXKLFLLBTXCCGL-OAHLLOKOSA-N 0 1 315.373 3.629 20 5 DHBDMN CCC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1cccnc1 ZINC000273600696 334048835 /nfs/dbraw/zinc/04/88/35/334048835.db2.gz RXKLFLLBTXCCGL-HNNXBMFYSA-N 0 1 315.373 3.629 20 5 DHBDMN CO[C@@H](c1ccccc1F)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000345690027 335342110 /nfs/dbraw/zinc/34/21/10/335342110.db2.gz GJGJPJMWSYFEQB-ZUZCIYMTSA-N 0 1 324.377 3.661 20 5 DHBDMN COc1cc(CN(C)[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000352533929 336223030 /nfs/dbraw/zinc/22/30/30/336223030.db2.gz BEQLEUHSDJSFPJ-LBPRGKRZSA-N 0 1 316.357 3.502 20 5 DHBDMN CCS[C@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609494 336226824 /nfs/dbraw/zinc/22/68/24/336226824.db2.gz UGVJMSDOWOHXDO-JSGCOSHPSA-N 0 1 312.410 3.840 20 5 DHBDMN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609496 336226867 /nfs/dbraw/zinc/22/68/67/336226867.db2.gz UGVJMSDOWOHXDO-TZMCWYRMSA-N 0 1 312.410 3.840 20 5 DHBDMN CC(C)(C)OC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000352670232 336229677 /nfs/dbraw/zinc/22/96/77/336229677.db2.gz FFRQHEXXWKNPQU-VURMDHGXSA-N 0 1 318.417 3.888 20 5 DHBDMN Cc1cc(NCc2ccc(F)c(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000301245156 336296439 /nfs/dbraw/zinc/29/64/39/336296439.db2.gz AMGPWMQBHWUYGO-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN Cc1c(CN[C@@H]2CCCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000358317916 336623777 /nfs/dbraw/zinc/62/37/77/336623777.db2.gz BAAMTDJLROVOGJ-MRXNPFEDSA-N 0 1 312.369 3.907 20 5 DHBDMN CC[C@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000362192580 336787696 /nfs/dbraw/zinc/78/76/96/336787696.db2.gz VJHLKHYCTCCRDU-HNNXBMFYSA-N 0 1 318.348 3.983 20 5 DHBDMN CC(C)(COCc1ccccc1)NCc1csc([N+](=O)[O-])c1 ZINC000389993260 336932830 /nfs/dbraw/zinc/93/28/30/336932830.db2.gz NAIRNRWLHBFNBU-UHFFFAOYSA-N 0 1 320.414 3.741 20 5 DHBDMN C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178641156 337165741 /nfs/dbraw/zinc/16/57/41/337165741.db2.gz WJMRARNADQUZTO-AWEZNQCLSA-N 0 1 322.368 3.631 20 5 DHBDMN CCc1nc(C)c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513214 337870522 /nfs/dbraw/zinc/87/05/22/337870522.db2.gz JWBYITYVWRBXRY-SNVBAGLBSA-N 0 1 305.403 3.773 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1ccccc1 ZINC000430193025 338100576 /nfs/dbraw/zinc/10/05/76/338100576.db2.gz CGXRCBYESRUNBZ-CYBMUJFWSA-N 0 1 300.358 3.796 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cccc(C)c1 ZINC000430200524 338101112 /nfs/dbraw/zinc/10/11/12/338101112.db2.gz ADRNUBBVUWGVQK-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cccc(F)c1 ZINC000430208287 338101438 /nfs/dbraw/zinc/10/14/38/338101438.db2.gz UFFLGCIGTOGIGJ-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN CCc1nc([C@@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152744 338597356 /nfs/dbraw/zinc/59/73/56/338597356.db2.gz AXUUFZFNQWMEOA-NWDGAFQWSA-N 0 1 319.430 3.896 20 5 DHBDMN CC[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246154 338813634 /nfs/dbraw/zinc/81/36/34/338813634.db2.gz MJKBGZGAYHHKMJ-KWCYVHTRSA-N 0 1 312.360 3.939 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3ccc(C4CC4)cc3)nc2c1 ZINC000459503566 339032928 /nfs/dbraw/zinc/03/29/28/339032928.db2.gz HRNYUMPJWLPYJV-UHFFFAOYSA-N 0 1 322.368 3.638 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CC[C@H](c2c(F)cccc2F)C1 ZINC000469467989 339290640 /nfs/dbraw/zinc/29/06/40/339290640.db2.gz DGRUDQHGXKLOMR-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN Cc1c(CNCc2cccc(OC(F)F)c2)cccc1[N+](=O)[O-] ZINC000480444953 339573174 /nfs/dbraw/zinc/57/31/74/339573174.db2.gz MTRUZFKAPFHXRM-UHFFFAOYSA-N 0 1 322.311 3.794 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc3c(c2)CCO3)C2CC2)cc1 ZINC000507167818 340210669 /nfs/dbraw/zinc/21/06/69/340210669.db2.gz OBVKOSMPJPIMAL-UHFFFAOYSA-N 0 1 324.380 3.694 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1cccs1)C1CC1 ZINC000542519279 341011758 /nfs/dbraw/zinc/01/17/58/341011758.db2.gz ZORHNPPREFCYHI-INIZCTEOSA-N 0 1 318.398 3.906 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CNC1(c2ccc(F)cc2)CC1 ZINC000542705585 341018376 /nfs/dbraw/zinc/01/83/76/341018376.db2.gz YQOIKBABKOMGEJ-UHFFFAOYSA-N 0 1 300.333 3.821 20 5 DHBDMN COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075897094 341188424 /nfs/dbraw/zinc/18/84/24/341188424.db2.gz XXMXJFQNMCQKDC-CQSZACIVSA-N 0 1 314.385 3.666 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1O ZINC000077011945 341217179 /nfs/dbraw/zinc/21/71/79/341217179.db2.gz IDKLPMNRPYBANE-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN CCc1noc(C)c1CNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000550239885 341313371 /nfs/dbraw/zinc/31/33/71/341313371.db2.gz ZTCPKYXCWYOIHZ-WQLSENKSSA-N 0 1 315.373 3.647 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cc(F)cc(F)c1 ZINC000565213339 341520254 /nfs/dbraw/zinc/52/02/54/341520254.db2.gz AHAMHXHEHHSZEU-OAHLLOKOSA-N 0 1 304.296 3.650 20 5 DHBDMN CCC[C@H](NCc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000154426269 521163561 /nfs/dbraw/zinc/16/35/61/521163561.db2.gz TUHVKMFVPLLPFR-KRWDZBQOSA-N 0 1 300.358 3.931 20 5 DHBDMN CCSc1cc(CNCc2ccc([N+](=O)[O-])cc2C)ccn1 ZINC000189582054 521733941 /nfs/dbraw/zinc/73/39/41/521733941.db2.gz HNQWRYDTDSIEJF-UHFFFAOYSA-N 0 1 317.414 3.700 20 5 DHBDMN CS[C@@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127945783 525809491 /nfs/dbraw/zinc/80/94/91/525809491.db2.gz XFMOPVJLOUWIKB-JTQLQIEISA-N 0 1 323.443 3.559 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCc2c1cccc2O ZINC000130435840 526088954 /nfs/dbraw/zinc/08/89/54/526088954.db2.gz AGULOJPKLMVQON-PXAZEXFGSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H]1c1cnn(C)c1 ZINC000245536636 526089317 /nfs/dbraw/zinc/08/93/17/526089317.db2.gz XPAQCXRGYUEYEQ-GUYCJALGSA-N 0 1 314.389 3.535 20 5 DHBDMN C[C@H](C1CC1)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000158023595 526204021 /nfs/dbraw/zinc/20/40/21/526204021.db2.gz CWGFRQJVROWAKN-LLVKDONJSA-N 0 1 317.414 3.949 20 5 DHBDMN CN1Cc2ccccc2[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000536023722 1013962138 /nfs/dbraw/zinc/96/21/38/1013962138.db2.gz WOMRNCROIFFNEF-OAHLLOKOSA-N 0 1 317.776 3.847 20 5 DHBDMN CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740541 974984852 /nfs/dbraw/zinc/98/48/52/974984852.db2.gz FYIGFILDXKTJBC-IUODEOHRSA-N 0 1 320.389 3.694 20 5 DHBDMN CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593736701 974985038 /nfs/dbraw/zinc/98/50/38/974985038.db2.gz URQSVKSNYCXJKS-NWDGAFQWSA-N 0 1 320.389 3.692 20 5 DHBDMN COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000537955767 1014940910 /nfs/dbraw/zinc/94/09/10/1014940910.db2.gz KFPGJZVJYXFNDF-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CC(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000051121175 1015076314 /nfs/dbraw/zinc/07/63/14/1015076314.db2.gz RSWQEKQRMBTYMY-SFHVURJKSA-N 0 1 324.384 3.958 20 5 DHBDMN CCC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000294677554 1032111481 /nfs/dbraw/zinc/11/14/81/1032111481.db2.gz BJBIPVYEKNBFCL-UHFFFAOYSA-N 0 1 303.387 3.751 20 5 DHBDMN CCC(CC)[C@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341597095 1015578805 /nfs/dbraw/zinc/57/88/05/1015578805.db2.gz NQGOWOISCJPAGB-INIZCTEOSA-N 0 1 316.405 3.595 20 5 DHBDMN CCN(Cc1cccc(F)c1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051564304 1016550105 /nfs/dbraw/zinc/55/01/05/1016550105.db2.gz OPEXHPVTRNUTQH-UHFFFAOYSA-N 0 1 318.348 3.765 20 5 DHBDMN CCCCOC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000537621782 1032313502 /nfs/dbraw/zinc/31/35/02/1032313502.db2.gz DKXSVRBJWLQNEN-SOFGYWHQSA-N 0 1 318.417 3.889 20 5 DHBDMN Cc1ccc(CN2CCSC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC001171344446 1032500540 /nfs/dbraw/zinc/50/05/40/1032500540.db2.gz OOOCOUYWRGNIAW-INIZCTEOSA-N 0 1 306.431 3.621 20 5 DHBDMN C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001125286881 1012269946 /nfs/dbraw/zinc/26/99/46/1012269946.db2.gz AODNFTWLGTUBMF-NXOUGTEYSA-N 0 1 324.380 3.557 20 5 DHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CC1 ZINC000122884553 1032625650 /nfs/dbraw/zinc/62/56/50/1032625650.db2.gz PYHDJNAOYUUDGZ-UHFFFAOYSA-N 0 1 303.387 3.560 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](Oc2ccccc2)C1 ZINC000075744907 1017327299 /nfs/dbraw/zinc/32/72/99/1017327299.db2.gz JVCXIFXZPHJNPB-HOCLYGCPSA-N 0 1 312.369 3.809 20 5 DHBDMN CC(C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000444771200 1017394467 /nfs/dbraw/zinc/39/44/67/1017394467.db2.gz INNJELWEZOJAID-LBPRGKRZSA-N 0 1 303.362 3.604 20 5 DHBDMN Cc1cc(N2CC[C@H](C)[C@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931010 1017570593 /nfs/dbraw/zinc/57/05/93/1017570593.db2.gz FPWNLYBBWMBJBS-IINYFYTJSA-N 0 1 303.337 3.636 20 5 DHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCc2ccccc21 ZINC000083138847 1017579346 /nfs/dbraw/zinc/57/93/46/1017579346.db2.gz LNDNLFSARZKOOU-INIZCTEOSA-N 0 1 323.352 3.855 20 5 DHBDMN CC(C)CC[C@H]1CCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444652723 1017607322 /nfs/dbraw/zinc/60/73/22/1017607322.db2.gz JYSWVYFZIHFVSJ-CYBMUJFWSA-N 0 1 316.405 3.872 20 5 DHBDMN Cc1ccccc1OCCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000059393600 1017779547 /nfs/dbraw/zinc/77/95/47/1017779547.db2.gz CWBXTWDYTNXPBM-UHFFFAOYSA-N 0 1 314.385 3.804 20 5 DHBDMN Cc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000446143081 1018071316 /nfs/dbraw/zinc/07/13/16/1018071316.db2.gz FQIVQBWNIFOSMY-UHFFFAOYSA-N 0 1 322.246 3.860 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(Sc2nc(-c3ccccc3)n[nH]2)c1 ZINC000446892174 1018287503 /nfs/dbraw/zinc/28/75/03/1018287503.db2.gz INVLVUFPEBPBPT-UHFFFAOYSA-N 0 1 312.354 3.840 20 5 DHBDMN CCC[C@H](NCc1c(C)nn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000174024119 1018381722 /nfs/dbraw/zinc/38/17/22/1018381722.db2.gz ILZAZTBQXCEBNT-KRWDZBQOSA-N 0 1 316.405 3.576 20 5 DHBDMN CCOc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000042976784 1018508006 /nfs/dbraw/zinc/50/80/06/1018508006.db2.gz XNDYIAUNPDEAOS-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN CCC[C@@H](NCc1cn(C)nc1CC)c1cccc([N+](=O)[O-])c1 ZINC000091742479 1018600847 /nfs/dbraw/zinc/60/08/47/1018600847.db2.gz WLUWBIGGHAGGPE-QGZVFWFLSA-N 0 1 316.405 3.522 20 5 DHBDMN CC[C@H](NCc1cccc2c1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000921817207 1018896578 /nfs/dbraw/zinc/89/65/78/1018896578.db2.gz JSILUTXTIRVQMO-KRWDZBQOSA-N 0 1 312.369 3.771 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](CC(F)(F)F)C1 ZINC000278613684 1018928016 /nfs/dbraw/zinc/92/80/16/1018928016.db2.gz FQAZXPQOBRJMFV-QWRGUYRKSA-N 0 1 302.296 3.930 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@H](c2cccnc2)C1 ZINC000584111193 1018963671 /nfs/dbraw/zinc/96/36/71/1018963671.db2.gz QDGZNRBFIAXHBT-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN Cc1sc(C(=O)Nc2cccc(Cl)c2O)cc1[N+](=O)[O-] ZINC000077012873 1019215662 /nfs/dbraw/zinc/21/56/62/1019215662.db2.gz UCNSJKQMBXUYEI-UHFFFAOYSA-N 0 1 312.734 3.576 20 5 DHBDMN CCC[C@@H](NC[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010199 1032818607 /nfs/dbraw/zinc/81/86/07/1032818607.db2.gz YMHKYMKHZGITPU-CHWSQXEVSA-N 0 1 320.311 3.603 20 5 DHBDMN C[C@@H](c1ccco1)N(Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000092483270 1019515786 /nfs/dbraw/zinc/51/57/86/1019515786.db2.gz LUHFMEQTZXSOBW-NSHDSACASA-N 0 1 302.330 3.619 20 5 DHBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1Cl ZINC000729906527 1019922334 /nfs/dbraw/zinc/92/23/34/1019922334.db2.gz HTHLGXWIZWEWRW-SSDOTTSWSA-N 0 1 312.684 3.633 20 5 DHBDMN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2CC2)s1 ZINC000555340187 1020215011 /nfs/dbraw/zinc/21/50/11/1020215011.db2.gz RVYKMXPKPCWBIJ-UHFFFAOYSA-N 0 1 317.414 3.603 20 5 DHBDMN COc1ccc(CN[C@H](C)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000124900761 1020237383 /nfs/dbraw/zinc/23/73/83/1020237383.db2.gz HBVMFBPMLXTYHH-LLVKDONJSA-N 0 1 304.346 3.664 20 5 DHBDMN COc1cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631178 1020355790 /nfs/dbraw/zinc/35/57/90/1020355790.db2.gz BERUDVSMNGUNOT-CHWSQXEVSA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000734085822 1020558717 /nfs/dbraw/zinc/55/87/17/1020558717.db2.gz BHDBTWIRBQJKIQ-ZFWWWQNUSA-N 0 1 314.341 3.724 20 5 DHBDMN O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)N2CCCCC2)s1 ZINC000066410713 1020849120 /nfs/dbraw/zinc/84/91/20/1020849120.db2.gz BLGZMFAJZVVALP-LBPRGKRZSA-N 0 1 321.402 3.888 20 5 DHBDMN O=[N+]([O-])c1ccc2cnn(CN3CCC4(CCCC4)CC3)c2c1 ZINC000738283537 1020867762 /nfs/dbraw/zinc/86/77/62/1020867762.db2.gz RHKYCXKGFPXQCH-UHFFFAOYSA-N 0 1 314.389 3.558 20 5 DHBDMN CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)cc1F ZINC000739273958 1020901616 /nfs/dbraw/zinc/90/16/16/1020901616.db2.gz PIYAKCZYNDZEBA-LBPRGKRZSA-N 0 1 310.256 3.509 20 5 DHBDMN CC[C@]1(C)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177162077 1021220872 /nfs/dbraw/zinc/22/08/72/1021220872.db2.gz OHASXPCZORMQLU-MRXNPFEDSA-N 0 1 303.362 3.748 20 5 DHBDMN Cc1c([C@H](C)N[C@@H]2C[C@@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528193 1021580058 /nfs/dbraw/zinc/58/00/58/1021580058.db2.gz JKSYEKMFVGRYEH-BJOOFOGMSA-N 0 1 312.369 3.732 20 5 DHBDMN CC[C@H](N[C@@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529113 1021581325 /nfs/dbraw/zinc/58/13/25/1021581325.db2.gz NMQLSYQIQKYRRU-KSZLIROESA-N 0 1 312.369 3.814 20 5 DHBDMN CC[C@H](N[C@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529112 1021583124 /nfs/dbraw/zinc/58/31/24/1021583124.db2.gz NMQLSYQIQKYRRU-BZSNNMDCSA-N 0 1 312.369 3.814 20 5 DHBDMN CC[C@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000892740029 1021592398 /nfs/dbraw/zinc/59/23/98/1021592398.db2.gz HUJHBXWGRGGSMA-AWEZNQCLSA-N 0 1 316.357 3.550 20 5 DHBDMN CC[C@@H](NCc1ccc(O)c(OC)c1[N+](=O)[O-])c1ccccc1 ZINC000892740033 1021593395 /nfs/dbraw/zinc/59/33/95/1021593395.db2.gz HUJHBXWGRGGSMA-CQSZACIVSA-N 0 1 316.357 3.550 20 5 DHBDMN C[C@@H](N[C@H](C)c1cc(O)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000926890869 1021799700 /nfs/dbraw/zinc/79/97/00/1021799700.db2.gz GGBNCSHERADIMD-GHMZBOCLSA-N 0 1 304.321 3.851 20 5 DHBDMN O=[N+]([O-])c1cc(CN(CCc2ccccc2)C2CC2)cs1 ZINC000746119146 1021864013 /nfs/dbraw/zinc/86/40/13/1021864013.db2.gz PHTHWLHATXEZHW-UHFFFAOYSA-N 0 1 302.399 3.863 20 5 DHBDMN Cc1cc(C)c([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)c1 ZINC000920161354 1022065576 /nfs/dbraw/zinc/06/55/76/1022065576.db2.gz KLIYCHQTXKWFME-GFCCVEGCSA-N 0 1 302.330 3.766 20 5 DHBDMN C[C@H](NCC[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001169065007 1022238615 /nfs/dbraw/zinc/23/86/15/1022238615.db2.gz GCXMCOCBGGFACL-JTQLQIEISA-N 0 1 310.806 3.996 20 5 DHBDMN CCc1cc(CNc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)n[nH]1 ZINC000853322793 1022257528 /nfs/dbraw/zinc/25/75/28/1022257528.db2.gz DBGDVZDTZNXREX-UHFFFAOYSA-N 0 1 314.267 3.511 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCS[C@@H](c3ccccc3)C2)c1 ZINC000609800772 1022352637 /nfs/dbraw/zinc/35/26/37/1022352637.db2.gz SCNZCSYOUUONKF-QGZVFWFLSA-N 0 1 314.410 3.885 20 5 DHBDMN Cc1ccc(CN[C@H]2CSc3ccccc32)cc1[N+](=O)[O-] ZINC000609805238 1022355947 /nfs/dbraw/zinc/35/59/47/1022355947.db2.gz YLIWGRIMUSHEFT-AWEZNQCLSA-N 0 1 300.383 3.840 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C(C)C)no1 ZINC000615724088 1022546063 /nfs/dbraw/zinc/54/60/63/1022546063.db2.gz LRJRQIZNQJVKPW-NTUHNPAUSA-N 0 1 315.373 3.899 20 5 DHBDMN CSC[C@H]1CCCN1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000767907957 1022839425 /nfs/dbraw/zinc/83/94/25/1022839425.db2.gz YISCMCCBENRBCI-GFCCVEGCSA-N 0 1 300.811 3.576 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCC[C@]3(CCCOC3)C2)ccc1Cl ZINC000768548925 1022995754 /nfs/dbraw/zinc/99/57/54/1022995754.db2.gz LEKISLPVMWBQHR-INIZCTEOSA-N 0 1 324.808 3.641 20 5 DHBDMN CCc1nc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184695940 1023075712 /nfs/dbraw/zinc/07/57/12/1023075712.db2.gz SNJVVRDWFWWIFB-NSHDSACASA-N 0 1 305.403 3.507 20 5 DHBDMN Cc1cc([C@@H]2CCCN2Cc2c(C)ccc([N+](=O)[O-])c2C)on1 ZINC000876617275 1033106282 /nfs/dbraw/zinc/10/62/82/1033106282.db2.gz JAZANYCGNXJVTN-INIZCTEOSA-N 0 1 315.373 3.845 20 5 DHBDMN COc1ccc2nc(SCc3csc([N+](=O)[O-])c3)[nH]c2c1 ZINC000047171440 1023194681 /nfs/dbraw/zinc/19/46/81/1023194681.db2.gz KZBATBKGKXKMAP-UHFFFAOYSA-N 0 1 321.383 3.834 20 5 DHBDMN CC(C)[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000538728388 1033149765 /nfs/dbraw/zinc/14/97/65/1033149765.db2.gz QPSOXRQIFXOILV-YERXGYGTSA-N 0 1 306.431 3.681 20 5 DHBDMN O=[N+]([O-])c1cccc(CNCc2cccc(Br)c2)c1 ZINC000048817883 1023816012 /nfs/dbraw/zinc/81/60/12/1023816012.db2.gz AOWPXUPRLHVFDU-UHFFFAOYSA-N 0 1 321.174 3.647 20 5 DHBDMN CC[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181813814 1023816067 /nfs/dbraw/zinc/81/60/67/1023816067.db2.gz GHIRSBJJFNJAME-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN CN(Cc1cc2ccccc2o1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000093689103 1023816913 /nfs/dbraw/zinc/81/69/13/1023816913.db2.gz AOQCZJHFHJGADK-UHFFFAOYSA-N 0 1 312.325 3.679 20 5 DHBDMN CN(CCCOc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788471711 1023890189 /nfs/dbraw/zinc/89/01/89/1023890189.db2.gz YNFBOLLZCRJUPY-UHFFFAOYSA-N 0 1 318.348 3.635 20 5 DHBDMN CC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684773 1023918978 /nfs/dbraw/zinc/91/89/78/1023918978.db2.gz FADHEDMVPPTXNS-XPTSAGLGSA-N 0 1 318.377 3.584 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1sccc1C ZINC000268926279 1024195959 /nfs/dbraw/zinc/19/59/59/1024195959.db2.gz RRKUTBTWRLERGI-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN CC(C)(NCc1cccc(Cl)c1N)c1ccccc1[N+](=O)[O-] ZINC000883127111 1024252023 /nfs/dbraw/zinc/25/20/23/1024252023.db2.gz MABJOVAKSWVZKG-UHFFFAOYSA-N 0 1 319.792 3.855 20 5 DHBDMN Cc1cnc(CCN(C)[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000270119055 1024352362 /nfs/dbraw/zinc/35/23/62/1024352362.db2.gz NKYOXRWVKBCNBA-GFCCVEGCSA-N 0 1 305.403 3.595 20 5 DHBDMN O=[N+]([O-])c1ccccc1CSc1nc(-c2ccccc2)n[nH]1 ZINC000007471566 1024411867 /nfs/dbraw/zinc/41/18/67/1024411867.db2.gz WECANSYPOBWBQE-UHFFFAOYSA-N 0 1 312.354 3.672 20 5 DHBDMN CC[C@@H](C)c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000453064220 1024511735 /nfs/dbraw/zinc/51/17/35/1024511735.db2.gz OQZWLGWONGYWFN-SECBINFHSA-N 0 1 313.317 3.548 20 5 DHBDMN CSc1ccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339157209 1024576716 /nfs/dbraw/zinc/57/67/16/1024576716.db2.gz XRHYSMZYLYFKFR-LLVKDONJSA-N 0 1 318.398 3.873 20 5 DHBDMN CC[C@H](NCc1c(C)nn(CC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000532214289 1024577045 /nfs/dbraw/zinc/57/70/45/1024577045.db2.gz FBXXCFVWYQZVBJ-KRWDZBQOSA-N 0 1 316.405 3.669 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CO)c1ccccc1C ZINC000532247811 1024584031 /nfs/dbraw/zinc/58/40/31/1024584031.db2.gz FRERGSUUPCEULG-RDTXWAMCSA-N 0 1 314.385 3.596 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1c1cccnc1 ZINC000348931358 1024651796 /nfs/dbraw/zinc/65/17/96/1024651796.db2.gz AWHSAAVBERRQFX-AUNFYEFLSA-N 0 1 309.369 3.840 20 5 DHBDMN Cc1c(CN(C)[C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000109780997 1024695643 /nfs/dbraw/zinc/69/56/43/1024695643.db2.gz DXLWAMIYQBMCGH-CYBMUJFWSA-N 0 1 300.358 3.802 20 5 DHBDMN CCC[C@@H](N[C@@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344242 1024706049 /nfs/dbraw/zinc/70/60/49/1024706049.db2.gz RFDWCQFKINPMAE-CVEARBPZSA-N 0 1 320.414 3.821 20 5 DHBDMN CC[C@@H]1CC[C@H](C)N(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC001170280170 1024734320 /nfs/dbraw/zinc/73/43/20/1024734320.db2.gz BYKOMIWRFZEFRI-NWDGAFQWSA-N 0 1 310.369 3.753 20 5 DHBDMN Cc1nc2c(s1)[C@H](N(C)Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000111311334 1024752498 /nfs/dbraw/zinc/75/24/98/1024752498.db2.gz WKRPHYXXLJEKBQ-OAHLLOKOSA-N 0 1 317.414 3.869 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793338183 1024996644 /nfs/dbraw/zinc/99/66/44/1024996644.db2.gz CYVFNUKEISMOCN-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000354041186 1025330344 /nfs/dbraw/zinc/33/03/44/1025330344.db2.gz REMJJKRCTONMNI-WBMJQRKESA-N 0 1 316.357 3.867 20 5 DHBDMN CO[C@@H](C)CN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000354474035 1025439323 /nfs/dbraw/zinc/43/93/23/1025439323.db2.gz ZPZLVMOFNQYUGH-AWEZNQCLSA-N 0 1 324.421 3.627 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217420 1025455595 /nfs/dbraw/zinc/45/55/95/1025455595.db2.gz VNFBZKSGLNBVRI-NEPJUHHUSA-N 0 1 314.389 3.722 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCOCC2(CCCC2)C1 ZINC000614253542 1025998468 /nfs/dbraw/zinc/99/84/68/1025998468.db2.gz IPZPGZLSDGNJCR-ALCCZGGFSA-N 0 1 316.401 3.501 20 5 DHBDMN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC12CCC2 ZINC000357062498 1026300685 /nfs/dbraw/zinc/30/06/85/1026300685.db2.gz FKAZMSVEEYKVQA-GFCCVEGCSA-N 0 1 315.373 3.748 20 5 DHBDMN CSC1(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000809541343 1026548875 /nfs/dbraw/zinc/54/88/75/1026548875.db2.gz RWRRMVKOCUHMCA-UHFFFAOYSA-N 0 1 300.811 3.576 20 5 DHBDMN C[C@@H]1N(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368834678 1028414949 /nfs/dbraw/zinc/41/49/49/1028414949.db2.gz PDRKFVNJOYEZBR-LBPRGKRZSA-N 0 1 324.808 3.639 20 5 DHBDMN C[C@H](NCc1ccc([C@H]2C[C@@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562068 1028544758 /nfs/dbraw/zinc/54/47/58/1028544758.db2.gz WGPJWQUZDCMNNG-MJVIPROJSA-N 0 1 315.373 3.744 20 5 DHBDMN Cc1ccc(OC[C@@H](C)NCc2csc([N+](=O)[O-])c2)cc1 ZINC000040499623 1028559726 /nfs/dbraw/zinc/55/97/26/1028559726.db2.gz PLECOHCUZKVFNJ-GFCCVEGCSA-N 0 1 306.387 3.522 20 5 DHBDMN C[C@H](NC1(c2ccc(F)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605362 1028581482 /nfs/dbraw/zinc/58/14/82/1028581482.db2.gz RXRNMVQSXBGVIU-NSHDSACASA-N 0 1 315.348 3.656 20 5 DHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000042097544 1028894284 /nfs/dbraw/zinc/89/42/84/1028894284.db2.gz WXGPQBXURIQLPG-UHFFFAOYSA-N 0 1 316.317 3.670 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000530280383 1029801032 /nfs/dbraw/zinc/80/10/32/1029801032.db2.gz GUVRKKBFMCZSQN-CYBMUJFWSA-N 0 1 306.362 3.785 20 5 DHBDMN Cc1ccc(CNCc2cnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000865787130 1030024690 /nfs/dbraw/zinc/02/46/90/1030024690.db2.gz INGYXVMSYMZYBY-UHFFFAOYSA-N 0 1 305.403 3.773 20 5 DHBDMN C[C@@H](N[C@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000924796885 1030189838 /nfs/dbraw/zinc/18/98/38/1030189838.db2.gz DOUVFBWOWHBCPA-GHMZBOCLSA-N 0 1 304.321 3.851 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)c2ccccc2C1 ZINC000533413958 1030338869 /nfs/dbraw/zinc/33/88/69/1030338869.db2.gz DWXORUGTHQHMKV-AWEZNQCLSA-N 0 1 311.385 3.608 20 5 DHBDMN Cc1ccc(CN[C@@H](c2ccc(F)cn2)C(C)C)cc1[N+](=O)[O-] ZINC000866540530 1030360383 /nfs/dbraw/zinc/36/03/83/1030360383.db2.gz PZTMRVWSHAAYGO-QGZVFWFLSA-N 0 1 317.364 3.924 20 5 DHBDMN O=[N+]([O-])c1ccc(CNc2ccc3c(n2)CCC3)cc1Cl ZINC000825123633 1030731312 /nfs/dbraw/zinc/73/13/12/1030731312.db2.gz AWBPFRWENVMCIY-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN COc1ccc([C@H](NCc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000191900813 1030865467 /nfs/dbraw/zinc/86/54/67/1030865467.db2.gz ADIAUNNRJZMLKH-GOSISDBHSA-N 0 1 312.369 3.844 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000926890863 1030971030 /nfs/dbraw/zinc/97/10/30/1030971030.db2.gz GEJBGLPZPOZUNK-VXGBXAGGSA-N 0 1 314.341 3.735 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc3c1OCC3)CCC2 ZINC000927089760 1031080231 /nfs/dbraw/zinc/08/02/31/1031080231.db2.gz DTPQQDBIAAEYCR-SFHVURJKSA-N 0 1 324.380 3.697 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@]3(CCCOC3)C2)c(Cl)c1 ZINC000360028656 1031248944 /nfs/dbraw/zinc/24/89/44/1031248944.db2.gz WCXAGYTVEVWXKQ-INIZCTEOSA-N 0 1 324.808 3.641 20 5 DHBDMN C[C@H](Nc1ccc(CN(C)C)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000777701851 1031357869 /nfs/dbraw/zinc/35/78/69/1031357869.db2.gz QHPPLAAUBXRLLL-LBPRGKRZSA-N 0 1 317.364 3.969 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccnc1 ZINC000872016720 1031398335 /nfs/dbraw/zinc/39/83/35/1031398335.db2.gz NWQUKTHTCYKZJE-LLVKDONJSA-N 0 1 303.387 3.563 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccn(C)c1 ZINC000872040734 1031425011 /nfs/dbraw/zinc/42/50/11/1031425011.db2.gz MUDYRLGYFFMAKG-NSHDSACASA-N 0 1 305.403 3.506 20 5 DHBDMN C[C@H](N[C@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049440 1031435548 /nfs/dbraw/zinc/43/55/48/1031435548.db2.gz SSHPKZDXRLJZNZ-UWVGGRQHSA-N 0 1 302.296 3.962 20 5 DHBDMN C[C@@H](NC[C@@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075839 1031471774 /nfs/dbraw/zinc/47/17/74/1031471774.db2.gz GTLPAXLOUVWBQE-PRHODGIISA-N 0 1 321.179 3.968 20 5 DHBDMN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360687717 1031522421 /nfs/dbraw/zinc/52/24/21/1031522421.db2.gz GFGPIXVHDSHSRA-YPMHNXCESA-N 0 1 320.389 3.587 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](OC3CCC3)CC2)c(F)c1 ZINC000872261536 1031563789 /nfs/dbraw/zinc/56/37/89/1031563789.db2.gz HEGSJVIUYUGKHA-INIZCTEOSA-N 0 1 322.380 3.658 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](OC3CCC3)CC2)c(F)c1 ZINC000872261537 1031565539 /nfs/dbraw/zinc/56/55/39/1031565539.db2.gz HEGSJVIUYUGKHA-MRXNPFEDSA-N 0 1 322.380 3.658 20 5 DHBDMN COc1ccc(F)c(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873140492 1031724863 /nfs/dbraw/zinc/72/48/63/1031724863.db2.gz PNFFUFZSRBVIAG-UHFFFAOYSA-N 0 1 318.348 3.649 20 5 DHBDMN CCc1ncc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000930637181 1031900585 /nfs/dbraw/zinc/90/05/85/1031900585.db2.gz KHTNQHXMJIYTCA-CQSZACIVSA-N 0 1 315.373 3.525 20 5 DHBDMN CCc1ncc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000930637181 1031900599 /nfs/dbraw/zinc/90/05/99/1031900599.db2.gz KHTNQHXMJIYTCA-CQSZACIVSA-N 0 1 315.373 3.525 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC(Cc2ccco2)C1 ZINC000600197667 1034804776 /nfs/dbraw/zinc/80/47/76/1034804776.db2.gz OSTCAFYDPHCVRI-RIYZIHGNSA-N 0 1 312.369 3.766 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000481677694 1034930090 /nfs/dbraw/zinc/93/00/90/1034930090.db2.gz PXJIDYRTUZZSTA-IBGZPJMESA-N 0 1 324.380 3.616 20 5 DHBDMN CC[C@H](CSC)N(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000773707367 1035390714 /nfs/dbraw/zinc/39/07/14/1035390714.db2.gz NYNFYGCXMDFTRS-GFCCVEGCSA-N 0 1 302.827 3.822 20 5 DHBDMN C[C@@H]1N(Cc2c(Cl)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000494631808 1035748628 /nfs/dbraw/zinc/74/86/28/1035748628.db2.gz CGYYPZQCGLBZSZ-LBPRGKRZSA-N 0 1 324.808 3.639 20 5 DHBDMN C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H]1C ZINC000089904020 1035785908 /nfs/dbraw/zinc/78/59/08/1035785908.db2.gz IJNBQLTZYIPSSE-CHWSQXEVSA-N 0 1 315.373 3.870 20 5 DHBDMN Cc1ccc(CN2CCS[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000539849013 1035902572 /nfs/dbraw/zinc/90/25/72/1035902572.db2.gz HNQOABOSYNHDBL-ZBFHGGJFSA-N 0 1 306.431 3.763 20 5 DHBDMN Cc1ccsc1[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221641 1036018598 /nfs/dbraw/zinc/01/85/98/1036018598.db2.gz VDHRJWWGIQZTJR-TZMCWYRMSA-N 0 1 320.414 3.657 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc3ccc(Br)cc3[nH]2)s1 ZINC000541086643 1036233320 /nfs/dbraw/zinc/23/33/20/1036233320.db2.gz SIICYQRUSRQGSU-UHFFFAOYSA-N 0 1 324.159 3.962 20 5 DHBDMN COc1ccccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000271748062 1036511705 /nfs/dbraw/zinc/51/17/05/1036511705.db2.gz XZYKXPVHHSQWOS-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CCN(CCNc1ccc([N+](=O)[O-])cc1C)CCC(F)(F)F ZINC000491822756 1036644882 /nfs/dbraw/zinc/64/48/82/1036644882.db2.gz XQXNUMOCWOCCSF-UHFFFAOYSA-N 0 1 319.327 3.589 20 5 DHBDMN CCC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774902336 1037192230 /nfs/dbraw/zinc/19/22/30/1037192230.db2.gz DYSUZZCMCMJIAU-LBPRGKRZSA-N 0 1 307.350 3.515 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000193903072 1037307097 /nfs/dbraw/zinc/30/70/97/1037307097.db2.gz IAWIKFPDNVXOPF-TXEJJXNPSA-N 0 1 315.329 3.915 20 5 DHBDMN COc1cccc(CN(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761509968 1037336379 /nfs/dbraw/zinc/33/63/79/1037336379.db2.gz FKULWHJAJPVKGH-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC12CCC2 ZINC000775054961 1037523982 /nfs/dbraw/zinc/52/39/82/1037523982.db2.gz DAQDDCLWOFZEKP-LBPRGKRZSA-N 0 1 319.361 3.515 20 5 DHBDMN CN(CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491194047 1037936808 /nfs/dbraw/zinc/93/68/08/1037936808.db2.gz IQBPIISVFNAJKA-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN Cc1nc2ccc(CNCc3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000494340164 1038049089 /nfs/dbraw/zinc/04/90/89/1038049089.db2.gz RSCAPMBLXAEORU-UHFFFAOYSA-N 0 1 313.382 3.803 20 5 DHBDMN COc1ccc(CN(C)Cc2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000609194222 1038070599 /nfs/dbraw/zinc/07/05/99/1038070599.db2.gz GBOVRZQVCJHPOR-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN COc1ccc(C(C)(C)NCc2cccc([N+](=O)[O-])c2)cc1F ZINC000598997153 1038989841 /nfs/dbraw/zinc/98/98/41/1038989841.db2.gz YARRQKAPEKNTDC-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592145714 1039143620 /nfs/dbraw/zinc/14/36/20/1039143620.db2.gz YCTRTHOFQLXUEK-UHFFFAOYSA-N 0 1 316.332 3.609 20 5 DHBDMN C[C@H](c1ccccc1F)N(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000603855082 1039188253 /nfs/dbraw/zinc/18/82/53/1039188253.db2.gz AYOSFFFIIFWSHB-CYBMUJFWSA-N 0 1 318.348 3.806 20 5 DHBDMN COc1cc(CN2CCCC3(CC3)CC2)c([N+](=O)[O-])cc1F ZINC000599673527 1039252942 /nfs/dbraw/zinc/25/29/42/1039252942.db2.gz SBSDMBMPGNBQMV-UHFFFAOYSA-N 0 1 308.353 3.509 20 5 DHBDMN COC[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502868 1039804803 /nfs/dbraw/zinc/80/48/03/1039804803.db2.gz RVJTZKRYJBXZJD-IAGOWNOFSA-N 0 1 312.369 3.559 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594026273 1039950919 /nfs/dbraw/zinc/95/09/19/1039950919.db2.gz HYUUKDDALPPGGR-CXAGYDPISA-N 0 1 304.390 3.689 20 5 DHBDMN CC[C@H](N[C@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102478 1040067055 /nfs/dbraw/zinc/06/70/55/1040067055.db2.gz INKCWYHGIWPJKC-KKXDTOCCSA-N 0 1 314.385 3.758 20 5 DHBDMN CCC(CC)CCC[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000595279447 1040095796 /nfs/dbraw/zinc/09/57/96/1040095796.db2.gz NYNJMFIPPXILMN-UHFFFAOYSA-N 0 1 322.405 3.941 20 5 DHBDMN CCSCC[C@@H](C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595377399 1040127528 /nfs/dbraw/zinc/12/75/28/1040127528.db2.gz NHUBLGDQQIJJGT-LLVKDONJSA-N 0 1 300.399 3.697 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595409251 1040130220 /nfs/dbraw/zinc/13/02/20/1040130220.db2.gz COHXHBXRTIDION-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN O=[N+]([O-])c1ccc(NCCCN2CCc3ccccc3C2)s1 ZINC000064029449 1040642922 /nfs/dbraw/zinc/64/29/22/1040642922.db2.gz QGVYFHYQCUZYSK-UHFFFAOYSA-N 0 1 317.414 3.517 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@@H]4C[C@@H]4C3)cs2)c1 ZINC000597223595 1040702335 /nfs/dbraw/zinc/70/23/35/1040702335.db2.gz QOGXIMOKEQPCPS-DGCLKSJQSA-N 0 1 315.398 3.560 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2cccnc2)C1 ZINC000602854946 1041263834 /nfs/dbraw/zinc/26/38/34/1041263834.db2.gz NWSRISKBGJBTEQ-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN COCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568066 130042745 /nfs/dbraw/zinc/04/27/45/130042745.db2.gz FOILXGOZCRQSOQ-BBRMVZONSA-N 0 1 318.373 3.925 20 5 DHBDMN CC(C)Oc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173326960 333071895 /nfs/dbraw/zinc/07/18/95/333071895.db2.gz DHNPAQDSJSJDSM-CYBMUJFWSA-N 0 1 315.373 3.628 20 5 DHBDMN COc1ccc(CNCc2ccc(C(F)F)cc2)cc1[N+](=O)[O-] ZINC000185176734 333204956 /nfs/dbraw/zinc/20/49/56/333204956.db2.gz PIZFCLIHXXAJAO-UHFFFAOYSA-N 0 1 322.311 3.831 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000271483683 334023877 /nfs/dbraw/zinc/02/38/77/334023877.db2.gz KQYYZEXYRDOCNA-CQSZACIVSA-N 0 1 313.401 3.820 20 5 DHBDMN C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cscn1 ZINC000272261003 334031890 /nfs/dbraw/zinc/03/18/90/334031890.db2.gz APDORDRBNACJRR-SECBINFHSA-N 0 1 311.794 3.598 20 5 DHBDMN COCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507113 334036287 /nfs/dbraw/zinc/03/62/87/334036287.db2.gz FNSGLRONQMBHCW-BBRMVZONSA-N 0 1 318.373 3.925 20 5 DHBDMN Cc1c([C@H](C)N[C@@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357173 334707437 /nfs/dbraw/zinc/70/74/37/334707437.db2.gz GGZLBHCEILXJSE-SUMWQHHRSA-N 0 1 312.369 3.825 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3C4CCC3CC4)cs2)c1 ZINC000535779827 335765388 /nfs/dbraw/zinc/76/53/88/335765388.db2.gz DBZZOOBEHBQBSY-UHFFFAOYSA-N 0 1 315.398 3.845 20 5 DHBDMN CCO[C@@H]1C[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609046 336226761 /nfs/dbraw/zinc/22/67/61/336226761.db2.gz QNDMCYUZANMGQY-JKSUJKDBSA-N 0 1 322.380 3.513 20 5 DHBDMN CC(C)OCC(C)(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000396415484 336280113 /nfs/dbraw/zinc/28/01/13/336280113.db2.gz KEHYXKYFZNZIGS-UHFFFAOYSA-N 0 1 300.786 3.541 20 5 DHBDMN C[C@@H](CNc1sccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000301976223 336340880 /nfs/dbraw/zinc/34/08/80/336340880.db2.gz CJYYOPIJJUPPKZ-LBPRGKRZSA-N 0 1 317.414 3.515 20 5 DHBDMN CSc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1C ZINC000356764999 336560313 /nfs/dbraw/zinc/56/03/13/336560313.db2.gz CUESTWHHKWTYFT-UHFFFAOYSA-N 0 1 318.354 3.583 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357989010 336605116 /nfs/dbraw/zinc/60/51/16/336605116.db2.gz GFTDWNOXGXCSLD-MEDUHNTESA-N 0 1 316.405 3.747 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(-c2ccncc2)cc1 ZINC000371763144 336912416 /nfs/dbraw/zinc/91/24/16/336912416.db2.gz UZVBBURCIHJGNE-UHFFFAOYSA-N 0 1 319.364 3.947 20 5 DHBDMN CSCC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182339480 337187972 /nfs/dbraw/zinc/18/79/72/337187972.db2.gz NIXZRXPFDOWUHJ-SNVBAGLBSA-N 0 1 302.827 3.822 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CNCc3cccc(C4CC4)c3)nc2c1 ZINC000421395248 337530780 /nfs/dbraw/zinc/53/07/80/337530780.db2.gz PXYJKBBEJYSZPA-UHFFFAOYSA-N 0 1 322.368 3.638 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173022 337960234 /nfs/dbraw/zinc/96/02/34/337960234.db2.gz NSWNAWDUHOPDPX-MRXNPFEDSA-N 0 1 316.332 3.737 20 5 DHBDMN CSC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429287645 338076568 /nfs/dbraw/zinc/07/65/68/338076568.db2.gz NKSWSHYXCIRMEE-NSHDSACASA-N 0 1 314.838 3.823 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000429722012 338088523 /nfs/dbraw/zinc/08/85/23/338088523.db2.gz SBEDDKOFZPQKAH-UHFFFAOYSA-N 0 1 316.332 3.604 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000430219404 338101968 /nfs/dbraw/zinc/10/19/68/338101968.db2.gz NSXFLEHQZXNSHC-KRWDZBQOSA-N 0 1 312.369 3.941 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1c1ccccc1 ZINC000430219404 338101969 /nfs/dbraw/zinc/10/19/69/338101969.db2.gz NSXFLEHQZXNSHC-KRWDZBQOSA-N 0 1 312.369 3.941 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccccc1)C1CC1 ZINC000430226085 338102181 /nfs/dbraw/zinc/10/21/81/338102181.db2.gz ZWXVLZOUUQBMNK-GOSISDBHSA-N 0 1 312.369 3.844 20 5 DHBDMN CC(C)c1cccc(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000432543791 338158507 /nfs/dbraw/zinc/15/85/07/338158507.db2.gz ANSLNJBPQRXBSN-UHFFFAOYSA-N 0 1 314.341 3.700 20 5 DHBDMN CC(C)C1CCC(N(C)C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000432565141 338159152 /nfs/dbraw/zinc/15/91/52/338159152.db2.gz HJTXDXVKTNNHBK-UHFFFAOYSA-N 0 1 320.389 3.587 20 5 DHBDMN CC1(C)CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000435053718 338231100 /nfs/dbraw/zinc/23/11/00/338231100.db2.gz VFSGFESRTOTFLT-ALCCZGGFSA-N 0 1 306.431 3.826 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2c(F)cccc21 ZINC000449350589 338616597 /nfs/dbraw/zinc/61/65/97/338616597.db2.gz MKAGMCJSMHNXMW-MRXNPFEDSA-N 0 1 300.333 3.901 20 5 DHBDMN COc1cc(CN2CC[C@H](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678729 339148473 /nfs/dbraw/zinc/14/84/73/339148473.db2.gz GQZNBJDTYJCKIT-GFCCVEGCSA-N 0 1 310.369 3.611 20 5 DHBDMN Cc1c(CN2CC[C@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000470956269 339332794 /nfs/dbraw/zinc/33/27/94/339332794.db2.gz BJKKQINTAZCMGG-PWSUYJOCSA-N 0 1 302.296 3.676 20 5 DHBDMN Cc1cccc(C)c1OCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000501876153 340090160 /nfs/dbraw/zinc/09/01/60/340090160.db2.gz UCASNLVEBYAYNP-UHFFFAOYSA-N 0 1 314.385 3.722 20 5 DHBDMN COc1ccc(CCCN(C)Cc2csc([N+](=O)[O-])c2)cc1 ZINC000502666877 340109926 /nfs/dbraw/zinc/10/99/26/340109926.db2.gz OKJDZPNRBXJMCC-UHFFFAOYSA-N 0 1 320.414 3.730 20 5 DHBDMN CC(C)[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507151185 340209553 /nfs/dbraw/zinc/20/95/53/340209553.db2.gz BGYXJWWTWOIVDK-CYBMUJFWSA-N 0 1 314.332 3.817 20 5 DHBDMN CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)C ZINC000510657044 340305393 /nfs/dbraw/zinc/30/53/93/340305393.db2.gz ITIUWJVFBUSRSS-UHFFFAOYSA-N 0 1 302.321 3.674 20 5 DHBDMN C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1sccc1Cl ZINC000511120255 340321392 /nfs/dbraw/zinc/32/13/92/340321392.db2.gz CNLPIPDUPQFGSP-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1sccc1Cl ZINC000511120255 340321393 /nfs/dbraw/zinc/32/13/93/340321393.db2.gz CNLPIPDUPQFGSP-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNC/C=C\c1ccc(F)c(F)c1 ZINC000512129259 340349277 /nfs/dbraw/zinc/34/92/77/340349277.db2.gz KCECTYQJVDKLAQ-ARJAWSKDSA-N 0 1 304.296 3.676 20 5 DHBDMN Cc1c(CNCc2cc(F)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000231884419 340627261 /nfs/dbraw/zinc/62/72/61/340627261.db2.gz DEMCCXRYGAIDBH-UHFFFAOYSA-N 0 1 308.740 3.986 20 5 DHBDMN COc1cc(F)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539061571 340869370 /nfs/dbraw/zinc/86/93/70/340869370.db2.gz WEQIMBMTSUDMKV-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000539234411 340877724 /nfs/dbraw/zinc/87/77/24/340877724.db2.gz RUSUACGUUMWUBX-LLVKDONJSA-N 0 1 322.311 3.603 20 5 DHBDMN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000540191617 340922604 /nfs/dbraw/zinc/92/26/04/340922604.db2.gz RNSLNBJXEHEYGW-DIFFPNOSSA-N 0 1 300.333 3.757 20 5 DHBDMN COc1cccc(CN(C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000542699299 341017785 /nfs/dbraw/zinc/01/77/85/341017785.db2.gz GLASOUDRFNNLNW-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN CCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000547853026 341237794 /nfs/dbraw/zinc/23/77/94/341237794.db2.gz UYBCNMUDUWFVAX-UHFFFAOYSA-N 0 1 324.384 3.883 20 5 DHBDMN C[C@@H](C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000549405333 341293398 /nfs/dbraw/zinc/29/33/98/341293398.db2.gz LDDUCIYESDLLRT-ZDUSSCGKSA-N 0 1 300.358 3.536 20 5 DHBDMN C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C ZINC000549859823 341305144 /nfs/dbraw/zinc/30/51/44/341305144.db2.gz BJKLYOQHAMQFQH-NXEZZACHSA-N 0 1 302.296 3.701 20 5 DHBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000549928243 341307159 /nfs/dbraw/zinc/30/71/59/341307159.db2.gz LDCWSMTWDFXKGK-UHFFFAOYSA-N 0 1 322.311 3.604 20 5 DHBDMN C[C@@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000245845838 341315949 /nfs/dbraw/zinc/31/59/49/341315949.db2.gz IJNBQLTZYIPSSE-OLZOCXBDSA-N 0 1 315.373 3.870 20 5 DHBDMN CC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1c(C)noc1C ZINC000577963088 341959630 /nfs/dbraw/zinc/95/96/30/341959630.db2.gz OFTULOUZKYMVER-CABCVRRESA-N 0 1 315.373 3.928 20 5 DHBDMN CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCc2cccnc21 ZINC000364998084 521353775 /nfs/dbraw/zinc/35/37/75/521353775.db2.gz FDYUDOYBFHVTHS-QGZVFWFLSA-N 0 1 311.385 3.889 20 5 DHBDMN CC[C@@H](NCc1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000181542838 522887418 /nfs/dbraw/zinc/88/74/18/522887418.db2.gz VBFMIMLLUILKGL-CQSZACIVSA-N 0 1 305.765 3.884 20 5 DHBDMN Cc1c(CN2CCC(OC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000162238049 525706284 /nfs/dbraw/zinc/70/62/84/525706284.db2.gz LFDINMGTCPXJHM-UHFFFAOYSA-N 0 1 306.406 3.683 20 5 DHBDMN CS[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127946020 525884426 /nfs/dbraw/zinc/88/44/26/525884426.db2.gz XFMOPVJLOUWIKB-SNVBAGLBSA-N 0 1 323.443 3.559 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCCC3(CCOCC3)C2)c1 ZINC000265985599 527354994 /nfs/dbraw/zinc/35/49/94/527354994.db2.gz CVRXCWDWRCDRDC-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CCSc1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000274409381 535743005 /nfs/dbraw/zinc/74/30/05/535743005.db2.gz HWUWZIIPBSIYIB-UHFFFAOYSA-N 0 1 302.399 3.997 20 5 DHBDMN COc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000086585947 1013107218 /nfs/dbraw/zinc/10/72/18/1013107218.db2.gz DJXAPBBHSOAGPJ-UHFFFAOYSA-N 0 1 306.749 3.547 20 5 DHBDMN CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000176981773 1013693821 /nfs/dbraw/zinc/69/38/21/1013693821.db2.gz DOYRVBMTOIKESM-UHFFFAOYSA-N 0 1 311.341 3.758 20 5 DHBDMN CCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccccc1 ZINC000176981773 1013693826 /nfs/dbraw/zinc/69/38/26/1013693826.db2.gz DOYRVBMTOIKESM-UHFFFAOYSA-N 0 1 311.341 3.758 20 5 DHBDMN COc1ccc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000323050720 1014518730 /nfs/dbraw/zinc/51/87/30/1014518730.db2.gz GWPHPVRTXMNCFU-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)[C@@H](C)CC ZINC000521072007 1014637984 /nfs/dbraw/zinc/63/79/84/1014637984.db2.gz IYEJWTHESIYPJV-NSHDSACASA-N 0 1 318.377 3.512 20 5 DHBDMN O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610505475 1014808673 /nfs/dbraw/zinc/80/86/73/1014808673.db2.gz MBZSGYKTQTTWEW-QGZVFWFLSA-N 0 1 300.333 3.723 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000610505475 1014808689 /nfs/dbraw/zinc/80/86/89/1014808689.db2.gz MBZSGYKTQTTWEW-QGZVFWFLSA-N 0 1 300.333 3.723 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3C4CCCC3CCC4)nc2c1 ZINC000610582738 1015636357 /nfs/dbraw/zinc/63/63/57/1015636357.db2.gz SWXRDBXJLVWQEV-UHFFFAOYSA-N 0 1 301.346 3.643 20 5 DHBDMN Cc1ccccc1[C@H](CC(C)C)NCc1c([N+](=O)[O-])ncn1C ZINC000341701832 1015682809 /nfs/dbraw/zinc/68/28/09/1015682809.db2.gz JSXQSLKNYLEGKN-HNNXBMFYSA-N 0 1 316.405 3.514 20 5 DHBDMN Cc1ccc2nc(CNc3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000342440916 1016457556 /nfs/dbraw/zinc/45/75/56/1016457556.db2.gz SXTLZZOWVMSZML-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN O=[N+]([O-])c1cccc(CN[C@H]2CCSc3ccccc32)c1 ZINC000034996513 1011957719 /nfs/dbraw/zinc/95/77/19/1011957719.db2.gz MQZXNGUENHOMBZ-HNNXBMFYSA-N 0 1 300.383 3.922 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cnccc1C ZINC000475555170 1017425356 /nfs/dbraw/zinc/42/53/56/1017425356.db2.gz LIOCZIPFUDZMBW-NTEUORMPSA-N 0 1 311.385 3.834 20 5 DHBDMN Cc1cccc(C)c1[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686034 1017614556 /nfs/dbraw/zinc/61/45/56/1017614556.db2.gz ULCWXQKDKIPMGE-CYBMUJFWSA-N 0 1 324.384 3.939 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(CCCC4)CC3)nc2c1 ZINC000083207114 1017627115 /nfs/dbraw/zinc/62/71/15/1017627115.db2.gz WVDVQPOUAPUZCT-UHFFFAOYSA-N 0 1 315.373 3.892 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC12CCC2 ZINC000444775949 1017675029 /nfs/dbraw/zinc/67/50/29/1017675029.db2.gz BIQQDVPJCGWTLI-UHFFFAOYSA-N 0 1 304.390 3.901 20 5 DHBDMN Cc1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)ccc1[N+](=O)[O-] ZINC000444861878 1017705605 /nfs/dbraw/zinc/70/56/05/1017705605.db2.gz BCLPLDKLQRAUMB-UHFFFAOYSA-N 0 1 302.378 3.560 20 5 DHBDMN Cc1nc(C)c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000040518619 1018178387 /nfs/dbraw/zinc/17/83/87/1018178387.db2.gz QYOZWQYPBGPTNS-SNVBAGLBSA-N 0 1 305.403 3.827 20 5 DHBDMN Cc1nn(CN2CC[C@H](C)C3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000764956292 1018436602 /nfs/dbraw/zinc/43/66/02/1018436602.db2.gz SCRSHJZSYUQVGZ-ZDUSSCGKSA-N 0 1 320.437 3.658 20 5 DHBDMN CC(C)N1CC[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001228150869 1018452982 /nfs/dbraw/zinc/45/29/82/1018452982.db2.gz BYMLCDUXFUCJQN-SECBINFHSA-N 0 1 319.188 3.763 20 5 DHBDMN CN(Cc1ccc(OC(F)F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977588 1018508957 /nfs/dbraw/zinc/50/89/57/1018508957.db2.gz ASRLUAASKKMYOU-UHFFFAOYSA-N 0 1 322.311 3.828 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278375526 1018630597 /nfs/dbraw/zinc/63/05/97/1018630597.db2.gz LDGDFWLQDGPNFT-LLVKDONJSA-N 0 1 302.296 3.678 20 5 DHBDMN CC[C@@H](NCc1cnn(C2CCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000921819251 1018899431 /nfs/dbraw/zinc/89/94/31/1018899431.db2.gz WUYUTGBSQFHFOX-QGZVFWFLSA-N 0 1 314.389 3.757 20 5 DHBDMN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccccc1[N+](=O)[O-] ZINC000921968037 1019232521 /nfs/dbraw/zinc/23/25/21/1019232521.db2.gz VZQPBLZYPLECRF-STQMWFEESA-N 0 1 312.369 3.769 20 5 DHBDMN COc1ccc(-c2ccc(CN3CC=CCC3)o2)c([N+](=O)[O-])c1 ZINC000611521255 1019507906 /nfs/dbraw/zinc/50/79/06/1019507906.db2.gz YATKDKWCGXRXLA-UHFFFAOYSA-N 0 1 314.341 3.625 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](c2ccccc2F)C1 ZINC000730432216 1019987623 /nfs/dbraw/zinc/98/76/23/1019987623.db2.gz AEORMBHOQYQHEQ-LBPRGKRZSA-N 0 1 318.323 3.863 20 5 DHBDMN Cc1cccc(C(=O)Nc2ccc(Cl)cc2O)c1[N+](=O)[O-] ZINC000153545968 1020333452 /nfs/dbraw/zinc/33/34/52/1020333452.db2.gz QPYKTHPPDHPCMA-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN Cc1cc(N[C@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000125929905 1020362013 /nfs/dbraw/zinc/36/20/13/1020362013.db2.gz ODZINKYAHKFHOE-LBPRGKRZSA-N 0 1 315.373 3.821 20 5 DHBDMN Cn1cccc1[C@@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179704931 1020433863 /nfs/dbraw/zinc/43/38/63/1020433863.db2.gz NVVMAWOJTJQMLM-PYJQOMOHSA-N 0 1 311.385 3.784 20 5 DHBDMN Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000734085821 1020558431 /nfs/dbraw/zinc/55/84/31/1020558431.db2.gz BHDBTWIRBQJKIQ-UKRRQHHQSA-N 0 1 314.341 3.724 20 5 DHBDMN Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000734085819 1020558472 /nfs/dbraw/zinc/55/84/72/1020558472.db2.gz BHDBTWIRBQJKIQ-DZGCQCFKSA-N 0 1 314.341 3.724 20 5 DHBDMN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000735487747 1020738064 /nfs/dbraw/zinc/73/80/64/1020738064.db2.gz YOESDYZVODBABQ-MRVPVSSYSA-N 0 1 317.736 3.693 20 5 DHBDMN C[C@@H]1C[C@@H](C)N(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000740860733 1020954882 /nfs/dbraw/zinc/95/48/82/1020954882.db2.gz RJSVNIHYZCMGAE-NXEZZACHSA-N 0 1 307.375 3.560 20 5 DHBDMN CCC[C@]1(C)CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743404569 1021287790 /nfs/dbraw/zinc/28/77/90/1021287790.db2.gz AGWDFIFGOMVMSS-QGZVFWFLSA-N 0 1 316.405 3.804 20 5 DHBDMN Cc1ccsc1[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020849 1032979755 /nfs/dbraw/zinc/97/97/55/1032979755.db2.gz JBUNVTTXZZDLNS-DOMZBBRYSA-N 0 1 320.414 3.657 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530186 1021581683 /nfs/dbraw/zinc/58/16/83/1021581683.db2.gz WMQYCLQGMODCQI-IWEFOYFVSA-N 0 1 312.369 3.732 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1F ZINC000852593088 1022145198 /nfs/dbraw/zinc/14/51/98/1022145198.db2.gz CFPRBYOKNRNTRQ-KRWDZBQOSA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(CC[C@H]1CCCCO1)C1CC1 ZINC000347480635 1022272034 /nfs/dbraw/zinc/27/20/34/1022272034.db2.gz FPPIQYGTJNXENZ-MRXNPFEDSA-N 0 1 304.390 3.518 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609497081 1022292238 /nfs/dbraw/zinc/29/22/38/1022292238.db2.gz VHAZTLLQDZTEGN-UHFFFAOYSA-N 0 1 320.711 3.876 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCS[C@@H](c2ccccc2)C1 ZINC000609800545 1022354566 /nfs/dbraw/zinc/35/45/66/1022354566.db2.gz MTIHKGXUQDOXCR-QGZVFWFLSA-N 0 1 314.410 3.885 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](CC(F)(F)F)C1 ZINC000278826267 1022387269 /nfs/dbraw/zinc/38/72/69/1022387269.db2.gz QBENAVOSWZJHQO-QWRGUYRKSA-N 0 1 302.296 3.930 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1COCc3ccccc31)CCC2 ZINC000417373960 1022706315 /nfs/dbraw/zinc/70/63/15/1022706315.db2.gz YPVIOSIALYUBOM-OALUTQOASA-N 0 1 324.380 3.833 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1F ZINC000859564864 1033171455 /nfs/dbraw/zinc/17/14/55/1033171455.db2.gz QFVXRJLWUVSFDJ-KRWDZBQOSA-N 0 1 315.348 3.760 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000788972874 1023957883 /nfs/dbraw/zinc/95/78/83/1023957883.db2.gz JHRNJLCAUSZKFF-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN COc1ccccc1C(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000103172053 1024552143 /nfs/dbraw/zinc/55/21/43/1024552143.db2.gz QWMLIMAJPKBJMJ-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN CN(Cc1cc(Cl)ccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000339127718 1024571388 /nfs/dbraw/zinc/57/13/88/1024571388.db2.gz IGQKPIJOZFLZAO-UHFFFAOYSA-N 0 1 324.739 3.725 20 5 DHBDMN Cc1ccccc1[C@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532247810 1024584830 /nfs/dbraw/zinc/58/48/30/1024584830.db2.gz FRERGSUUPCEULG-KSSFIOAISA-N 0 1 314.385 3.596 20 5 DHBDMN Cc1c2ccccc2oc1[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000791970756 1024606922 /nfs/dbraw/zinc/60/69/22/1024606922.db2.gz SLGIDVAJVAXHLS-JTQLQIEISA-N 0 1 314.297 3.896 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000109781003 1024695935 /nfs/dbraw/zinc/69/59/35/1024695935.db2.gz ZZRFKLSIFPORIY-GFCCVEGCSA-N 0 1 316.357 3.502 20 5 DHBDMN CC1(C)C[C@@H](NCc2cccc(O)c2)c2cc([N+](=O)[O-])ccc21 ZINC000279048170 1024701970 /nfs/dbraw/zinc/70/19/70/1024701970.db2.gz JZBHHQHYIQWYOL-QGZVFWFLSA-N 0 1 312.369 3.813 20 5 DHBDMN CCC[C@@H](N[C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344244 1024704767 /nfs/dbraw/zinc/70/47/67/1024704767.db2.gz RFDWCQFKINPMAE-HZPDHXFCSA-N 0 1 320.414 3.821 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC2(Cl)Cl)c1 ZINC000877087691 1033236428 /nfs/dbraw/zinc/23/64/28/1033236428.db2.gz PLDSVPAUURIDMI-MRVPVSSYSA-N 0 1 309.580 3.532 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OC(C)(C)C)CC1 ZINC000119033452 1024940278 /nfs/dbraw/zinc/94/02/78/1024940278.db2.gz RJIZWWPKHOFSIW-CYBMUJFWSA-N 0 1 306.406 3.935 20 5 DHBDMN C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1c(F)cccc1Cl ZINC000747154686 1025187437 /nfs/dbraw/zinc/18/74/37/1025187437.db2.gz SWLYMTYLSVBTOV-ZETCQYMHSA-N 0 1 312.684 3.633 20 5 DHBDMN C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000028856351 1025272643 /nfs/dbraw/zinc/27/26/43/1025272643.db2.gz MUVWLHRLFAFAKX-SECBINFHSA-N 0 1 306.391 3.864 20 5 DHBDMN C[C@@H](CNCc1ncc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000897466410 1025370021 /nfs/dbraw/zinc/37/00/21/1025370021.db2.gz TXQDUTZCRHYBKI-VIFPVBQESA-N 0 1 311.794 3.598 20 5 DHBDMN CC(C)(C)OCCCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354803072 1025507516 /nfs/dbraw/zinc/50/75/16/1025507516.db2.gz CGMSZJOFJWEOHB-UHFFFAOYSA-N 0 1 306.406 3.548 20 5 DHBDMN CC(C)(C)OCCCCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354803072 1025507527 /nfs/dbraw/zinc/50/75/27/1025507527.db2.gz CGMSZJOFJWEOHB-UHFFFAOYSA-N 0 1 306.406 3.548 20 5 DHBDMN CC[C@@H](NCc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000886107479 1025508159 /nfs/dbraw/zinc/50/81/59/1025508159.db2.gz RZSUYOQRQNOQNV-CQSZACIVSA-N 0 1 305.765 3.884 20 5 DHBDMN CCC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356224247 1025987209 /nfs/dbraw/zinc/98/72/09/1025987209.db2.gz PMIIJLXVYCMXTM-INIZCTEOSA-N 0 1 314.341 3.572 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CSCCc2ccccc21 ZINC000089512639 1026051446 /nfs/dbraw/zinc/05/14/46/1026051446.db2.gz BLXUISAWIDRPFQ-INIZCTEOSA-N 0 1 314.410 3.715 20 5 DHBDMN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000089513380 1026054544 /nfs/dbraw/zinc/05/45/44/1026054544.db2.gz IWZWRWOMBDUZNO-QGZVFWFLSA-N 0 1 312.369 3.907 20 5 DHBDMN C[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883529 1026072185 /nfs/dbraw/zinc/07/21/85/1026072185.db2.gz PSXZGMONEDZKQM-LBPRGKRZSA-N 0 1 301.346 3.624 20 5 DHBDMN Cc1c(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000052306336 1026275488 /nfs/dbraw/zinc/27/54/88/1026275488.db2.gz DAGMGTMAKGEAKH-UHFFFAOYSA-N 0 1 324.380 3.898 20 5 DHBDMN Cc1c(CN2CC=C(c3ccc(O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000052306336 1026275497 /nfs/dbraw/zinc/27/54/97/1026275497.db2.gz DAGMGTMAKGEAKH-UHFFFAOYSA-N 0 1 324.380 3.898 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280166774 1026604185 /nfs/dbraw/zinc/60/41/85/1026604185.db2.gz FSONCCVBZFSYNT-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN CC(C)c1ccc(CN2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421366202 1026966459 /nfs/dbraw/zinc/96/64/59/1026966459.db2.gz BYHKTQXVJVPQMJ-HNNXBMFYSA-N 0 1 318.417 3.598 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCSc3ccccc32)cc1 ZINC000034996514 1027014899 /nfs/dbraw/zinc/01/48/99/1027014899.db2.gz UQUAERCSUSDGSE-OAHLLOKOSA-N 0 1 300.383 3.922 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932207075 1027412677 /nfs/dbraw/zinc/41/26/77/1027412677.db2.gz QVFHZZHKGNTHNZ-CQSZACIVSA-N 0 1 317.414 3.506 20 5 DHBDMN Cc1ccc(CN2CC[C@@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000562489001 1027455844 /nfs/dbraw/zinc/45/58/44/1027455844.db2.gz PGJKDFVAOXHDJY-LBPRGKRZSA-N 0 1 302.296 3.678 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC000295897943 1027481072 /nfs/dbraw/zinc/48/10/72/1027481072.db2.gz IDJBKOXVBYAELQ-AWEZNQCLSA-N 0 1 309.369 3.840 20 5 DHBDMN C[C@@H]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576805951 1027662267 /nfs/dbraw/zinc/66/22/67/1027662267.db2.gz WNFJIWBVGOZDFW-ZJUUUORDSA-N 0 1 302.296 3.844 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc(F)c(F)c1 ZINC000577191721 1027724814 /nfs/dbraw/zinc/72/48/14/1027724814.db2.gz USFXXYMKPSMSJW-HNNXBMFYSA-N 0 1 304.296 3.650 20 5 DHBDMN C[C@H](NCc1ccccc1OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296756404 1027727292 /nfs/dbraw/zinc/72/72/92/1027727292.db2.gz QDRNZHUXJVOWTD-ZDUSSCGKSA-N 0 1 312.369 3.987 20 5 DHBDMN O=[N+]([O-])c1c(NCc2ccc3nc[nH]c3c2)ccc2cnccc21 ZINC000600853155 1027865784 /nfs/dbraw/zinc/86/57/84/1027865784.db2.gz XJYBLWULFJNGRS-UHFFFAOYSA-N 0 1 319.324 3.631 20 5 DHBDMN CCN(Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000485739365 1027922627 /nfs/dbraw/zinc/92/26/27/1027922627.db2.gz RPPRCFPJPHVHFV-UHFFFAOYSA-N 0 1 318.348 3.765 20 5 DHBDMN Cc1ncc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299987 1028068247 /nfs/dbraw/zinc/06/82/47/1028068247.db2.gz RWZOOXHPYNCXSV-NOZJJQNGSA-N 0 1 303.387 3.698 20 5 DHBDMN CCn1cc([C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cn1 ZINC000449672424 1028898050 /nfs/dbraw/zinc/89/80/50/1028898050.db2.gz WDAAXNZBHGATTO-ZDUSSCGKSA-N 0 1 316.405 3.785 20 5 DHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000411891081 1029237440 /nfs/dbraw/zinc/23/74/40/1029237440.db2.gz ZSTCWCUFIBLJJW-INIZCTEOSA-N 0 1 300.358 3.844 20 5 DHBDMN CCCCCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000054352638 1029493707 /nfs/dbraw/zinc/49/37/07/1029493707.db2.gz BIELWFGCQKYNSV-UHFFFAOYSA-N 0 1 318.377 3.512 20 5 DHBDMN Cc1cc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2C(F)F)[nH]n1 ZINC000865622433 1029946585 /nfs/dbraw/zinc/94/65/85/1029946585.db2.gz VYFVKEKFDZHKQM-MRVPVSSYSA-N 0 1 310.304 3.607 20 5 DHBDMN Cc1ccc(CN[C@H](c2ccc(F)cn2)C(C)C)cc1[N+](=O)[O-] ZINC000866540529 1030360255 /nfs/dbraw/zinc/36/02/55/1030360255.db2.gz PZTMRVWSHAAYGO-KRWDZBQOSA-N 0 1 317.364 3.924 20 5 DHBDMN COCc1ccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000339076220 1030457427 /nfs/dbraw/zinc/45/74/27/1030457427.db2.gz YEAATPPEGNIANV-CYBMUJFWSA-N 0 1 300.358 3.592 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cccc(C)n1 ZINC000347379513 1030483819 /nfs/dbraw/zinc/48/38/19/1030483819.db2.gz VNKZABSHEWXVER-UVTDQMKNSA-N 0 1 311.385 3.834 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(C)n1 ZINC000347379513 1030483827 /nfs/dbraw/zinc/48/38/27/1030483827.db2.gz VNKZABSHEWXVER-UVTDQMKNSA-N 0 1 311.385 3.834 20 5 DHBDMN CCCCn1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358657330 1030575068 /nfs/dbraw/zinc/57/50/68/1030575068.db2.gz RUKGDXNYWVBEGV-CYBMUJFWSA-N 0 1 316.405 3.751 20 5 DHBDMN Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)ccc1C1CC1 ZINC000358886738 1030666151 /nfs/dbraw/zinc/66/61/51/1030666151.db2.gz MQASSNQDXNTXRO-UHFFFAOYSA-N 0 1 312.325 3.739 20 5 DHBDMN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000926492976 1030764125 /nfs/dbraw/zinc/76/41/25/1030764125.db2.gz KCWXFYLDQCSZFX-STQMWFEESA-N 0 1 314.389 3.928 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2ccnn2C2CCC2)cc1[N+](=O)[O-] ZINC000926797015 1030935360 /nfs/dbraw/zinc/93/53/60/1030935360.db2.gz QJZGXKXCCZMHSQ-ZDUSSCGKSA-N 0 1 314.389 3.676 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](OC(F)F)C1 ZINC000611579724 1031108599 /nfs/dbraw/zinc/10/85/99/1031108599.db2.gz NRIXTWXRFQJGAR-YPMHNXCESA-N 0 1 314.332 3.668 20 5 DHBDMN C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559108124 1031127607 /nfs/dbraw/zinc/12/76/07/1031127607.db2.gz ZZAHGIVMOFXEIA-SUMWQHHRSA-N 0 1 312.369 3.678 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(F)c(F)c1 ZINC000873023686 1031696310 /nfs/dbraw/zinc/69/63/10/1031696310.db2.gz RXWJTGGUAJWNIO-UHFFFAOYSA-N 0 1 306.312 3.780 20 5 DHBDMN Cc1nn(CN2CCCC[C@@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000760408440 1031706768 /nfs/dbraw/zinc/70/67/68/1031706768.db2.gz MZRWLYOIVPPTEI-OAHLLOKOSA-N 0 1 308.426 3.656 20 5 DHBDMN CCSc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccn1 ZINC000873109303 1031711973 /nfs/dbraw/zinc/71/19/73/1031711973.db2.gz LLDCQYMLZMAZNN-UHFFFAOYSA-N 0 1 317.414 3.700 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1COCc2ccccc21 ZINC000873131986 1031720995 /nfs/dbraw/zinc/72/09/95/1031720995.db2.gz BRBBKAHLVCIBRB-QGZVFWFLSA-N 0 1 312.369 3.573 20 5 DHBDMN CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000153493666 1033581960 /nfs/dbraw/zinc/58/19/60/1033581960.db2.gz ZHNBYDGIWPYXMO-UHFFFAOYSA-N 0 1 301.346 3.624 20 5 DHBDMN CC(C)(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000175989456 1034062680 /nfs/dbraw/zinc/06/26/80/1034062680.db2.gz BOIOBVVAYZFPGZ-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN Cc1cncc([C@@H]2CCC[N@H+]2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000879746615 1034107846 /nfs/dbraw/zinc/10/78/46/1034107846.db2.gz BSTGDZRDKUJMCO-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN Cc1cncc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000879746615 1034107856 /nfs/dbraw/zinc/10/78/56/1034107856.db2.gz BSTGDZRDKUJMCO-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@](C)(C(F)(F)F)C1 ZINC000879998810 1034172597 /nfs/dbraw/zinc/17/25/97/1034172597.db2.gz ASFFLFUNFADKJX-ZWNOBZJWSA-N 0 1 302.296 3.930 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC[C@H]2CCC3(CCCCC3)O2)c(F)c1 ZINC000480456751 1034252239 /nfs/dbraw/zinc/25/22/39/1034252239.db2.gz RWVHHDXLLSCJIF-OAHLLOKOSA-N 0 1 322.380 3.705 20 5 DHBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000042098182 1034265086 /nfs/dbraw/zinc/26/50/86/1034265086.db2.gz YDFTYMSPFHIBMP-AWEZNQCLSA-N 0 1 309.366 3.510 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](c3nccs3)C2)c1 ZINC000880317512 1034292261 /nfs/dbraw/zinc/29/22/61/1034292261.db2.gz OXRDTILVFRNLEC-SNVBAGLBSA-N 0 1 323.805 3.694 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](c3nccs3)C2)ccc1Cl ZINC000880320346 1034295397 /nfs/dbraw/zinc/29/53/97/1034295397.db2.gz SLICSUUMDSVLHF-LLVKDONJSA-N 0 1 323.805 3.694 20 5 DHBDMN CCS[C@@H]1CCCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000480853345 1034475667 /nfs/dbraw/zinc/47/56/67/1034475667.db2.gz DVCHYYTVEYZPCS-GFCCVEGCSA-N 0 1 312.410 3.842 20 5 DHBDMN Cc1ccc([C@@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1F ZINC000339072750 1034593800 /nfs/dbraw/zinc/59/38/00/1034593800.db2.gz RZRPWZSFZVIJHZ-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN Cc1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)n(-c2ccncc2)n1 ZINC001175902024 1035156509 /nfs/dbraw/zinc/15/65/09/1035156509.db2.gz DEHBWOAHQBCAFU-DHZHZOJOSA-N 0 1 321.340 3.567 20 5 DHBDMN Cc1ccc(CN2CCS[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000539849012 1035900314 /nfs/dbraw/zinc/90/03/14/1035900314.db2.gz HNQOABOSYNHDBL-HOCLYGCPSA-N 0 1 306.431 3.763 20 5 DHBDMN COc1ccc(C2(N[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000540721734 1036140136 /nfs/dbraw/zinc/14/01/36/1036140136.db2.gz CAKFGGCFUARTKW-ZDUSSCGKSA-N 0 1 312.369 3.943 20 5 DHBDMN Cc1cc(N[C@H]2CCCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542121833 1036516047 /nfs/dbraw/zinc/51/60/47/1036516047.db2.gz CUCPRGMQVVWRTK-NSHDSACASA-N 0 1 321.327 3.863 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCOc1ccc(F)cc1 ZINC000487561913 1036676517 /nfs/dbraw/zinc/67/65/17/1036676517.db2.gz PLJVTPLZQSBTLB-ZDUSSCGKSA-N 0 1 318.348 3.806 20 5 DHBDMN CCOc1cc(CN(C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000492795773 1037022323 /nfs/dbraw/zinc/02/23/23/1037022323.db2.gz ZGZBPIWPZWKNHX-UHFFFAOYSA-N 0 1 320.414 3.995 20 5 DHBDMN COc1ccc(C)cc1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000775864255 1037051578 /nfs/dbraw/zinc/05/15/78/1037051578.db2.gz GXCDOEDXRXSPFF-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN Cc1ccc(CN(C)Cc2ccc(F)cc2C)cc1[N+](=O)[O-] ZINC000488570739 1037077418 /nfs/dbraw/zinc/07/74/18/1037077418.db2.gz DXIPGJSQBWQIEB-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN COc1cc(CN2CC=C(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000492970101 1037078201 /nfs/dbraw/zinc/07/82/01/1037078201.db2.gz ACTCJAITIWRTGE-UHFFFAOYSA-N 0 1 304.390 3.782 20 5 DHBDMN CCC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774902335 1037191641 /nfs/dbraw/zinc/19/16/41/1037191641.db2.gz DYSUZZCMCMJIAU-GFCCVEGCSA-N 0 1 307.350 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2cc3cc(Cl)cnc3o2)cc1 ZINC001199580928 1037284298 /nfs/dbraw/zinc/28/42/98/1037284298.db2.gz CZFHFPUFMPQWPU-UHFFFAOYSA-N 0 1 317.732 3.679 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(CCOc2ccccc2)C2CC2)c1 ZINC000490043027 1037592611 /nfs/dbraw/zinc/59/26/11/1037592611.db2.gz AYEIDLFJBQWKRV-UHFFFAOYSA-N 0 1 312.369 3.638 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCc2ccccc21 ZINC000029484799 1037756797 /nfs/dbraw/zinc/75/67/97/1037756797.db2.gz DCLLTOAOYSJMPY-QGZVFWFLSA-N 0 1 312.369 3.723 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cs1 ZINC000589743975 1038535267 /nfs/dbraw/zinc/53/52/67/1038535267.db2.gz VKOWHAMJPSQMSM-RRFJBIMHSA-N 0 1 324.446 3.562 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000590158458 1038593702 /nfs/dbraw/zinc/59/37/02/1038593702.db2.gz GUUIQCLRVYPLBH-CQSZACIVSA-N 0 1 314.307 3.988 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000590158458 1038593711 /nfs/dbraw/zinc/59/37/11/1038593711.db2.gz GUUIQCLRVYPLBH-CQSZACIVSA-N 0 1 314.307 3.988 20 5 DHBDMN CC(C)c1ccc(CN2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695215 1039082433 /nfs/dbraw/zinc/08/24/33/1039082433.db2.gz IKZPEBYIAPLIJI-OAHLLOKOSA-N 0 1 310.344 3.949 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNC1(c2cccc(F)c2)CCC1 ZINC000592144703 1039128067 /nfs/dbraw/zinc/12/80/67/1039128067.db2.gz JHTKYAAQHVWPRA-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN CN(CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000604012071 1039279606 /nfs/dbraw/zinc/27/96/06/1039279606.db2.gz GRBZOWCWXCPHHC-UHFFFAOYSA-N 0 1 318.348 3.635 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN(C)CCCc1ccccc1 ZINC000058580847 1039292884 /nfs/dbraw/zinc/29/28/84/1039292884.db2.gz WILHOHWDNQJUIQ-UHFFFAOYSA-N 0 1 314.385 3.668 20 5 DHBDMN COc1ccccc1[C@H](C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489969 1039794314 /nfs/dbraw/zinc/79/43/14/1039794314.db2.gz IITRKPDVHWCYPI-LRDDRELGSA-N 0 1 312.369 3.942 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](c1ccccc1)[C@H](C)O ZINC000595104716 1040067335 /nfs/dbraw/zinc/06/73/35/1040067335.db2.gz SJCCDVDWJGEIBG-DEYYWGMASA-N 0 1 314.385 3.676 20 5 DHBDMN Cc1noc(CN2CCC[C@H]2c2cccc(C)c2C)c1[N+](=O)[O-] ZINC000595327689 1040100290 /nfs/dbraw/zinc/10/02/90/1040100290.db2.gz QLAKABYTJFVNND-HNNXBMFYSA-N 0 1 315.373 3.845 20 5 DHBDMN CC[C@@H](Cc1ccccc1)N(CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595345178 1040105206 /nfs/dbraw/zinc/10/52/06/1040105206.db2.gz PVSNSAXXIFCIIQ-HNNXBMFYSA-N 0 1 317.389 3.734 20 5 DHBDMN CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000595367412 1040126859 /nfs/dbraw/zinc/12/68/59/1040126859.db2.gz QMSRWVKFZCUFGJ-HNNXBMFYSA-N 0 1 310.369 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC000595500709 1040156380 /nfs/dbraw/zinc/15/63/80/1040156380.db2.gz KGKNTAHHXWCDNL-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN COc1ccc(CN2CC3CC2(c2ccccc2)C3)cc1[N+](=O)[O-] ZINC000595909797 1040273379 /nfs/dbraw/zinc/27/33/79/1040273379.db2.gz DMFLIIAWUGANRS-UHFFFAOYSA-N 0 1 324.380 3.725 20 5 DHBDMN CC[C@@]1(C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000534107171 1040720258 /nfs/dbraw/zinc/72/02/58/1040720258.db2.gz MIZHCNYHHYSUGH-KRWDZBQOSA-N 0 1 315.373 3.872 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CNC3(Cc4ccccc4)CC3)nc2c1 ZINC000602617515 1041118253 /nfs/dbraw/zinc/11/82/53/1041118253.db2.gz UFSHDZVPPVEJTK-UHFFFAOYSA-N 0 1 323.352 3.601 20 5 DHBDMN COCC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272315688 130020076 /nfs/dbraw/zinc/02/00/76/130020076.db2.gz PKRPJWLBZZTVKG-HNNXBMFYSA-N 0 1 318.373 3.672 20 5 DHBDMN COCC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272315689 130021070 /nfs/dbraw/zinc/02/10/70/130021070.db2.gz PKRPJWLBZZTVKG-OAHLLOKOSA-N 0 1 318.373 3.672 20 5 DHBDMN COCC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452032 130031820 /nfs/dbraw/zinc/03/18/20/130031820.db2.gz MQGYFQGHUXFQEP-WFASDCNBSA-N 0 1 304.346 3.616 20 5 DHBDMN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1nccs1 ZINC000272600606 130045885 /nfs/dbraw/zinc/04/58/85/130045885.db2.gz IXXARQUYVAMCDR-VIFPVBQESA-N 0 1 311.794 3.598 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1csc(C)c1 ZINC000297866649 132037636 /nfs/dbraw/zinc/03/76/36/132037636.db2.gz UITGTPKASYVEFM-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000126051664 331992755 /nfs/dbraw/zinc/99/27/55/331992755.db2.gz YKMBNCSLGHQQCG-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN CC[C@@H](NCc1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000129405081 332018890 /nfs/dbraw/zinc/01/88/90/332018890.db2.gz UFDLWIQWBDWSRV-OAHLLOKOSA-N 0 1 314.341 3.564 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000152735154 332564530 /nfs/dbraw/zinc/56/45/30/332564530.db2.gz PVKFZPCJKBXMDN-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN CCC[C@@H](N[C@@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719396 333142927 /nfs/dbraw/zinc/14/29/27/333142927.db2.gz QTDLWKBVXLFSRB-YVEFUNNKSA-N 0 1 316.405 3.829 20 5 DHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H](N)CC(C)C)no1 ZINC000414615993 334042125 /nfs/dbraw/zinc/04/21/25/334042125.db2.gz HKDUMGPGARODRC-CFRMROPGSA-N 0 1 316.361 3.584 20 5 DHBDMN CCC(CC)[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000341597097 334460465 /nfs/dbraw/zinc/46/04/65/334460465.db2.gz NQGOWOISCJPAGB-MRXNPFEDSA-N 0 1 316.405 3.595 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc(CN(C)C)c(F)c2)c1 ZINC000342771862 334575164 /nfs/dbraw/zinc/57/51/64/334575164.db2.gz WOSRPYACMLFEPI-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1COCc3ccccc31)CCC2 ZINC000417373961 334765002 /nfs/dbraw/zinc/76/50/02/334765002.db2.gz YPVIOSIALYUBOM-RBUKOAKNSA-N 0 1 324.380 3.833 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC(CC(F)F)C3)o2)cc1 ZINC000425363835 334839413 /nfs/dbraw/zinc/83/94/13/334839413.db2.gz DABYIKMJLPAGIA-UHFFFAOYSA-N 0 1 322.311 3.942 20 5 DHBDMN Cc1cccc(C(C)(C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000444684764 338482273 /nfs/dbraw/zinc/48/22/73/338482273.db2.gz NXOLKGWWVCXYAL-UHFFFAOYSA-N 0 1 324.384 3.804 20 5 DHBDMN Cc1c(CN[C@H](C)c2cnn(C(C)C)c2)cccc1[N+](=O)[O-] ZINC000348307367 335574953 /nfs/dbraw/zinc/57/49/53/335574953.db2.gz IIJYAXUEENBIPN-CYBMUJFWSA-N 0 1 302.378 3.531 20 5 DHBDMN CCS[C@@H]1CCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370652 336214707 /nfs/dbraw/zinc/21/47/07/336214707.db2.gz BPAVYRXJFNJGQY-UONOGXRCSA-N 0 1 316.373 3.637 20 5 DHBDMN CCS[C@H]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609495 336226816 /nfs/dbraw/zinc/22/68/16/336226816.db2.gz UGVJMSDOWOHXDO-OCCSQVGLSA-N 0 1 312.410 3.840 20 5 DHBDMN CN1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301879372 336335767 /nfs/dbraw/zinc/33/57/67/336335767.db2.gz ZIQZGYVUKFOQPI-RDJZCZTQSA-N 0 1 315.348 3.591 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(Nc2ccn(C3CCCCC3)n2)n1 ZINC000302819185 336370424 /nfs/dbraw/zinc/37/04/24/336370424.db2.gz JHOGBBCJCNOUGW-UHFFFAOYSA-N 0 1 301.350 3.744 20 5 DHBDMN CCSc1cccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356606180 336556057 /nfs/dbraw/zinc/55/60/57/336556057.db2.gz YKYGUXFJTAHLCR-UHFFFAOYSA-N 0 1 318.354 3.665 20 5 DHBDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000357991822 336605273 /nfs/dbraw/zinc/60/52/73/336605273.db2.gz JMJAFVKYBAPXEQ-INIZCTEOSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1csc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000393312186 337091967 /nfs/dbraw/zinc/09/19/67/337091967.db2.gz SXYMBTGUCIJHCQ-UHFFFAOYSA-N 0 1 313.382 3.855 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC4(CCCC4)C3)nc2c1 ZINC000177162983 337154575 /nfs/dbraw/zinc/15/45/75/337154575.db2.gz BNQRNNLHDCIWHE-UHFFFAOYSA-N 0 1 301.346 3.502 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180651031 337176969 /nfs/dbraw/zinc/17/69/69/337176969.db2.gz DYWDWMNGZFEHBT-AWEZNQCLSA-N 0 1 322.368 3.631 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000098173023 337960242 /nfs/dbraw/zinc/96/02/42/337960242.db2.gz NSWNAWDUHOPDPX-INIZCTEOSA-N 0 1 316.332 3.737 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccccc1N(C)C ZINC000515919211 338001172 /nfs/dbraw/zinc/00/11/72/338001172.db2.gz DRFGGRREDNIHFH-UHFFFAOYSA-N 0 1 313.401 3.601 20 5 DHBDMN C[C@]12CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000430081239 338095141 /nfs/dbraw/zinc/09/51/41/338095141.db2.gz AIWQFXLRESIBJL-WBNAFJIESA-N 0 1 308.328 3.585 20 5 DHBDMN C[C@]12CCN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000430081233 338095147 /nfs/dbraw/zinc/09/51/47/338095147.db2.gz AIWQFXLRESIBJL-VASHYATMSA-N 0 1 308.328 3.585 20 5 DHBDMN CCSCC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194301 338100637 /nfs/dbraw/zinc/10/06/37/338100637.db2.gz JANFDLOJAOSNNS-GFCCVEGCSA-N 0 1 312.435 3.567 20 5 DHBDMN CC1(C)CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CCS1 ZINC000434674179 338222940 /nfs/dbraw/zinc/22/29/40/338222940.db2.gz HSBIQCKKYDZZHI-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN COc1cc(C)ccc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449243895 338606066 /nfs/dbraw/zinc/60/60/66/338606066.db2.gz ODRJFEBSFBYAEI-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(CC4)C3)s2)cc1 ZINC000449370995 338618638 /nfs/dbraw/zinc/61/86/38/338618638.db2.gz PDTBMYRYFPDQKB-UHFFFAOYSA-N 0 1 300.383 3.919 20 5 DHBDMN CC1(C)[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451477128 338736123 /nfs/dbraw/zinc/73/61/23/338736123.db2.gz HEWATUIZSRSGED-VCTAVGKDSA-N 0 1 324.808 3.541 20 5 DHBDMN Cc1cccc2nc(CNc3cc(C)c([N+](=O)[O-])cc3F)[nH]c21 ZINC000461936124 339069176 /nfs/dbraw/zinc/06/91/76/339069176.db2.gz MAQXMHDBRHEOBT-UHFFFAOYSA-N 0 1 314.320 3.839 20 5 DHBDMN COc1cc(CN2CCC3(C2)CCCCC3)c([N+](=O)[O-])cc1F ZINC000464692538 339148996 /nfs/dbraw/zinc/14/89/96/339148996.db2.gz QHWOBBIPBVBGJR-UHFFFAOYSA-N 0 1 322.380 3.899 20 5 DHBDMN CN(C)Cc1cc(NCc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000466417265 339203567 /nfs/dbraw/zinc/20/35/67/339203567.db2.gz POTKLWAWHGXRJT-UHFFFAOYSA-N 0 1 319.792 3.922 20 5 DHBDMN CN(C)Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000466423294 339204165 /nfs/dbraw/zinc/20/41/65/339204165.db2.gz QHIMITZSTNIEKF-UHFFFAOYSA-N 0 1 319.792 3.922 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(CCc1ccccc1F)C1CC1 ZINC000469900227 339304238 /nfs/dbraw/zinc/30/42/38/339304238.db2.gz VAZQHMZZPGDMKV-UHFFFAOYSA-N 0 1 314.360 3.941 20 5 DHBDMN Cc1c(CN2CC[C@@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000470956267 339332802 /nfs/dbraw/zinc/33/28/02/339332802.db2.gz BJKKQINTAZCMGG-CMPLNLGQSA-N 0 1 302.296 3.676 20 5 DHBDMN C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000471049525 339335831 /nfs/dbraw/zinc/33/58/31/339335831.db2.gz ZMAYKIHXMHJEGL-KDOFPFPSSA-N 0 1 312.369 3.667 20 5 DHBDMN CN(CCCOc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000501804380 340089180 /nfs/dbraw/zinc/08/91/80/340089180.db2.gz KFKJVBYQYPBWSI-UHFFFAOYSA-N 0 1 318.348 3.635 20 5 DHBDMN Cc1ccc(CN(C)CCOc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000506163574 340187280 /nfs/dbraw/zinc/18/72/80/340187280.db2.gz LBKMWIMMIIZCLA-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN CC(C)CN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000506453552 340194894 /nfs/dbraw/zinc/19/48/94/340194894.db2.gz UILOCQOCNLVYDU-UHFFFAOYSA-N 0 1 305.403 3.806 20 5 DHBDMN C[C@H](C[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000507921924 340235834 /nfs/dbraw/zinc/23/58/34/340235834.db2.gz RZFHFNATWKDISK-CYBMUJFWSA-N 0 1 302.349 3.969 20 5 DHBDMN C[C@H](CN(C)Cc1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000507921924 340235835 /nfs/dbraw/zinc/23/58/35/340235835.db2.gz RZFHFNATWKDISK-CYBMUJFWSA-N 0 1 302.349 3.969 20 5 DHBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000512317502 340356865 /nfs/dbraw/zinc/35/68/65/340356865.db2.gz CDDRTFYTLAQSPP-OAHLLOKOSA-N 0 1 314.360 3.723 20 5 DHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccon1 ZINC000542699565 341017889 /nfs/dbraw/zinc/01/78/89/341017889.db2.gz JLXZOCTVDYOTMM-NWDGAFQWSA-N 0 1 321.402 3.804 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384373 341020455 /nfs/dbraw/zinc/02/04/55/341020455.db2.gz BNSUQRPYQORUMC-BLLLJJGKSA-N 0 1 312.369 3.947 20 5 DHBDMN CC(C)(NCc1cnc(C2CC2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000134395894 341214722 /nfs/dbraw/zinc/21/47/22/341214722.db2.gz CYZYXARLXZHTHO-UHFFFAOYSA-N 0 1 317.414 3.954 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000080347077 341273025 /nfs/dbraw/zinc/27/30/25/341273025.db2.gz VEGMLMVBQYSDRN-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN Cc1cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000248393586 341376216 /nfs/dbraw/zinc/37/62/16/341376216.db2.gz XGASXZDPQYUVFC-CLLJXQQHSA-N 0 1 315.373 3.819 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@@H](c1ccc(F)cc1)C1CC1 ZINC000269648018 341611711 /nfs/dbraw/zinc/61/17/11/341611711.db2.gz GYDMQGUSBIGJRX-QGZVFWFLSA-N 0 1 300.333 3.975 20 5 DHBDMN C[C@@H](N[C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000188055878 525688394 /nfs/dbraw/zinc/68/83/94/525688394.db2.gz AMNUFGBGFSHXBZ-BZNIZROVSA-N 0 1 316.332 3.908 20 5 DHBDMN Cc1c([C@@H](C)N[C@@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130438804 525904218 /nfs/dbraw/zinc/90/42/18/525904218.db2.gz VWJRJYPSRIMLME-MLGOLLRUSA-N 0 1 312.369 3.947 20 5 DHBDMN CCOC1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000285362557 535398127 /nfs/dbraw/zinc/39/81/27/535398127.db2.gz BJWXJVBPQFVAKM-UHFFFAOYSA-N 0 1 324.808 3.639 20 5 DHBDMN COCC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587333 536818355 /nfs/dbraw/zinc/81/83/55/536818355.db2.gz RLGYVGVPHWYCPT-HIFRSBDPSA-N 0 1 318.373 3.925 20 5 DHBDMN CSc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000894739513 1013474470 /nfs/dbraw/zinc/47/44/70/1013474470.db2.gz OMWULWOGUXWJQM-UHFFFAOYSA-N 0 1 306.387 3.584 20 5 DHBDMN CN1CC[C@H](Nc2nc3c(ccc4ccccc43)nc2Cl)C1 ZINC001167275582 1013492887 /nfs/dbraw/zinc/49/28/87/1013492887.db2.gz SWZXZXOFVQGTMO-LBPRGKRZSA-N 0 1 312.804 3.552 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000729481527 1013634508 /nfs/dbraw/zinc/63/45/08/1013634508.db2.gz TYCNWGLFUCHHHQ-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN C[C@@H](c1cccs1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734257 974984016 /nfs/dbraw/zinc/98/40/16/974984016.db2.gz CBXLDTITFWUJQT-JTQLQIEISA-N 0 1 320.370 3.548 20 5 DHBDMN C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734257 974984019 /nfs/dbraw/zinc/98/40/19/974984019.db2.gz CBXLDTITFWUJQT-JTQLQIEISA-N 0 1 320.370 3.548 20 5 DHBDMN CC(C)C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736877 974985031 /nfs/dbraw/zinc/98/50/31/974985031.db2.gz BUIDNKSGYCVSKE-OAHLLOKOSA-N 0 1 320.389 3.694 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000580802738 1014356297 /nfs/dbraw/zinc/35/62/97/1014356297.db2.gz OYXZRLTZQHDGRC-XKQJLSEDSA-N 0 1 318.417 3.854 20 5 DHBDMN CC(C)c1ccccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427897622 1014543782 /nfs/dbraw/zinc/54/37/82/1014543782.db2.gz QKNWRCIOGWYWSU-UHFFFAOYSA-N 0 1 300.314 3.676 20 5 DHBDMN Cc1ccc2nc(CN[C@H]3CCc4c3cccc4[N+](=O)[O-])[nH]c2c1 ZINC000581380054 1014752929 /nfs/dbraw/zinc/75/29/29/1014752929.db2.gz GNZRMXWLIKCEFA-AWEZNQCLSA-N 0 1 322.368 3.557 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 ZINC000261367396 1015307111 /nfs/dbraw/zinc/30/71/11/1015307111.db2.gz QRYNOBDMCSLODZ-UHFFFAOYSA-N 0 1 318.130 3.901 20 5 DHBDMN COc1cccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000051324166 1015576289 /nfs/dbraw/zinc/57/62/89/1015576289.db2.gz XZWJOLUOVUHHAR-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN COc1ccc(F)cc1CNC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581994872 1015770178 /nfs/dbraw/zinc/77/01/78/1015770178.db2.gz UOSRCIRRXAIZBD-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN Cc1c(Cl)cc(F)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1F ZINC000342070676 1015912966 /nfs/dbraw/zinc/91/29/66/1015912966.db2.gz SRIFLNHZZPWQQH-UHFFFAOYSA-N 0 1 316.647 3.680 20 5 DHBDMN C[C@H](Cc1ccc(O)cc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000119446588 1016073678 /nfs/dbraw/zinc/07/36/78/1016073678.db2.gz GVEGDLSVQJQWTB-GFCCVEGCSA-N 0 1 318.348 3.503 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1 ZINC000089513281 1032150236 /nfs/dbraw/zinc/15/02/36/1032150236.db2.gz YIHFDZFQOGTUBK-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)cs1 ZINC000537624090 1032327915 /nfs/dbraw/zinc/32/79/15/1032327915.db2.gz SXXMZCGAXDEHKN-ZDUSSCGKSA-N 0 1 320.389 3.860 20 5 DHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000424314222 1011976347 /nfs/dbraw/zinc/97/63/47/1011976347.db2.gz CAKSEBLNDYYAIK-XWIAVFTESA-N 0 1 314.360 3.753 20 5 DHBDMN CC(C)Oc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000178645677 1017374861 /nfs/dbraw/zinc/37/48/61/1017374861.db2.gz LBQRTJZEYBCFGI-ZDUSSCGKSA-N 0 1 315.373 3.628 20 5 DHBDMN CC[C@@H](C)[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651435 1017606215 /nfs/dbraw/zinc/60/62/15/1017606215.db2.gz VFZOYRLTQVVBCV-MLGOLLRUSA-N 0 1 316.405 3.872 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCSc1ccccc1)CC2 ZINC000446737166 1018238331 /nfs/dbraw/zinc/23/83/31/1018238331.db2.gz UBPLGZUVANJRCZ-UHFFFAOYSA-N 0 1 314.410 3.745 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCCSC(F)(F)F ZINC000218988280 1018345834 /nfs/dbraw/zinc/34/58/34/1018345834.db2.gz SHCQFMRRYSSNEN-UHFFFAOYSA-N 0 1 314.716 3.591 20 5 DHBDMN Cc1nn(CN2CC[C@@H](C)C3(CCCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000764956260 1018435956 /nfs/dbraw/zinc/43/59/56/1018435956.db2.gz SCRSHJZSYUQVGZ-CYBMUJFWSA-N 0 1 320.437 3.658 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000022844507 1018512509 /nfs/dbraw/zinc/51/25/09/1018512509.db2.gz CHLRPKQFQNAAKT-UHFFFAOYSA-N 0 1 316.317 3.670 20 5 DHBDMN CCc1onc(C)c1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922982540 1018957227 /nfs/dbraw/zinc/95/72/27/1018957227.db2.gz DYCOVRNLIJMTNY-XYOKQWHBSA-N 0 1 315.373 3.647 20 5 DHBDMN CC(C)c1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000278684144 1019035739 /nfs/dbraw/zinc/03/57/39/1019035739.db2.gz MFNBMKCZTMRRRC-UHFFFAOYSA-N 0 1 324.384 3.884 20 5 DHBDMN CC(C)Oc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000065668063 1019400148 /nfs/dbraw/zinc/40/01/48/1019400148.db2.gz CGCHQJNNHAELKK-UHFFFAOYSA-N 0 1 300.358 3.672 20 5 DHBDMN O=[N+]([O-])c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000611370651 1019456994 /nfs/dbraw/zinc/45/69/94/1019456994.db2.gz CYXHMRMLQJSTMV-UHFFFAOYSA-N 0 1 302.721 3.737 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3sccc32)c(F)c1 ZINC000314691969 1019745396 /nfs/dbraw/zinc/74/53/96/1019745396.db2.gz BLTIELJCZPQEFJ-CQSZACIVSA-N 0 1 306.362 3.963 20 5 DHBDMN COc1ccc(CNCc2ccc(Cl)s2)cc1[N+](=O)[O-] ZINC000070215290 1020043480 /nfs/dbraw/zinc/04/34/80/1020043480.db2.gz IRIIVMWPOZRFMQ-UHFFFAOYSA-N 0 1 312.778 3.608 20 5 DHBDMN Cc1nn(C(C)C)cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537549 1020118580 /nfs/dbraw/zinc/11/85/80/1020118580.db2.gz IBUOMYZXWGVTLB-GFCCVEGCSA-N 0 1 302.378 3.531 20 5 DHBDMN Nc1ccc2cc3ccc(Nc4ccc(CO)nc4)cc3nc2c1 ZINC001212382284 1020187392 /nfs/dbraw/zinc/18/73/92/1020187392.db2.gz LHXUFWDQQGOGPG-UHFFFAOYSA-N 0 1 316.364 3.601 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccsc2)cc1[N+](=O)[O-] ZINC000179400141 1020338059 /nfs/dbraw/zinc/33/80/59/1020338059.db2.gz KEBPPMNNAFPSDP-NSHDSACASA-N 0 1 306.387 3.906 20 5 DHBDMN Cc1cc(NC[C@@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302154216 1020416514 /nfs/dbraw/zinc/41/65/14/1020416514.db2.gz ILDQXJRMRZHOOL-GOSISDBHSA-N 0 1 323.352 3.597 20 5 DHBDMN O=[N+]([O-])c1cccc([C@@H](NCC2=CCCOC2)c2ccccc2)c1 ZINC000554358967 1020545580 /nfs/dbraw/zinc/54/55/80/1020545580.db2.gz LNKGXOFRUVMRCS-IBGZPJMESA-N 0 1 324.380 3.621 20 5 DHBDMN CCCCCCN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000735791069 1020768409 /nfs/dbraw/zinc/76/84/09/1020768409.db2.gz JESNQEMMDVMPBT-UHFFFAOYSA-N 0 1 318.377 3.657 20 5 DHBDMN CCN(Cc1ccc(C)cc1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000581002594 1020869173 /nfs/dbraw/zinc/86/91/73/1020869173.db2.gz GWSBYVDYIPSKCE-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(Cc1cccc2c[nH]nc21)C1CC1 ZINC000154307765 1021206153 /nfs/dbraw/zinc/20/61/53/1021206153.db2.gz WWLQRDFBOAELSI-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN COc1c(O)ccc(CN[C@H](C)c2ccc(C)s2)c1[N+](=O)[O-] ZINC000892669225 1021255079 /nfs/dbraw/zinc/25/50/79/1021255079.db2.gz QBNDODXTKBNZDL-SNVBAGLBSA-N 0 1 322.386 3.530 20 5 DHBDMN COc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000007661730 1021480548 /nfs/dbraw/zinc/48/05/48/1021480548.db2.gz LCSRIWFIPBMUMR-UHFFFAOYSA-N 0 1 312.369 3.768 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN(Cc1cccnc1)C1CC1 ZINC000290383983 1021955407 /nfs/dbraw/zinc/95/54/07/1021955407.db2.gz IHFFDSYQIAAMEJ-QPJJXVBHSA-N 0 1 309.369 3.668 20 5 DHBDMN C[C@@H](NCC[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)s1 ZINC001169065008 1022239857 /nfs/dbraw/zinc/23/98/57/1022239857.db2.gz GCXMCOCBGGFACL-SNVBAGLBSA-N 0 1 310.806 3.996 20 5 DHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416294617 1022240481 /nfs/dbraw/zinc/24/04/81/1022240481.db2.gz SAWXAXSXIUQYIV-CABCVRRESA-N 0 1 320.389 3.587 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(C(C)C)no1 ZINC000615724091 1022545884 /nfs/dbraw/zinc/54/58/84/1022545884.db2.gz LRJRQIZNQJVKPW-QPEQYQDCSA-N 0 1 315.373 3.899 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(O)c1)CCCC2 ZINC000417306846 1022676626 /nfs/dbraw/zinc/67/66/26/1022676626.db2.gz AYHLPXBEWGQPPN-SFHVURJKSA-N 0 1 312.369 3.858 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1C ZINC000788482204 1023891247 /nfs/dbraw/zinc/89/12/47/1023891247.db2.gz KADIFCYUXZIPGZ-UHFFFAOYSA-N 0 1 318.348 3.683 20 5 DHBDMN C[C@H](NCc1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788760393 1023929849 /nfs/dbraw/zinc/92/98/49/1023929849.db2.gz ANFPCJVXASTSJA-VIFPVBQESA-N 0 1 323.755 3.820 20 5 DHBDMN COc1cc(CN[C@H](C)c2cccc(C)c2)c([N+](=O)[O-])cc1F ZINC000452088394 1023971026 /nfs/dbraw/zinc/97/10/26/1023971026.db2.gz OUWLCEULPXBAIA-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CC[C@H](C)c1noc(-c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)n1 ZINC000453064222 1024313960 /nfs/dbraw/zinc/31/39/60/1024313960.db2.gz OQZWLGWONGYWFN-VIFPVBQESA-N 0 1 313.317 3.548 20 5 DHBDMN Cc1c(CN[C@@H](C)c2ccnc(Cl)c2)cccc1[N+](=O)[O-] ZINC000790695319 1024357705 /nfs/dbraw/zinc/35/77/05/1024357705.db2.gz NHPBMPOXRWVGFE-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1cc(C)c(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000453372051 1024493504 /nfs/dbraw/zinc/49/35/04/1024493504.db2.gz RYUKKXDTLVMJBS-GOSISDBHSA-N 0 1 311.385 3.774 20 5 DHBDMN CO[C@@H](c1ccc(F)cc1)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000271568236 1024540348 /nfs/dbraw/zinc/54/03/48/1024540348.db2.gz WTEDTKPQYZVVDM-MEBBXXQBSA-N 0 1 324.377 3.661 20 5 DHBDMN COc1cccc(C2(NCc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000271685252 1024562022 /nfs/dbraw/zinc/56/20/22/1024562022.db2.gz HKAUPQSPUBPLJQ-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000585767821 1024605046 /nfs/dbraw/zinc/60/50/46/1024605046.db2.gz FRDSEQOZGWYUAU-UHFFFAOYSA-N 0 1 300.358 3.668 20 5 DHBDMN COC1(CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000792157348 1024636664 /nfs/dbraw/zinc/63/66/64/1024636664.db2.gz UVGCVCUEGCWRGZ-UHFFFAOYSA-N 0 1 312.797 3.639 20 5 DHBDMN Cc1nc2c(s1)[C@H](N(C)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111310755 1024752353 /nfs/dbraw/zinc/75/23/53/1024752353.db2.gz GZNWEQZSGXLGFD-OAHLLOKOSA-N 0 1 317.414 3.869 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](c1cnn(C)c1)C(C)(C)C ZINC000350046022 1024784881 /nfs/dbraw/zinc/78/48/81/1024784881.db2.gz BUQIZUUUUVBPQV-MRXNPFEDSA-N 0 1 316.405 3.514 20 5 DHBDMN CC1(C)CCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000728900696 1024877874 /nfs/dbraw/zinc/87/78/74/1024877874.db2.gz QCCZGDKLFBNZLC-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN O=[N+]([O-])c1ccccc1NCc1nc2ccc(Cl)cc2[nH]1 ZINC000609496762 1024904374 /nfs/dbraw/zinc/90/43/74/1024904374.db2.gz QVGQTALFUBAQBM-UHFFFAOYSA-N 0 1 302.721 3.737 20 5 DHBDMN CCC[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000354109247 1025355841 /nfs/dbraw/zinc/35/58/41/1025355841.db2.gz JNLIZMZOPZYIOG-CYBMUJFWSA-N 0 1 322.405 3.624 20 5 DHBDMN CO[C@H](C)CN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C(C)C ZINC000354474037 1025441208 /nfs/dbraw/zinc/44/12/08/1025441208.db2.gz ZPZLVMOFNQYUGH-CQSZACIVSA-N 0 1 324.421 3.627 20 5 DHBDMN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000886020648 1025443949 /nfs/dbraw/zinc/44/39/49/1025443949.db2.gz FIIZWAPMVLHYGW-YOEHRIQHSA-N 0 1 311.385 3.615 20 5 DHBDMN CCN(Cc1cccnc1[N+](=O)[O-])[C@H](C)Cc1ccsc1 ZINC000886147384 1025531578 /nfs/dbraw/zinc/53/15/78/1025531578.db2.gz RIICUQCLRQTDNW-GFCCVEGCSA-N 0 1 305.403 3.504 20 5 DHBDMN CC(C)N(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000355575262 1025773056 /nfs/dbraw/zinc/77/30/56/1025773056.db2.gz OXTCODZVALQSMJ-UHFFFAOYSA-N 0 1 324.384 3.882 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCOCC2(CCCC2)C1 ZINC000614253543 1025999998 /nfs/dbraw/zinc/99/99/98/1025999998.db2.gz IPZPGZLSDGNJCR-FNORWQNLSA-N 0 1 316.401 3.501 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289652347 1026112832 /nfs/dbraw/zinc/11/28/32/1026112832.db2.gz TWFCIOPFHZVQDF-COXVUDFISA-N 0 1 316.401 3.689 20 5 DHBDMN CC[C@]1(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOC1 ZINC000809986605 1026656384 /nfs/dbraw/zinc/65/63/84/1026656384.db2.gz KMCABXPWHMLNBP-ZDUSSCGKSA-N 0 1 319.188 3.560 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1F ZINC000237195257 1026951635 /nfs/dbraw/zinc/95/16/35/1026951635.db2.gz HVQSQRVQPUMHPK-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000571997564 1027165194 /nfs/dbraw/zinc/16/51/94/1027165194.db2.gz UCEPVIXBMAEPDA-DOMZBBRYSA-N 0 1 324.808 3.639 20 5 DHBDMN CCCCOC1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000362456075 1027220015 /nfs/dbraw/zinc/22/00/15/1027220015.db2.gz UPUXMJWENKOFKJ-CQSZACIVSA-N 0 1 306.406 3.937 20 5 DHBDMN O=C(O[C@H](c1ccccc1)C1CCCCC1)[C@@H]1CC1[N+](=O)[O-] ZINC001269394836 1027310147 /nfs/dbraw/zinc/31/01/47/1027310147.db2.gz UPNQKOKNRYRPJI-BZUAXINKSA-N 0 1 303.358 3.516 20 5 DHBDMN CC(C)(C)OC[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000932166903 1027395205 /nfs/dbraw/zinc/39/52/05/1027395205.db2.gz DHZKNKJECKNJRF-CYBMUJFWSA-N 0 1 310.369 3.513 20 5 DHBDMN CCC(=O)c1ccc(NCc2ccc3nc[nH]c3c2)c([N+](=O)[O-])c1 ZINC000600849274 1027862957 /nfs/dbraw/zinc/86/29/57/1027862957.db2.gz BLRMDUJENJSLAA-UHFFFAOYSA-N 0 1 324.340 3.676 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCCC34CCC4)co2)cc1 ZINC000365631720 1027985960 /nfs/dbraw/zinc/98/59/60/1027985960.db2.gz AIZFMHUNMVCNLX-UHFFFAOYSA-N 0 1 313.357 3.768 20 5 DHBDMN CC[C@@H](NCc1cncc(OC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000601109188 1027986103 /nfs/dbraw/zinc/98/61/03/1027986103.db2.gz RUBDWDQCXOIULJ-MRXNPFEDSA-N 0 1 315.373 3.548 20 5 DHBDMN O=c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]c2ccsc21 ZINC000048603483 1028164374 /nfs/dbraw/zinc/16/43/74/1028164374.db2.gz ORIZSSQBPCXYMG-UHFFFAOYSA-N 0 1 307.718 3.626 20 5 DHBDMN CCOCC(C)(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000815137605 1028396272 /nfs/dbraw/zinc/39/62/72/1028396272.db2.gz ZNWYXSILCLXRKN-UHFFFAOYSA-N 0 1 321.204 3.806 20 5 DHBDMN CS[C@@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000687927371 1028751595 /nfs/dbraw/zinc/75/15/95/1028751595.db2.gz WGAAMRLKFMISKX-CYBMUJFWSA-N 0 1 314.838 3.966 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](O)c2ccccc2C1 ZINC000374806655 1029463256 /nfs/dbraw/zinc/46/32/56/1029463256.db2.gz MUFCOEFAANMEKX-FZKQIMNGSA-N 0 1 312.369 3.595 20 5 DHBDMN Cc1cnc([C@H](C)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545910 1029909268 /nfs/dbraw/zinc/90/92/68/1029909268.db2.gz HVDKQKGEEXJSRT-DZGCQCFKSA-N 0 1 315.373 3.832 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccccc2)[C@H]2CCOC2)cs1 ZINC000357349145 1030008882 /nfs/dbraw/zinc/00/88/82/1030008882.db2.gz CFBHJBJUAQLGDI-HOCLYGCPSA-N 0 1 318.398 3.524 20 5 DHBDMN Cc1nc([C@H](C)Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000865804259 1030029970 /nfs/dbraw/zinc/02/99/70/1030029970.db2.gz VFVSXNDBBXUAAF-YFKPBYRVSA-N 0 1 316.148 3.501 20 5 DHBDMN CSc1cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000357876152 1030233884 /nfs/dbraw/zinc/23/38/84/1030233884.db2.gz WTUHHIIIROLIDD-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN Cc1ccc2nc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000557807935 1030302529 /nfs/dbraw/zinc/30/25/29/1030302529.db2.gz CMDSSVDATHYMDW-NSHDSACASA-N 0 1 324.340 3.522 20 5 DHBDMN CCc1ncc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000358296432 1030426367 /nfs/dbraw/zinc/42/63/67/1030426367.db2.gz JNMZUUUPCBPOAN-UHFFFAOYSA-N 0 1 305.403 3.639 20 5 DHBDMN COc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)ccc1Cl ZINC000825143516 1030734799 /nfs/dbraw/zinc/73/47/99/1030734799.db2.gz FQLILYLHWUFYDN-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN Cc1c([C@@H](C)N[C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000359219730 1030845799 /nfs/dbraw/zinc/84/57/99/1030845799.db2.gz BXSFDPALIRAWKK-NWDGAFQWSA-N 0 1 303.337 3.849 20 5 DHBDMN CC1(C)[C@@H]2CN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@@H]21 ZINC000559105821 1031127499 /nfs/dbraw/zinc/12/74/99/1031127499.db2.gz HOQQHIXOEILIMV-BETUJISGSA-N 0 1 314.307 3.701 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CCCOC3)C2)c(Cl)c1 ZINC000360028657 1031247170 /nfs/dbraw/zinc/24/71/70/1031247170.db2.gz WCXAGYTVEVWXKQ-MRXNPFEDSA-N 0 1 324.808 3.641 20 5 DHBDMN CCc1nc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872030187 1031414195 /nfs/dbraw/zinc/41/41/95/1031414195.db2.gz APSVKIVORXWBGX-JTQLQIEISA-N 0 1 323.393 3.646 20 5 DHBDMN CO[C@@](C)([C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080060 1031476262 /nfs/dbraw/zinc/47/62/62/1031476262.db2.gz SKIGOEITZGFNSC-MMPTUQATSA-N 0 1 310.369 3.588 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925309557 1031536054 /nfs/dbraw/zinc/53/60/54/1031536054.db2.gz HOLVTWHGVIGYCW-ZDUSSCGKSA-N 0 1 314.385 3.673 20 5 DHBDMN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293641656 1031553193 /nfs/dbraw/zinc/55/31/93/1031553193.db2.gz IBRDKEWXBGNSAI-UWVGGRQHSA-N 0 1 321.327 3.867 20 5 DHBDMN CC[C@@H](CSC)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000124327833 1031684651 /nfs/dbraw/zinc/68/46/51/1031684651.db2.gz WCCGJGJBUJUTGZ-NSHDSACASA-N 0 1 302.827 3.822 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1COCc2ccccc21 ZINC000873131985 1031720421 /nfs/dbraw/zinc/72/04/21/1031720421.db2.gz BRBBKAHLVCIBRB-KRWDZBQOSA-N 0 1 312.369 3.573 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846109766 1031859191 /nfs/dbraw/zinc/85/91/91/1031859191.db2.gz VNDUYDDLZYKSEL-OMVNSRBRSA-N 0 1 308.328 3.729 20 5 DHBDMN CC1(C)CCCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)C1 ZINC000777955719 1032036006 /nfs/dbraw/zinc/03/60/06/1032036006.db2.gz QZSQTWLBSCQSRI-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000152511863 1033529234 /nfs/dbraw/zinc/52/92/34/1033529234.db2.gz JSFSKTVCEGYSCB-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC23CCCC3)c1F ZINC001173183010 1033583693 /nfs/dbraw/zinc/58/36/93/1033583693.db2.gz VPSYYGLQDONURR-GFCCVEGCSA-N 0 1 322.380 3.692 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCC[C@@H]2C)c1F ZINC001173187080 1033584134 /nfs/dbraw/zinc/58/41/34/1033584134.db2.gz WMFSSOCOHGGEHH-NWDGAFQWSA-N 0 1 310.369 3.548 20 5 DHBDMN CCCC[C@H](C)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878632721 1033778715 /nfs/dbraw/zinc/77/87/15/1033778715.db2.gz MJNWWRLAPITFQN-LBPRGKRZSA-N 0 1 318.377 3.655 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H](C3CC3)C2)c1 ZINC000555417917 1034695218 /nfs/dbraw/zinc/69/52/18/1034695218.db2.gz VMLZDILGZXBVKP-NSHDSACASA-N 0 1 314.307 3.846 20 5 DHBDMN COc1ccc(Nc2cc(C)nc3ccccc32)cc1[N+](=O)[O-] ZINC001176359081 1035256112 /nfs/dbraw/zinc/25/61/12/1035256112.db2.gz BYWIMJSQYXDEJA-UHFFFAOYSA-N 0 1 309.325 3.626 20 5 DHBDMN O=C([O-])c1cc(Nc2cccc3cc[nH+]cc32)cc([N+](=O)[O-])c1 ZINC001176679444 1035313082 /nfs/dbraw/zinc/31/30/82/1035313082.db2.gz KFGDDWQNIHUVBU-UHFFFAOYSA-N 0 1 309.281 3.585 20 5 DHBDMN CCCCCC[C@@H](C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000914465961 1035892327 /nfs/dbraw/zinc/89/23/27/1035892327.db2.gz WLXGJTJFNPXNLR-LLVKDONJSA-N 0 1 318.377 3.560 20 5 DHBDMN Cc1ccsc1[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221628 1036018955 /nfs/dbraw/zinc/01/89/55/1036018955.db2.gz VDHRJWWGIQZTJR-JSGCOSHPSA-N 0 1 320.414 3.657 20 5 DHBDMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000540220540 1036019517 /nfs/dbraw/zinc/01/95/17/1036019517.db2.gz QDQNGCQZWZQZKA-GXTWGEPZSA-N 0 1 320.414 3.657 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001197719764 1036856090 /nfs/dbraw/zinc/85/60/90/1036856090.db2.gz LXDKBSSFOWBKSG-MAUKXSAKSA-N 0 1 312.344 3.507 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000774836963 1037055455 /nfs/dbraw/zinc/05/54/55/1037055455.db2.gz UTQWLKHECQQOGI-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000609234553 1037461650 /nfs/dbraw/zinc/46/16/50/1037461650.db2.gz UWFWGVCJHPHJSU-GOSISDBHSA-N 0 1 312.369 3.558 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cccc(Cl)c1C ZINC001201634785 1037799552 /nfs/dbraw/zinc/79/95/52/1037799552.db2.gz RYOOOGMAJYIYGL-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN COc1ccc(F)cc1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000494410576 1038089399 /nfs/dbraw/zinc/08/93/99/1038089399.db2.gz GIAWJHJERJXIMJ-XQRVVYSFSA-N 0 1 316.332 3.546 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H](C)c2ccccc21 ZINC000588953984 1038416269 /nfs/dbraw/zinc/41/62/69/1038416269.db2.gz RTFKIXLBVATVAY-YVEFUNNKSA-N 0 1 312.369 3.942 20 5 DHBDMN C[C@H](c1ccccc1F)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000603855201 1039188498 /nfs/dbraw/zinc/18/84/98/1039188498.db2.gz OEBFTXZKDVEMIK-CYBMUJFWSA-N 0 1 318.348 3.806 20 5 DHBDMN CCOc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505438 1039804116 /nfs/dbraw/zinc/80/41/16/1039804116.db2.gz VBHVOPZPJFECSC-INIZCTEOSA-N 0 1 312.369 3.771 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CCc2ccccc21 ZINC000595003276 1040013659 /nfs/dbraw/zinc/01/36/59/1040013659.db2.gz FWBQUVMNVGIPGS-YVEFUNNKSA-N 0 1 312.369 3.942 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(C)cc1 ZINC000595007653 1040017934 /nfs/dbraw/zinc/01/79/34/1040017934.db2.gz POENBLGJCHPQLS-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cscc1C ZINC000595047113 1040049236 /nfs/dbraw/zinc/04/92/36/1040049236.db2.gz RGTQRFHGJUBJPV-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595101946 1040067131 /nfs/dbraw/zinc/06/71/31/1040067131.db2.gz GOKISGJXBVJSFT-PMUMKWKESA-N 0 1 314.385 3.676 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](c1ccccc1)[C@@H](C)O ZINC000595104718 1040068075 /nfs/dbraw/zinc/06/80/75/1040068075.db2.gz SJCCDVDWJGEIBG-PMUMKWKESA-N 0 1 314.385 3.676 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCc2ccc(O)cc21 ZINC000595084412 1040074961 /nfs/dbraw/zinc/07/49/61/1040074961.db2.gz FOTYKXAFXLLELM-IAGOWNOFSA-N 0 1 310.353 3.565 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000595089893 1040076065 /nfs/dbraw/zinc/07/60/65/1040076065.db2.gz QDQUXGBUWZWIJU-XIKOKIGWSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1noc(CN2CCC[C@@H]2CCC2CCCC2)c1[N+](=O)[O-] ZINC000595352814 1040125158 /nfs/dbraw/zinc/12/51/58/1040125158.db2.gz OLJDIXLKNRHEOB-CQSZACIVSA-N 0 1 307.394 3.826 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000595500710 1040156289 /nfs/dbraw/zinc/15/62/89/1040156289.db2.gz KGKNTAHHXWCDNL-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1sccc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000063258393 1040163710 /nfs/dbraw/zinc/16/37/10/1040163710.db2.gz JMLHXTYHTBZEFX-AWEZNQCLSA-N 0 1 317.414 3.733 20 5 DHBDMN CCC(C)(C)[C@@H](C)NCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000595638870 1040198380 /nfs/dbraw/zinc/19/83/80/1040198380.db2.gz MYLSILLXCXTHNE-LLVKDONJSA-N 0 1 318.377 3.559 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000595701811 1040223953 /nfs/dbraw/zinc/22/39/53/1040223953.db2.gz FXONHDHRJKYXQU-KRWDZBQOSA-N 0 1 300.333 3.723 20 5 DHBDMN CC(C)CC1(NCc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000595831722 1040264989 /nfs/dbraw/zinc/26/49/89/1040264989.db2.gz QRPMBZXDOKYQGA-UHFFFAOYSA-N 0 1 315.373 3.918 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(c2ccon2)CC1 ZINC000595827562 1040266273 /nfs/dbraw/zinc/26/62/73/1040266273.db2.gz DIHVRMOQRGIQLL-LBPRGKRZSA-N 0 1 301.346 3.523 20 5 DHBDMN CCc1nc(CSCc2cc(O)ccc2[N+](=O)[O-])cs1 ZINC000593187575 1040475890 /nfs/dbraw/zinc/47/58/90/1040475890.db2.gz OBKPRMFPIIPPAS-UHFFFAOYSA-N 0 1 310.400 3.753 20 5 DHBDMN Cc1cc(N2CC[C@]3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593522858 1041145772 /nfs/dbraw/zinc/14/57/72/1041145772.db2.gz VEQXINKRQWDANY-HNNXBMFYSA-N 0 1 319.311 3.687 20 5 DHBDMN Cc1ccccc1[C@@H](NCc1cn(C)nc1[N+](=O)[O-])C(C)(C)C ZINC000602807481 1041232729 /nfs/dbraw/zinc/23/27/29/1041232729.db2.gz UYHFJMAKKKZSOV-OAHLLOKOSA-N 0 1 316.405 3.514 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217366 185286993 /nfs/dbraw/zinc/28/69/93/185286993.db2.gz JEAZJYNQSFRPIF-RYUDHWBXSA-N 0 1 303.337 3.849 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CSCCc3ccccc32)cc1 ZINC000089513458 192806590 /nfs/dbraw/zinc/80/65/90/192806590.db2.gz HUPDVAONVWKEAQ-QGZVFWFLSA-N 0 1 314.410 3.715 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCCC3(CCOCC3)C2)c(Cl)c1 ZINC000272835461 130067856 /nfs/dbraw/zinc/06/78/56/130067856.db2.gz RSRCHEWXFKMHNC-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CCC[C@@H](N[C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163895068 132125900 /nfs/dbraw/zinc/12/59/00/132125900.db2.gz OXIRFKVUYYGCJG-MLGOLLRUSA-N 0 1 302.378 3.520 20 5 DHBDMN CC[C@H](NCc1ccccc1OC)c1cccc([N+](=O)[O-])c1 ZINC000090224560 331822603 /nfs/dbraw/zinc/82/26/03/331822603.db2.gz RYGWFWDXMLKMTB-INIZCTEOSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1cc(NCc2cccc(O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181464130 333030517 /nfs/dbraw/zinc/03/05/17/333030517.db2.gz SWPCAQWCJZMDRX-UHFFFAOYSA-N 0 1 309.325 3.769 20 5 DHBDMN CCC[C@@H](N[C@H](C)c1cn(C)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000178719507 333142968 /nfs/dbraw/zinc/14/29/68/333142968.db2.gz QTDLWKBVXLFSRB-SJKOYZFVSA-N 0 1 316.405 3.829 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000124900967 333502926 /nfs/dbraw/zinc/50/29/26/333502926.db2.gz HBVMFBPMLXTYHH-NSHDSACASA-N 0 1 304.346 3.664 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414539259 334012980 /nfs/dbraw/zinc/01/29/80/334012980.db2.gz MXDAWEBUQGBBNT-QGZVFWFLSA-N 0 1 318.417 3.540 20 5 DHBDMN CO[C@@H](c1ccccc1F)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000345690026 335342083 /nfs/dbraw/zinc/34/20/83/335342083.db2.gz GJGJPJMWSYFEQB-MEBBXXQBSA-N 0 1 324.377 3.661 20 5 DHBDMN COc1cc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631180 335512155 /nfs/dbraw/zinc/51/21/55/335512155.db2.gz BERUDVSMNGUNOT-OLZOCXBDSA-N 0 1 315.373 3.719 20 5 DHBDMN CC[C@H]1c2ccsc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000351920686 336178465 /nfs/dbraw/zinc/17/84/65/336178465.db2.gz FCKIZTJMERJMOA-AWEZNQCLSA-N 0 1 318.398 3.871 20 5 DHBDMN COc1cc(CN(Cc2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000351982583 336185685 /nfs/dbraw/zinc/18/56/85/336185685.db2.gz DXALIVNONZBVTH-UHFFFAOYSA-N 0 1 312.369 3.768 20 5 DHBDMN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000301082453 336289046 /nfs/dbraw/zinc/28/90/46/336289046.db2.gz OMGKNLZYCRZIBV-UHFFFAOYSA-N 0 1 316.317 3.670 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NCc2ccc(F)c(CN(C)C)c2)c1 ZINC000301573639 336315922 /nfs/dbraw/zinc/31/59/22/336315922.db2.gz PPHMKAWOIYZIPH-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN Cc1cc(N2CCS[C@H](C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302739751 336367323 /nfs/dbraw/zinc/36/73/23/336367323.db2.gz QEBUCEKFTXVNOJ-GFCCVEGCSA-N 0 1 317.414 3.783 20 5 DHBDMN CC(C)Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000122198962 336996688 /nfs/dbraw/zinc/99/66/88/336996688.db2.gz JAZXFWSGKKSTIU-UHFFFAOYSA-N 0 1 306.343 3.941 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC(OCC3CCCC3)CC2)cc1 ZINC000177494160 337156291 /nfs/dbraw/zinc/15/62/91/337156291.db2.gz JGRKOYXISLEHAV-UHFFFAOYSA-N 0 1 318.417 3.766 20 5 DHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000428452090 338052424 /nfs/dbraw/zinc/05/24/24/338052424.db2.gz JDEOBPAFFYHDKW-GXFFZTMASA-N 0 1 312.316 3.571 20 5 DHBDMN COc1cc(CN(C)Cc2cc(C)ccc2C)ccc1[N+](=O)[O-] ZINC000429304487 338077265 /nfs/dbraw/zinc/07/72/65/338077265.db2.gz YLZOPQDNIBXLPH-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN CCC(CC)N(CC(C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432185077 338148179 /nfs/dbraw/zinc/14/81/79/338148179.db2.gz GVSTWPCQRGHPTA-UHFFFAOYSA-N 0 1 308.378 3.587 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)C[C@H]1C ZINC000432797272 338168301 /nfs/dbraw/zinc/16/83/01/338168301.db2.gz LCCGUARSYADVLA-CYBMUJFWSA-N 0 1 304.390 3.758 20 5 DHBDMN Cc1ncsc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433163367 338183613 /nfs/dbraw/zinc/18/36/13/338183613.db2.gz BDFFBNUAJIHAFM-AWEZNQCLSA-N 0 1 317.414 3.872 20 5 DHBDMN Cc1nc([C@@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119670 338594995 /nfs/dbraw/zinc/59/49/95/338594995.db2.gz AMFRPCXSCUDDCV-GHMZBOCLSA-N 0 1 305.403 3.642 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccc(C2CC2)cc1 ZINC000459407391 339027344 /nfs/dbraw/zinc/02/73/44/339027344.db2.gz MASMHVYDELOJLD-UHFFFAOYSA-N 0 1 312.369 3.771 20 5 DHBDMN COc1cc(CN2CCC[C@H]2C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000464104192 339134561 /nfs/dbraw/zinc/13/45/61/339134561.db2.gz KOWTZWJYLFVMJO-HNNXBMFYSA-N 0 1 310.369 3.753 20 5 DHBDMN CCC1(CC)CN(Cc2ccc(OC)c([N+](=O)[O-])c2)CCS1 ZINC000464577063 339146008 /nfs/dbraw/zinc/14/60/08/339146008.db2.gz RPKMKQNSDPVQAX-UHFFFAOYSA-N 0 1 324.446 3.711 20 5 DHBDMN Cc1c(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cccc1[N+](=O)[O-] ZINC000470956270 339332877 /nfs/dbraw/zinc/33/28/77/339332877.db2.gz BJKKQINTAZCMGG-ZYHUDNBSSA-N 0 1 302.296 3.676 20 5 DHBDMN CN(C)Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1Cl ZINC000475566318 339455560 /nfs/dbraw/zinc/45/55/60/339455560.db2.gz YXPXKGZXZQIUMZ-UHFFFAOYSA-N 0 1 319.792 3.922 20 5 DHBDMN Cc1c(CN[C@H](C)c2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000478498339 339516588 /nfs/dbraw/zinc/51/65/88/339516588.db2.gz FWSCWVNQDJCITP-CQSZACIVSA-N 0 1 313.401 3.820 20 5 DHBDMN CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000505636360 340173799 /nfs/dbraw/zinc/17/37/99/340173799.db2.gz QHMGAULMDNFCHT-VMPITWQZSA-N 0 1 300.333 3.879 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1N(C)C ZINC000506727331 340200121 /nfs/dbraw/zinc/20/01/21/340200121.db2.gz BBXGEYULVYPTES-CQSZACIVSA-N 0 1 313.401 3.854 20 5 DHBDMN C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000971 340205148 /nfs/dbraw/zinc/20/51/48/340205148.db2.gz GTVOXVNNVQAJCC-PBHICJAKSA-N 0 1 311.385 3.842 20 5 DHBDMN Cc1cccc(OCCNCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000237713534 340673367 /nfs/dbraw/zinc/67/33/67/340673367.db2.gz ZLOLDCCALORWHN-UHFFFAOYSA-N 0 1 320.776 3.725 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CSc2ccccc21 ZINC000542707208 341018469 /nfs/dbraw/zinc/01/84/69/341018469.db2.gz VMAOQXGARRYELL-HNNXBMFYSA-N 0 1 300.383 3.840 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384176 341020444 /nfs/dbraw/zinc/02/04/44/341020444.db2.gz BNSUQRPYQORUMC-MLGOLLRUSA-N 0 1 312.369 3.947 20 5 DHBDMN CCc1ccc([C@H](NCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409143 341042760 /nfs/dbraw/zinc/04/27/60/341042760.db2.gz IECNPYDAVJUIBQ-QGZVFWFLSA-N 0 1 300.358 3.839 20 5 DHBDMN Cc1cccc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c1[N+](=O)[O-] ZINC000549184923 341288361 /nfs/dbraw/zinc/28/83/61/341288361.db2.gz QHYVMAYKVZECFY-UHFFFAOYSA-N 0 1 302.378 3.560 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[C@@H]2F)o1 ZINC000555643602 341487943 /nfs/dbraw/zinc/48/79/43/341487943.db2.gz WCYRBPLHXKVIHG-UONOGXRCSA-N 0 1 304.321 3.835 20 5 DHBDMN COc1cc(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000156877643 522359306 /nfs/dbraw/zinc/35/93/06/522359306.db2.gz BJYAEJBTQMADEJ-GFCCVEGCSA-N 0 1 316.357 3.502 20 5 DHBDMN COCC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452026 536808437 /nfs/dbraw/zinc/80/84/37/536808437.db2.gz MQGYFQGHUXFQEP-SWLSCSKDSA-N 0 1 304.346 3.616 20 5 DHBDMN COc1ccc(C2(N[C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)cc1 ZINC000517757188 1013060756 /nfs/dbraw/zinc/06/07/56/1013060756.db2.gz OJAUYLWNWZEIRT-QGZVFWFLSA-N 0 1 324.380 3.870 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000518895917 1013241717 /nfs/dbraw/zinc/24/17/17/1013241717.db2.gz FEIXNTIAWKXBPY-LBPRGKRZSA-N 0 1 316.405 3.808 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638186 1013835402 /nfs/dbraw/zinc/83/54/02/1013835402.db2.gz DZVCXPWDRGHDIC-BLLLJJGKSA-N 0 1 315.373 3.800 20 5 DHBDMN Nc1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC001210400751 1013835104 /nfs/dbraw/zinc/83/51/04/1013835104.db2.gz LHRXSYPJIISUOT-UHFFFAOYSA-N 0 1 313.235 3.645 20 5 DHBDMN CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000593738972 974984962 /nfs/dbraw/zinc/98/49/62/974984962.db2.gz RJRATKQADZQOQY-KRWDZBQOSA-N 0 1 320.389 3.695 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC(C)(C)OC(C)(C)C1 ZINC000442879367 1014759373 /nfs/dbraw/zinc/75/93/73/1014759373.db2.gz JBTCJLONGHNAFC-ZDUSSCGKSA-N 0 1 306.406 3.854 20 5 DHBDMN COc1ccc(CN(C)Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000051212248 1015304107 /nfs/dbraw/zinc/30/41/07/1015304107.db2.gz DOJKUMJZRCABGX-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN Cc1nn(C(C)C)c(C)c1CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000895833314 1015325852 /nfs/dbraw/zinc/32/58/52/1015325852.db2.gz MQRXGPOTYVLNKB-UHFFFAOYSA-N 0 1 316.405 3.587 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000474432023 1015356924 /nfs/dbraw/zinc/35/69/24/1015356924.db2.gz KSAFMGDKQJKACI-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(C[C@H](O)C1CCCCC1)C1CC1 ZINC000474969259 1015733938 /nfs/dbraw/zinc/73/39/38/1015733938.db2.gz BKHWICXEQBRWEC-SFHVURJKSA-N 0 1 318.417 3.500 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000276919234 1015746861 /nfs/dbraw/zinc/74/68/61/1015746861.db2.gz OWUHDTFZFBJLET-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2ccc3[nH]cnc3c2)C2CC2)c1 ZINC000535785933 1015823998 /nfs/dbraw/zinc/82/39/98/1015823998.db2.gz YYWYSMWGYYOASU-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC(F)(F)C2)o1 ZINC000277374207 1016252202 /nfs/dbraw/zinc/25/22/02/1016252202.db2.gz BXNFDVRFYHOUGY-UHFFFAOYSA-N 0 1 308.284 3.742 20 5 DHBDMN CCOc1cc(C[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000492420190 1016356673 /nfs/dbraw/zinc/35/66/73/1016356673.db2.gz XQTQWRXANQKCNK-UHFFFAOYSA-N 0 1 318.348 3.765 20 5 DHBDMN CCOc1cc(CN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000492420190 1016356684 /nfs/dbraw/zinc/35/66/84/1016356684.db2.gz XQTQWRXANQKCNK-UHFFFAOYSA-N 0 1 318.348 3.765 20 5 DHBDMN COc1cc(CN2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000248632031 1016740805 /nfs/dbraw/zinc/74/08/05/1016740805.db2.gz RKPQQCPDRJNGHC-BXUZGUMPSA-N 0 1 308.353 3.507 20 5 DHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC1CCC1 ZINC000127775105 1016862915 /nfs/dbraw/zinc/86/29/15/1016862915.db2.gz UQGKGKAFKLKRCS-UHFFFAOYSA-N 0 1 317.414 3.950 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3cccnc32)cc1Cl ZINC000897074233 1017022835 /nfs/dbraw/zinc/02/28/35/1017022835.db2.gz AUSWQASTYKYAJI-AWEZNQCLSA-N 0 1 317.776 3.810 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@@H]1CCSc2ccccc21 ZINC000034996516 1011955803 /nfs/dbraw/zinc/95/58/03/1011955803.db2.gz FGDINAUNKZBULW-CQSZACIVSA-N 0 1 300.383 3.922 20 5 DHBDMN O=[N+]([O-])c1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000064029479 1012260259 /nfs/dbraw/zinc/26/02/59/1012260259.db2.gz WCRZVACMSXYQJK-AWEZNQCLSA-N 0 1 317.414 3.733 20 5 DHBDMN CC[C@H](C)[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651430 1017607778 /nfs/dbraw/zinc/60/77/78/1017607778.db2.gz VFZOYRLTQVVBCV-BLLLJJGKSA-N 0 1 316.405 3.872 20 5 DHBDMN COCc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000268767736 1017724195 /nfs/dbraw/zinc/72/41/95/1017724195.db2.gz JYIYPYNKXZNUIE-ZDUSSCGKSA-N 0 1 300.358 3.592 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 ZINC000446145861 1018071980 /nfs/dbraw/zinc/07/19/80/1018071980.db2.gz NHSMRZAJAQCYLX-UHFFFAOYSA-N 0 1 308.219 3.552 20 5 DHBDMN CC(=Cc1ccccc1)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833714 1018263884 /nfs/dbraw/zinc/26/38/84/1018263884.db2.gz DTULXQKZBIJEJR-UKTHLTGXSA-N 0 1 322.368 3.664 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](CCO)c1cccs1 ZINC000766136663 1018477255 /nfs/dbraw/zinc/47/72/55/1018477255.db2.gz QGQABDKFDZCXOH-IUODEOHRSA-N 0 1 320.414 3.739 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@H](c2cccnc2)C1 ZINC000584111192 1018962107 /nfs/dbraw/zinc/96/21/07/1018962107.db2.gz QDGZNRBFIAXHBT-CYBMUJFWSA-N 0 1 317.776 3.633 20 5 DHBDMN CC[C@@](C)(NC/C=C\c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000255069167 1019267729 /nfs/dbraw/zinc/26/77/29/1019267729.db2.gz JUKIUEDSRYFKFX-QKIRZYONSA-N 0 1 317.414 3.980 20 5 DHBDMN Cc1c(CN2CC(Cc3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC000611172948 1019408611 /nfs/dbraw/zinc/40/86/11/1019408611.db2.gz OWMUHFOHTBMMCM-UHFFFAOYSA-N 0 1 314.360 3.717 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000611268105 1019428594 /nfs/dbraw/zinc/42/85/94/1019428594.db2.gz LQGCKBMXWMBEJP-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN Cc1cccc(NC[C@H](c2ccsc2)N(C)C)c1[N+](=O)[O-] ZINC000338646168 1019448472 /nfs/dbraw/zinc/44/84/72/1019448472.db2.gz YQGXYZMUKDNSPH-CQSZACIVSA-N 0 1 305.403 3.680 20 5 DHBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000091974792 1019496663 /nfs/dbraw/zinc/49/66/63/1019496663.db2.gz DIOBXPUHYXRZAI-LBPRGKRZSA-N 0 1 316.357 3.589 20 5 DHBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000091974792 1019496666 /nfs/dbraw/zinc/49/66/66/1019496666.db2.gz DIOBXPUHYXRZAI-LBPRGKRZSA-N 0 1 316.357 3.589 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000198780470 1019709516 /nfs/dbraw/zinc/70/95/16/1019709516.db2.gz AAKXXFVQNJXNTI-UHFFFAOYSA-N 0 1 318.130 3.901 20 5 DHBDMN CCc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)cn1 ZINC000347602168 1019762066 /nfs/dbraw/zinc/76/20/66/1019762066.db2.gz CEXQCCVOYQNZCU-UHFFFAOYSA-N 0 1 313.401 3.963 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cc(C)ccc21 ZINC000765767597 1019782155 /nfs/dbraw/zinc/78/21/55/1019782155.db2.gz LHKFZFWUKKUAOG-QGZVFWFLSA-N 0 1 312.369 3.689 20 5 DHBDMN Cc1csc([C@@H](C)NC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000727837084 1019816454 /nfs/dbraw/zinc/81/64/54/1019816454.db2.gz IIYPLCOSLPSCBU-SMYYYNMVSA-N 0 1 303.387 3.724 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000603859213 1020204818 /nfs/dbraw/zinc/20/48/18/1020204818.db2.gz TTZYNCNMSOSXQD-UHFFFAOYSA-N 0 1 300.333 3.899 20 5 DHBDMN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000091974793 1020429621 /nfs/dbraw/zinc/42/96/21/1020429621.db2.gz DIOBXPUHYXRZAI-GFCCVEGCSA-N 0 1 316.357 3.589 20 5 DHBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000091974793 1020429624 /nfs/dbraw/zinc/42/96/24/1020429624.db2.gz DIOBXPUHYXRZAI-GFCCVEGCSA-N 0 1 316.357 3.589 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000298706269 1020457402 /nfs/dbraw/zinc/45/74/02/1020457402.db2.gz RKUAKSHHHXEWCO-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN CC[C@@H](C)N(CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC001171917545 1032920300 /nfs/dbraw/zinc/92/03/00/1032920300.db2.gz ZIMFDBLSFOZJEY-SNVBAGLBSA-N 0 1 315.211 3.978 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000537945287 1032956511 /nfs/dbraw/zinc/95/65/11/1032956511.db2.gz HQXHSFKDZGPTIE-RYUDHWBXSA-N 0 1 317.393 3.557 20 5 DHBDMN C[C@@H](O)c1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892671842 1021267901 /nfs/dbraw/zinc/26/79/01/1021267901.db2.gz DUIUCXWOOBAJLI-LLVKDONJSA-N 0 1 320.776 3.591 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCCSc2ccccc21 ZINC000338910292 1021272165 /nfs/dbraw/zinc/27/21/65/1021272165.db2.gz PIZHLEBUHKKLFX-UHFFFAOYSA-N 0 1 316.382 3.803 20 5 DHBDMN CCC[C@@]1(C)CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000743404196 1021284673 /nfs/dbraw/zinc/28/46/73/1021284673.db2.gz MLSNGQQZZCSZPM-KRWDZBQOSA-N 0 1 316.405 3.804 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(C)c(F)c1 ZINC000850422689 1021524246 /nfs/dbraw/zinc/52/42/46/1021524246.db2.gz ZXCDAHXUHXHLLL-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CC[C@@H]1C[C@@H](C)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442059 1021546277 /nfs/dbraw/zinc/54/62/77/1021546277.db2.gz WBZHVTXCGMOFEK-GHMZBOCLSA-N 0 1 321.402 3.950 20 5 DHBDMN CC[C@H](N[C@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529114 1021581775 /nfs/dbraw/zinc/58/17/75/1021581775.db2.gz NMQLSYQIQKYRRU-OKZBNKHCSA-N 0 1 312.369 3.814 20 5 DHBDMN CC(C)CCn1cccc1CNCc1ccccc1[N+](=O)[O-] ZINC000236640645 1021609922 /nfs/dbraw/zinc/60/99/22/1021609922.db2.gz PPMRKBIIYDKIBS-UHFFFAOYSA-N 0 1 301.390 3.732 20 5 DHBDMN CC[C@H](CSC)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541119764 1021664811 /nfs/dbraw/zinc/66/48/11/1021664811.db2.gz GVUARSCNRJHOOM-LLVKDONJSA-N 0 1 302.827 3.822 20 5 DHBDMN Cc1noc(CN2CCC[C@@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000851749459 1021991484 /nfs/dbraw/zinc/99/14/84/1021991484.db2.gz ZFMSYSHKYXQXNF-OAHLLOKOSA-N 0 1 315.373 3.661 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](Cc3cccc(F)n3)C2)cc1 ZINC000852135285 1022077630 /nfs/dbraw/zinc/07/76/30/1022077630.db2.gz MLYPTVDCGGOQOT-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cccc(F)n3)C2)cc1 ZINC000852135285 1022077646 /nfs/dbraw/zinc/07/76/46/1022077646.db2.gz MLYPTVDCGGOQOT-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1cccc(O)c1 ZINC000183338243 1022102592 /nfs/dbraw/zinc/10/25/92/1022102592.db2.gz JNHBDGLUJFVMBX-ZDUSSCGKSA-N 0 1 300.358 3.802 20 5 DHBDMN CC(C)CCN(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000921050971 1022210313 /nfs/dbraw/zinc/21/03/13/1022210313.db2.gz ZVZFOPMSXAIKEY-UHFFFAOYSA-N 0 1 309.391 3.807 20 5 DHBDMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038912 1022221962 /nfs/dbraw/zinc/22/19/62/1022221962.db2.gz LGCIPCDGLCNJGR-WCXIOVBPSA-N 0 1 312.454 3.695 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2ccco2)C1 ZINC000609705137 1022336907 /nfs/dbraw/zinc/33/69/07/1022336907.db2.gz SZUQTMUUNFZTJQ-LBPRGKRZSA-N 0 1 306.749 3.831 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](CC(F)(F)F)C1 ZINC000278826259 1022388496 /nfs/dbraw/zinc/38/84/96/1022388496.db2.gz QBENAVOSWZJHQO-GHMZBOCLSA-N 0 1 302.296 3.930 20 5 DHBDMN CC[C@@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769009412 1023079118 /nfs/dbraw/zinc/07/91/18/1023079118.db2.gz QWZWTVNFSCOQAN-SNVBAGLBSA-N 0 1 313.195 3.732 20 5 DHBDMN C[C@H]1C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769471231 1023160959 /nfs/dbraw/zinc/16/09/59/1023160959.db2.gz RNMAZLFRYQOEAJ-UWVGGRQHSA-N 0 1 313.195 3.588 20 5 DHBDMN Cc1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000014878148 1023238601 /nfs/dbraw/zinc/23/86/01/1023238601.db2.gz FVGJCPCZVGDAQW-UHFFFAOYSA-N 0 1 322.324 3.546 20 5 DHBDMN CCCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173401938 1033120575 /nfs/dbraw/zinc/12/05/75/1033120575.db2.gz RAHLBRWESSPTLX-ZDUSSCGKSA-N 0 1 315.373 3.629 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000045287726 1023566119 /nfs/dbraw/zinc/56/61/19/1023566119.db2.gz KDYAXCNWVJJYDW-OAHLLOKOSA-N 0 1 319.336 3.576 20 5 DHBDMN CN(CCC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000746636337 1023759828 /nfs/dbraw/zinc/75/98/28/1023759828.db2.gz DCZZTGWABJJROE-UHFFFAOYSA-N 0 1 307.375 3.561 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCc3c1cccc3O)CCC2 ZINC000278849882 1023778624 /nfs/dbraw/zinc/77/86/24/1023778624.db2.gz VOEHEUNAQNIKHV-QZTJIDSGSA-N 0 1 324.380 3.955 20 5 DHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@H](CC(C)(C)C)c1ccccc1 ZINC000341601731 1023779226 /nfs/dbraw/zinc/77/92/26/1023779226.db2.gz WVIMBGUXHAPANC-CQSZACIVSA-N 0 1 316.405 3.595 20 5 DHBDMN CCOc1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000788467844 1023889474 /nfs/dbraw/zinc/88/94/74/1023889474.db2.gz ALQPCVWHVLMUDB-UHFFFAOYSA-N 0 1 318.348 3.765 20 5 DHBDMN CCSc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000883237060 1024311286 /nfs/dbraw/zinc/31/12/86/1024311286.db2.gz QPFXHXAFQKSMNB-UHFFFAOYSA-N 0 1 302.399 3.997 20 5 DHBDMN C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000105461635 1024383662 /nfs/dbraw/zinc/38/36/62/1024383662.db2.gz OWIRGOMPDZPUQU-JTQLQIEISA-N 0 1 306.749 3.805 20 5 DHBDMN CCC[C@@H](C)N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270651428 1024414490 /nfs/dbraw/zinc/41/44/90/1024414490.db2.gz UDKLJVIHNZMUQH-GFCCVEGCSA-N 0 1 303.362 3.870 20 5 DHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(C)no1 ZINC000271173790 1024466351 /nfs/dbraw/zinc/46/63/51/1024466351.db2.gz USTZTGYIHGVRMB-LBPRGKRZSA-N 0 1 321.402 3.552 20 5 DHBDMN CCCCN(C)Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000877900982 1033503159 /nfs/dbraw/zinc/50/31/59/1033503159.db2.gz PEKXZXLIOUSYFI-UHFFFAOYSA-N 0 1 324.768 3.530 20 5 DHBDMN CC[C@@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000271473147 1024516012 /nfs/dbraw/zinc/51/60/12/1024516012.db2.gz IPCXVTUCFDDMBB-BXUZGUMPSA-N 0 1 317.393 3.638 20 5 DHBDMN CC[C@H](N[C@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638200 1024598802 /nfs/dbraw/zinc/59/88/02/1024598802.db2.gz DZVCXPWDRGHDIC-WBMJQRKESA-N 0 1 315.373 3.800 20 5 DHBDMN CCn1cc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044010 1024670549 /nfs/dbraw/zinc/67/05/49/1024670549.db2.gz NIKNWBPNPHCUPS-OLZOCXBDSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1cc2cc(CNCc3csc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000353141060 1024963383 /nfs/dbraw/zinc/96/33/83/1024963383.db2.gz QOZOABNCYOAAKG-UHFFFAOYSA-N 0 1 301.371 3.736 20 5 DHBDMN Cc1c([C@H](C)NCc2ccc3cc[nH]c3n2)cccc1[N+](=O)[O-] ZINC000353626451 1025160657 /nfs/dbraw/zinc/16/06/57/1025160657.db2.gz HWYZJSXYGQTWBE-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN CCCCCn1cc(CNCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000348343247 1025270571 /nfs/dbraw/zinc/27/05/71/1025270571.db2.gz KXIAXTIQIUISFA-UHFFFAOYSA-N 0 1 316.405 3.580 20 5 DHBDMN C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000354041184 1025332618 /nfs/dbraw/zinc/33/26/18/1025332618.db2.gz REMJJKRCTONMNI-LRDDRELGSA-N 0 1 316.357 3.867 20 5 DHBDMN CC(=O)c1cc([N+](=O)[O-])ccc1NCc1nc2ccc(C)cc2[nH]1 ZINC000804529235 1025340221 /nfs/dbraw/zinc/34/02/21/1025340221.db2.gz UCOZVIVCCNADST-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN CC[C@@H](NCc1cccnc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000886105157 1025505381 /nfs/dbraw/zinc/50/53/81/1025505381.db2.gz SXBFNDDTLCFTLZ-CQSZACIVSA-N 0 1 305.765 3.884 20 5 DHBDMN CCc1nc2c(s1)[C@H](NCc1ccccc1[N+](=O)[O-])CCC2 ZINC000089512744 1026051095 /nfs/dbraw/zinc/05/10/95/1026051095.db2.gz FPTUCFWWIZRCPS-GFCCVEGCSA-N 0 1 317.414 3.781 20 5 DHBDMN COc1cc(C)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090723785 1026084494 /nfs/dbraw/zinc/08/44/94/1026084494.db2.gz JQHGULKNOMOGTA-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1ccc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946809 1026244827 /nfs/dbraw/zinc/24/48/27/1026244827.db2.gz WISRVNVFIADPBF-VXGBXAGGSA-N 0 1 316.357 3.721 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000280133348 1026596512 /nfs/dbraw/zinc/59/65/12/1026596512.db2.gz CNZRBMURTDJRMD-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccncc2)C2CC2)c(Cl)c1 ZINC000934699064 1028080559 /nfs/dbraw/zinc/08/05/59/1028080559.db2.gz SQKGPWJZCDLHCI-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN C[C@H]1N(Cc2cc([N+](=O)[O-])ccc2Cl)CCC12CCOCC2 ZINC000368832566 1028415215 /nfs/dbraw/zinc/41/52/15/1028415215.db2.gz FQCIBVOVQQVLDG-GFCCVEGCSA-N 0 1 324.808 3.639 20 5 DHBDMN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC(C)(C)C1 ZINC000565425265 1028586678 /nfs/dbraw/zinc/58/66/78/1028586678.db2.gz DDINIMYSXUCEIS-LLVKDONJSA-N 0 1 303.362 3.604 20 5 DHBDMN Cc1ccc(CN(C)[C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000372769264 1028895145 /nfs/dbraw/zinc/89/51/45/1028895145.db2.gz UGKMATDVRKCGOE-MRXNPFEDSA-N 0 1 311.385 3.808 20 5 DHBDMN CC1(C)[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451477129 1029879244 /nfs/dbraw/zinc/87/92/44/1029879244.db2.gz HEWATUIZSRSGED-VQISRLSMSA-N 0 1 324.808 3.541 20 5 DHBDMN Cc1cnc([C@H](C)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451545913 1029908564 /nfs/dbraw/zinc/90/85/64/1029908564.db2.gz HVDKQKGEEXJSRT-ZFWWWQNUSA-N 0 1 315.373 3.832 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@H](c2ccccc2)[C@@H]2CCOC2)cs1 ZINC000357349138 1030008848 /nfs/dbraw/zinc/00/88/48/1030008848.db2.gz CFBHJBJUAQLGDI-GDBMZVCRSA-N 0 1 318.398 3.524 20 5 DHBDMN Cc1ccc(CNCc2cnc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000865788064 1030024204 /nfs/dbraw/zinc/02/42/04/1030024204.db2.gz XTEZDAMQJNUJPR-UHFFFAOYSA-N 0 1 305.765 3.550 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000924796930 1030190040 /nfs/dbraw/zinc/19/00/40/1030190040.db2.gz DQXPWKJSIDPGAN-CHWSQXEVSA-N 0 1 314.389 3.928 20 5 DHBDMN CC[C@H](NCc1ccnc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000357857102 1030224210 /nfs/dbraw/zinc/22/42/10/1030224210.db2.gz UTPHHKGUFHNRTE-HNNXBMFYSA-N 0 1 317.414 3.953 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(C)c2ccccc2C1 ZINC000533413959 1030339791 /nfs/dbraw/zinc/33/97/91/1030339791.db2.gz DWXORUGTHQHMKV-CQSZACIVSA-N 0 1 311.385 3.608 20 5 DHBDMN C[C@@H](N[C@H](C)C1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691883 1030456194 /nfs/dbraw/zinc/45/61/94/1030456194.db2.gz KPDFMQQFQOCDRZ-NXEZZACHSA-N 0 1 313.195 3.561 20 5 DHBDMN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1cnn(C2CCC2)c1 ZINC000926891769 1030972549 /nfs/dbraw/zinc/97/25/49/1030972549.db2.gz KCWXFYLDQCSZFX-CHWSQXEVSA-N 0 1 314.389 3.928 20 5 DHBDMN Cc1c(CNCc2cnc(C3CCC3)s2)cccc1[N+](=O)[O-] ZINC000359820739 1031154014 /nfs/dbraw/zinc/15/40/14/1031154014.db2.gz UYHUEFWYFZNBAR-UHFFFAOYSA-N 0 1 317.414 3.917 20 5 DHBDMN C[C@H](N[C@@H](C1CC1)[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083087 1031479421 /nfs/dbraw/zinc/47/94/21/1031479421.db2.gz GXDJLZSVFQJMFV-CXMBCZLWSA-N 0 1 322.380 3.732 20 5 DHBDMN C[C@H](NC[C@@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088471 1031486088 /nfs/dbraw/zinc/48/60/88/1031486088.db2.gz OYGBMTGQMFYCBB-GZMMTYOYSA-N 0 1 302.296 3.676 20 5 DHBDMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410370 1033503874 /nfs/dbraw/zinc/50/38/74/1033503874.db2.gz ZJVYZFXOIMDEBK-QWHCGFSZSA-N 0 1 302.378 3.784 20 5 DHBDMN Cc1ccc(CN2CCC=C(c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000878617040 1033770318 /nfs/dbraw/zinc/77/03/18/1033770318.db2.gz HWCYNZDADDREMZ-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN CCN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)(C)C ZINC000878636710 1033778525 /nfs/dbraw/zinc/77/85/25/1033778525.db2.gz MMWBPVWFNGVAMO-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3nccs3)C2)ccc1Cl ZINC000880320347 1034297425 /nfs/dbraw/zinc/29/74/25/1034297425.db2.gz SLICSUUMDSVLHF-NSHDSACASA-N 0 1 323.805 3.694 20 5 DHBDMN CC(C)N(Cc1cnn(C(C)C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320450 1034301659 /nfs/dbraw/zinc/30/16/59/1034301659.db2.gz LLMQDKBXLLKGBU-UHFFFAOYSA-N 0 1 316.405 3.783 20 5 DHBDMN COc1cc(CN[C@@H](C)c2ccc(C)cc2)c([N+](=O)[O-])cc1F ZINC000184301000 1034462082 /nfs/dbraw/zinc/46/20/82/1034462082.db2.gz QGJRDCLHVKKVSX-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CCC[C@H](N[C@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852022 1034709661 /nfs/dbraw/zinc/70/96/61/1034709661.db2.gz OPMRAISCXKUBPN-PXAZEXFGSA-N 0 1 316.405 3.829 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@]3(C2)OCc2ccccc23)cc1 ZINC000481677696 1034931003 /nfs/dbraw/zinc/93/10/03/1034931003.db2.gz PXJIDYRTUZZSTA-LJQANCHMSA-N 0 1 324.380 3.616 20 5 DHBDMN C[C@]1(c2ccc(F)cc2)CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000482560054 1035135141 /nfs/dbraw/zinc/13/51/41/1035135141.db2.gz SVIQJHLVCRXFRE-INIZCTEOSA-N 0 1 320.389 3.959 20 5 DHBDMN Cc1ccc2nc(CN[C@H](C)c3cccc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000483853146 1035307302 /nfs/dbraw/zinc/30/73/02/1035307302.db2.gz FPIODMWIGJNJJF-CYBMUJFWSA-N 0 1 324.384 3.939 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN(C)Cc1cccc(F)c1 ZINC001180497197 1035704271 /nfs/dbraw/zinc/70/42/71/1035704271.db2.gz DTIUEWQCGGFTRD-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN C[C@@H]1CC[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089907260 1035784337 /nfs/dbraw/zinc/78/43/37/1035784337.db2.gz WKVKEDDWHOLWGN-QWHCGFSZSA-N 0 1 315.373 3.870 20 5 DHBDMN Cc1ccsc1[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221629 1036019956 /nfs/dbraw/zinc/01/99/56/1036019956.db2.gz VDHRJWWGIQZTJR-OCCSQVGLSA-N 0 1 320.414 3.657 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411420 1036138552 /nfs/dbraw/zinc/13/85/52/1036138552.db2.gz PLXCGLGZMMVGBZ-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1noc(CN2CC[C@@H](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595438910 1036159216 /nfs/dbraw/zinc/15/92/16/1036159216.db2.gz JYTYDWCWDOIFNO-GFCCVEGCSA-N 0 1 307.394 3.684 20 5 DHBDMN Cc1nn(CN(CC(C)(C)C)CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000774642718 1036611714 /nfs/dbraw/zinc/61/17/14/1036611714.db2.gz OPTKQGGEUOBRET-UHFFFAOYSA-N 0 1 310.442 3.760 20 5 DHBDMN CC(C)[C@H](C)N(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000915207963 1036705285 /nfs/dbraw/zinc/70/52/85/1036705285.db2.gz AHCJEWVYRLKDFH-JTQLQIEISA-N 0 1 309.391 3.806 20 5 DHBDMN Cc1c(CN[C@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001197231033 1036714790 /nfs/dbraw/zinc/71/47/90/1036714790.db2.gz TUXOTMWHGPNCEU-GFCCVEGCSA-N 0 1 311.341 3.895 20 5 DHBDMN COc1cc(C[N@@H+](C)C[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC001197602141 1036817633 /nfs/dbraw/zinc/81/76/33/1036817633.db2.gz OCUOCRYDPQXIEE-NSHDSACASA-N 0 1 312.385 3.857 20 5 DHBDMN CC1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774910275 1037203374 /nfs/dbraw/zinc/20/33/74/1037203374.db2.gz VCLVVQVUSSNKCD-UHFFFAOYSA-N 0 1 307.350 3.515 20 5 DHBDMN C[C@@H]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052445 1037499438 /nfs/dbraw/zinc/49/94/38/1037499438.db2.gz DHJRFZABHSYDCG-MLGOLLRUSA-N 0 1 319.361 3.515 20 5 DHBDMN CCS[C@H]1CCCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000490397653 1037703225 /nfs/dbraw/zinc/70/32/25/1037703225.db2.gz IUZBMXYUNNEFTG-AWEZNQCLSA-N 0 1 312.410 3.842 20 5 DHBDMN Nc1cc(CCCCNc2cc(Cl)ccc2[N+](=O)[O-])ccn1 ZINC001187739803 1037715832 /nfs/dbraw/zinc/71/58/32/1037715832.db2.gz JZCYIDQYUCCXKO-UHFFFAOYSA-N 0 1 320.780 3.660 20 5 DHBDMN CC1(C)CCC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001191683627 1038533531 /nfs/dbraw/zinc/53/35/31/1038533531.db2.gz ZOBQQJQSWKGOKX-KRWDZBQOSA-N 0 1 318.417 3.907 20 5 DHBDMN CC1(C)CCC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC001191683627 1038533552 /nfs/dbraw/zinc/53/35/52/1038533552.db2.gz ZOBQQJQSWKGOKX-KRWDZBQOSA-N 0 1 318.417 3.907 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cs1 ZINC000589743974 1038535783 /nfs/dbraw/zinc/53/57/83/1038535783.db2.gz VKOWHAMJPSQMSM-RBSFLKMASA-N 0 1 324.446 3.562 20 5 DHBDMN COc1cc(C)ccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573020261 1038735605 /nfs/dbraw/zinc/73/56/05/1038735605.db2.gz FSMAUBAYWYZLDW-INIZCTEOSA-N 0 1 312.369 3.689 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC[C@H]3C3CCC3)nc2c1 ZINC000592197410 1039181218 /nfs/dbraw/zinc/18/12/18/1039181218.db2.gz CBSNUROMCMRDDG-INIZCTEOSA-N 0 1 314.389 3.626 20 5 DHBDMN C[C@@H]1[C@@H](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000573985075 1039193940 /nfs/dbraw/zinc/19/39/40/1039193940.db2.gz MPOFCJAKOXCHFV-VHSXEESVSA-N 0 1 302.296 3.844 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3)c(Cl)c1 ZINC000599552623 1039212233 /nfs/dbraw/zinc/21/22/33/1039212233.db2.gz GPXNMSGKSLGBGG-OLZOCXBDSA-N 0 1 312.822 3.718 20 5 DHBDMN CCOc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505440 1039803497 /nfs/dbraw/zinc/80/34/97/1039803497.db2.gz VBHVOPZPJFECSC-MRXNPFEDSA-N 0 1 312.369 3.771 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc(F)c(C)c1 ZINC000595002971 1040013706 /nfs/dbraw/zinc/01/37/06/1040013706.db2.gz AJVCWWFBAWXFNI-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CCSCC[C@H](C)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595377401 1040127508 /nfs/dbraw/zinc/12/75/08/1040127508.db2.gz NHUBLGDQQIJJGT-NSHDSACASA-N 0 1 300.399 3.697 20 5 DHBDMN Cc1nc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)o1 ZINC000595522057 1040159843 /nfs/dbraw/zinc/15/98/43/1040159843.db2.gz IEMLGTMHVKNMDG-OAHLLOKOSA-N 0 1 315.373 3.579 20 5 DHBDMN CC(C)c1ccc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)cc1[N+](=O)[O-] ZINC000596656544 1040523348 /nfs/dbraw/zinc/52/33/48/1040523348.db2.gz KZSOYRWYZJRHPB-UHFFFAOYSA-N 0 1 322.405 3.651 20 5 DHBDMN Cn1cc(CN[C@H](CC(C)(C)C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602798885 1041220654 /nfs/dbraw/zinc/22/06/54/1041220654.db2.gz GWSOYVJDGOODHW-OAHLLOKOSA-N 0 1 316.405 3.595 20 5 DHBDMN CCOc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000042976780 183325495 /nfs/dbraw/zinc/32/54/95/183325495.db2.gz CUOMYHOCOSEOQH-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN COc1ccccc1C(C)(C)NCc1cccc([N+](=O)[O-])c1C ZINC000103483933 193936289 /nfs/dbraw/zinc/93/62/89/193936289.db2.gz CSSQWXWYUWZXRY-UHFFFAOYSA-N 0 1 314.385 3.937 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC2(CCOCC2)CC1 ZINC000284697374 131104437 /nfs/dbraw/zinc/10/44/37/131104437.db2.gz HWJZBWXHTYYTFC-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H](C)OC2(CCC2)C1 ZINC000584292314 332220719 /nfs/dbraw/zinc/22/07/19/332220719.db2.gz GFXYTLHLCIRJOF-MZLJFPOFSA-N 0 1 316.401 3.642 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)OC2(CCC2)C1 ZINC000584292311 332220782 /nfs/dbraw/zinc/22/07/82/332220782.db2.gz GFXYTLHLCIRJOF-AAWPKVBNSA-N 0 1 316.401 3.642 20 5 DHBDMN COc1cnccc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059199 332955089 /nfs/dbraw/zinc/95/50/89/332955089.db2.gz BWUDWJVOJOCZJA-QWHCGFSZSA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1ccc2c(c1)[C@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419505 333603209 /nfs/dbraw/zinc/60/32/09/333603209.db2.gz XTEAGYXWDLUHSE-JKSUJKDBSA-N 0 1 310.353 3.614 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1cnccc1C(C)(C)C ZINC000414505048 334000517 /nfs/dbraw/zinc/00/05/17/334000517.db2.gz ZGUZMNNBJPDDBJ-UHFFFAOYSA-N 0 1 313.401 3.886 20 5 DHBDMN Cc1nn(C(C)C)cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295965494 334228877 /nfs/dbraw/zinc/22/88/77/334228877.db2.gz IBUOMYZXWGVTLB-LBPRGKRZSA-N 0 1 302.378 3.531 20 5 DHBDMN CN(CCCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000534601033 334296362 /nfs/dbraw/zinc/29/63/62/334296362.db2.gz QPQHFVCLHMAEIK-UHFFFAOYSA-N 0 1 302.349 3.799 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1COCc3ccccc31)CCC2 ZINC000417373958 334764916 /nfs/dbraw/zinc/76/49/16/334764916.db2.gz YPVIOSIALYUBOM-MOPGFXCFSA-N 0 1 324.380 3.833 20 5 DHBDMN CC[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000344483903 335253192 /nfs/dbraw/zinc/25/31/92/335253192.db2.gz UMMMGQWRRPXKLN-HNNXBMFYSA-N 0 1 322.311 3.820 20 5 DHBDMN COc1cc(CN(C)Cc2sccc2C)ccc1[N+](=O)[O-] ZINC000351970716 336184367 /nfs/dbraw/zinc/18/43/67/336184367.db2.gz HYIYEDLLYZHYSS-UHFFFAOYSA-N 0 1 306.387 3.605 20 5 DHBDMN C[C@H](N(C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)(C)C ZINC000532489320 336250265 /nfs/dbraw/zinc/25/02/65/336250265.db2.gz AAOIAHLKBGQESG-NSHDSACASA-N 0 1 318.377 3.511 20 5 DHBDMN Cc1ccc(NCCc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000301719038 336325476 /nfs/dbraw/zinc/32/54/76/336325476.db2.gz LUPUDPNJGMHGRG-UHFFFAOYSA-N 0 1 314.320 3.573 20 5 DHBDMN CN(C)Cc1ccc(CNc2ccc(F)cc2[N+](=O)[O-])cc1F ZINC000301887517 336336362 /nfs/dbraw/zinc/33/63/62/336336362.db2.gz PLAHTLXHFATYDI-UHFFFAOYSA-N 0 1 321.327 3.547 20 5 DHBDMN Cc1cccc2nc(CNc3ccc(F)cc3[N+](=O)[O-])[nH]c21 ZINC000301902174 336337255 /nfs/dbraw/zinc/33/72/55/336337255.db2.gz WDFBILYIWVMXKS-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN CSc1ccc(C)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000356780232 336560732 /nfs/dbraw/zinc/56/07/32/336560732.db2.gz NHCAVANYGOPKFJ-UHFFFAOYSA-N 0 1 318.354 3.583 20 5 DHBDMN Cc1c([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)cnn1C(C)C ZINC000358339455 336624906 /nfs/dbraw/zinc/62/49/06/336624906.db2.gz NXBZWEVXCBLLJU-CYBMUJFWSA-N 0 1 316.405 3.840 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC(OCC2CCCC2)CC1 ZINC000177492349 337156276 /nfs/dbraw/zinc/15/62/76/337156276.db2.gz JAAQBQJBTNYUMG-UHFFFAOYSA-N 0 1 318.417 3.766 20 5 DHBDMN CSCC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182339462 337188053 /nfs/dbraw/zinc/18/80/53/337188053.db2.gz NIXZRXPFDOWUHJ-JTQLQIEISA-N 0 1 302.827 3.822 20 5 DHBDMN Cc1c(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cccc1[N+](=O)[O-] ZINC000186710082 337258949 /nfs/dbraw/zinc/25/89/49/337258949.db2.gz POGINXRTURDBEJ-IBGZPJMESA-N 0 1 324.380 3.535 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cccc(C2CC2)c1 ZINC000421319535 337526113 /nfs/dbraw/zinc/52/61/13/337526113.db2.gz ADDXHXKTACNDIC-UHFFFAOYSA-N 0 1 312.369 3.771 20 5 DHBDMN C[C@@H](NCc1cnc(C(C)(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000284508739 337582555 /nfs/dbraw/zinc/58/25/55/337582555.db2.gz YGCVJOCTNXTJFE-GFCCVEGCSA-N 0 1 314.389 3.533 20 5 DHBDMN CN(C)c1ccccc1CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429241044 338074405 /nfs/dbraw/zinc/07/44/05/338074405.db2.gz ZBIJKVCZSSMCQA-UHFFFAOYSA-N 0 1 313.401 3.686 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CCc2ccccc21 ZINC000430213978 338101712 /nfs/dbraw/zinc/10/17/12/338101712.db2.gz DHLNJTUDFZVWNM-KRWDZBQOSA-N 0 1 312.369 3.723 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CNC(C)(C)c1cccs1 ZINC000430228282 338102235 /nfs/dbraw/zinc/10/22/35/338102235.db2.gz RYUKOMBIZTTWOB-UHFFFAOYSA-N 0 1 306.387 3.690 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCN(C)c1ccccc1 ZINC000436394482 338270616 /nfs/dbraw/zinc/27/06/16/338270616.db2.gz WMLTUQJUCCCVJT-OAHLLOKOSA-N 0 1 313.401 3.724 20 5 DHBDMN COc1cccc(OC)c1SCc1cc(O)ccc1[N+](=O)[O-] ZINC000436474536 338273560 /nfs/dbraw/zinc/27/35/60/338273560.db2.gz JZQJSCOPGLQGEI-UHFFFAOYSA-N 0 1 321.354 3.610 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccsc2)N(C)C)c1 ZINC000446891144 338539921 /nfs/dbraw/zinc/53/99/21/338539921.db2.gz UQZAVEIJDVACRH-HNNXBMFYSA-N 0 1 305.403 3.680 20 5 DHBDMN Cc1cc(N[C@@H]2CCCSC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000167386262 339053521 /nfs/dbraw/zinc/05/35/21/339053521.db2.gz XQVDQYKNDAVPLS-LLVKDONJSA-N 0 1 303.387 3.759 20 5 DHBDMN CC1(C)[C@@H](C(F)(F)F)CCN1Cc1ccccc1[N+](=O)[O-] ZINC000470009407 339308432 /nfs/dbraw/zinc/30/84/32/339308432.db2.gz PETQKSPCIHTQLG-LBPRGKRZSA-N 0 1 302.296 3.758 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1scnc1C ZINC000470169832 339312573 /nfs/dbraw/zinc/31/25/73/339312573.db2.gz KRXBBQNWMATRPA-KPKJPENVSA-N 0 1 317.414 3.895 20 5 DHBDMN Cc1c(CN2CC[C@H](C(F)(F)F)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000470956268 339332799 /nfs/dbraw/zinc/33/27/99/339332799.db2.gz BJKKQINTAZCMGG-JQWIXIFHSA-N 0 1 302.296 3.676 20 5 DHBDMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538020851 340807535 /nfs/dbraw/zinc/80/75/35/340807535.db2.gz JBUNVTTXZZDLNS-SWLSCSKDSA-N 0 1 320.414 3.657 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(CCCc1ccsc1)C2 ZINC000543063744 341030118 /nfs/dbraw/zinc/03/01/18/341030118.db2.gz SHCRWTOVUQCYEK-UHFFFAOYSA-N 0 1 302.399 3.647 20 5 DHBDMN Cc1cc(Br)cc2[nH]c(-c3ccc([N+](=O)[O-])o3)nc21 ZINC000545337674 341122293 /nfs/dbraw/zinc/12/22/93/341122293.db2.gz FBJHOGLVLSTNFG-UHFFFAOYSA-N 0 1 322.118 3.802 20 5 DHBDMN CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000080932462 341276790 /nfs/dbraw/zinc/27/67/90/341276790.db2.gz VTOADBOMGCLJDB-ZDUSSCGKSA-N 0 1 300.358 3.884 20 5 DHBDMN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549613504 341299126 /nfs/dbraw/zinc/29/91/26/341299126.db2.gz KOJVHUBWHHWEKQ-CQSZACIVSA-N 0 1 314.385 3.672 20 5 DHBDMN CCc1noc(C)c1CNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000550239889 341313366 /nfs/dbraw/zinc/31/33/66/341313366.db2.gz ZTCPKYXCWYOIHZ-XYOKQWHBSA-N 0 1 315.373 3.647 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1ccc2c(n1)CCCC2 ZINC000565218890 341520564 /nfs/dbraw/zinc/52/05/64/341520564.db2.gz SODWGBAUBTUXNJ-SFHVURJKSA-N 0 1 323.396 3.646 20 5 DHBDMN CCC[C@H](N[C@@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268995961 341606257 /nfs/dbraw/zinc/60/62/57/341606257.db2.gz HTQDGYHXDIJKTD-ROUUACIJSA-N 0 1 314.385 3.759 20 5 DHBDMN Cc1c(CN[C@H]2CCCc3c(O)cccc32)cccc1[N+](=O)[O-] ZINC000192349991 341799772 /nfs/dbraw/zinc/79/97/72/341799772.db2.gz TUXCFEOWPQEKMV-INIZCTEOSA-N 0 1 312.369 3.776 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2cc(F)ccc21 ZINC000122384465 525462619 /nfs/dbraw/zinc/46/26/19/525462619.db2.gz FWCKAKHUJKUCPL-INIZCTEOSA-N 0 1 316.332 3.520 20 5 DHBDMN CSCc1cccc(CNCc2cccc([N+](=O)[O-])c2)c1 ZINC000189480054 525739301 /nfs/dbraw/zinc/73/93/01/525739301.db2.gz QFMJMSLKLBPFIF-UHFFFAOYSA-N 0 1 302.399 3.748 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000182745023 526090082 /nfs/dbraw/zinc/09/00/82/526090082.db2.gz XPAQCXRGYUEYEQ-SUMWQHHRSA-N 0 1 314.389 3.535 20 5 DHBDMN COCC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568076 536808506 /nfs/dbraw/zinc/80/85/06/536808506.db2.gz FOILXGOZCRQSOQ-XJKSGUPXSA-N 0 1 318.373 3.925 20 5 DHBDMN COCC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000272568073 536810223 /nfs/dbraw/zinc/81/02/23/536810223.db2.gz FOILXGOZCRQSOQ-CZUORRHYSA-N 0 1 318.373 3.925 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1csc(C)c1 ZINC000297866653 536956131 /nfs/dbraw/zinc/95/61/31/536956131.db2.gz UITGTPKASYVEFM-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN CC(C)CCOCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000517839232 1013084858 /nfs/dbraw/zinc/08/48/58/1013084858.db2.gz PJFILNCDEOSHGD-UHFFFAOYSA-N 0 1 308.422 3.868 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OCC2CC2)CC1 ZINC000610372091 1014001460 /nfs/dbraw/zinc/00/14/60/1014001460.db2.gz IDJYDKJKANFDFS-ZDUSSCGKSA-N 0 1 304.390 3.547 20 5 DHBDMN CC(C)C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000474208600 1015185202 /nfs/dbraw/zinc/18/52/02/1015185202.db2.gz OOZKNHPLWYUHMX-UHFFFAOYSA-N 0 1 321.421 3.537 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CC[C@H](CF)C3)cs2)c1 ZINC000895574767 1015206414 /nfs/dbraw/zinc/20/64/14/1015206414.db2.gz ZOFACDVOTBQMTP-LLVKDONJSA-N 0 1 321.377 3.510 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN3CC[C@H](CF)C3)cs2)c1 ZINC000895574767 1015206419 /nfs/dbraw/zinc/20/64/19/1015206419.db2.gz ZOFACDVOTBQMTP-LLVKDONJSA-N 0 1 321.377 3.510 20 5 DHBDMN CCC(C)(C)OCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000308633773 1015533427 /nfs/dbraw/zinc/53/34/27/1015533427.db2.gz AOFWXZQYHCSTIP-UHFFFAOYSA-N 0 1 300.786 3.543 20 5 DHBDMN CCC(C)(C)OCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000308756149 1015768616 /nfs/dbraw/zinc/76/86/16/1015768616.db2.gz WLFWRQLEFRKJMI-UHFFFAOYSA-N 0 1 300.786 3.543 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2c1cccc2C ZINC000610810538 1015849302 /nfs/dbraw/zinc/84/93/02/1015849302.db2.gz IERSWVBPOZKOBO-KRWDZBQOSA-N 0 1 312.369 3.689 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277133759 1015904802 /nfs/dbraw/zinc/90/48/02/1015904802.db2.gz CUAAUKKFAWQQEB-IUCAKERBSA-N 0 1 307.329 3.539 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000051453684 1016391834 /nfs/dbraw/zinc/39/18/34/1016391834.db2.gz DCQACKKTQXKIAA-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN C[C@H](NCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000346795109 1016562659 /nfs/dbraw/zinc/56/26/59/1016562659.db2.gz NBZDUVBIXGTFQA-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN Cc1ccccc1C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338933490 1016767837 /nfs/dbraw/zinc/76/78/37/1016767837.db2.gz KKFWTWWQPKDVCV-UHFFFAOYSA-N 0 1 312.369 3.773 20 5 DHBDMN Cc1ccccc1C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338933490 1016767854 /nfs/dbraw/zinc/76/78/54/1016767854.db2.gz KKFWTWWQPKDVCV-UHFFFAOYSA-N 0 1 312.369 3.773 20 5 DHBDMN Cc1ccc2c(c1)[C@H](NCc1ccc([N+](=O)[O-])cc1)CCCO2 ZINC000089513428 1032150761 /nfs/dbraw/zinc/15/07/61/1032150761.db2.gz ZQQKZHXNJBDMKO-QGZVFWFLSA-N 0 1 312.369 3.907 20 5 DHBDMN CCOC(CN(CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C)OCC ZINC000846977027 1032175066 /nfs/dbraw/zinc/17/50/66/1032175066.db2.gz YFUCYFJULBIJLG-AWEZNQCLSA-N 0 1 324.421 3.685 20 5 DHBDMN CN(Cc1c2ccccc2cc2ccccc21)C(=O)c1cnc[nH]1 ZINC001147254041 1032292750 /nfs/dbraw/zinc/29/27/50/1032292750.db2.gz MZNABPYBMWWXKX-UHFFFAOYSA-N 0 1 315.376 3.988 20 5 DHBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121484 1032564292 /nfs/dbraw/zinc/56/42/92/1032564292.db2.gz RIIXFKCHTVGWNH-VXGBXAGGSA-N 0 1 303.362 3.733 20 5 DHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000424314220 1011976637 /nfs/dbraw/zinc/97/66/37/1011976637.db2.gz CAKSEBLNDYYAIK-JEBQAFNWSA-N 0 1 314.360 3.753 20 5 DHBDMN COc1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000126979443 1012511478 /nfs/dbraw/zinc/51/14/78/1012511478.db2.gz FMQPIVXDROBNSD-UHFFFAOYSA-N 0 1 312.369 3.768 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)Nc1cnn(-c2ccncc2)c1 ZINC000611480897 1017218497 /nfs/dbraw/zinc/21/84/97/1017218497.db2.gz QQMBUASASLHEEG-ZDUSSCGKSA-N 0 1 323.356 3.657 20 5 DHBDMN CC(C)CCN(C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000053364143 1017550093 /nfs/dbraw/zinc/55/00/93/1017550093.db2.gz HSEAXDJWULWMOG-LBPRGKRZSA-N 0 1 318.377 3.684 20 5 DHBDMN CCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178654227 1017559026 /nfs/dbraw/zinc/55/90/26/1017559026.db2.gz ZWSQWXJYJLIIFC-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1ccc(F)c(CN(C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000444742249 1017655036 /nfs/dbraw/zinc/65/50/36/1017655036.db2.gz WKIOUVIICJRFFL-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN C[C@H](N[C@@H]1CCc2ccc(Cl)nc21)c1ccc([N+](=O)[O-])cc1 ZINC000857913480 1032716651 /nfs/dbraw/zinc/71/66/51/1032716651.db2.gz LEIVFDVNJBULNM-IINYFYTJSA-N 0 1 317.776 3.981 20 5 DHBDMN CC1(C)CCCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446060486 1018046074 /nfs/dbraw/zinc/04/60/74/1018046074.db2.gz KEBJXJPJLMZRKV-UHFFFAOYSA-N 0 1 303.362 3.748 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@@H]3C(F)F)o2)cc1 ZINC000583522627 1018531062 /nfs/dbraw/zinc/53/10/62/1018531062.db2.gz RTBXUIBSNLMETF-STQMWFEESA-N 0 1 308.284 3.598 20 5 DHBDMN CCOC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000091678094 1018885088 /nfs/dbraw/zinc/88/50/88/1018885088.db2.gz ABIBJKSWOUTXPG-UHFFFAOYSA-N 0 1 306.406 3.719 20 5 DHBDMN C[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368774021 1019548093 /nfs/dbraw/zinc/54/80/93/1019548093.db2.gz XXBQDWOAFUZDBP-CYBMUJFWSA-N 0 1 322.368 3.836 20 5 DHBDMN CC(C)N1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001230040670 1020053470 /nfs/dbraw/zinc/05/34/70/1020053470.db2.gz OBYLJWUQDOQIQK-VIFPVBQESA-N 0 1 319.188 3.763 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc3c[nH]nc3c2)C2CC2)cc1 ZINC000154255141 1020085840 /nfs/dbraw/zinc/08/58/40/1020085840.db2.gz JKPJWXKDDZOKDS-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc3c[nH]nc3c2)C2CC2)cc1 ZINC000154255141 1020085851 /nfs/dbraw/zinc/08/58/51/1020085851.db2.gz JKPJWXKDDZOKDS-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000298706274 1020457967 /nfs/dbraw/zinc/45/79/67/1020457967.db2.gz RKUAKSHHHXEWCO-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC(C(C)(C)C)CC1 ZINC000734836062 1020667799 /nfs/dbraw/zinc/66/77/99/1020667799.db2.gz XGQYOJAJYPRFFW-UHFFFAOYSA-N 0 1 306.406 3.862 20 5 DHBDMN CCCCCCN(C)CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000735647277 1020759397 /nfs/dbraw/zinc/75/93/97/1020759397.db2.gz XSYZXOVEWWGKCF-UHFFFAOYSA-N 0 1 321.421 3.662 20 5 DHBDMN COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000537952492 1032950942 /nfs/dbraw/zinc/95/09/42/1032950942.db2.gz HZJWNZJSLRQMPE-KBXCAEBGSA-N 0 1 314.385 3.942 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000537945285 1032954081 /nfs/dbraw/zinc/95/40/81/1032954081.db2.gz HQXHSFKDZGPTIE-NEPJUHHUSA-N 0 1 317.393 3.557 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850530187 1021582757 /nfs/dbraw/zinc/58/27/57/1021582757.db2.gz WMQYCLQGMODCQI-ULFGMLNVSA-N 0 1 312.369 3.732 20 5 DHBDMN O=[N+]([O-])c1cccc(CCNc2cc[nH+]c3c([O-])cccc23)c1 ZINC000619487331 1021769910 /nfs/dbraw/zinc/76/99/10/1021769910.db2.gz VTHJODGECDLOJW-UHFFFAOYSA-N 0 1 309.325 3.503 20 5 DHBDMN CC[C@H](NCc1csc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000037562948 1021838704 /nfs/dbraw/zinc/83/87/04/1021838704.db2.gz UBMJLSQFTBKHCR-AWEZNQCLSA-N 0 1 306.387 3.906 20 5 DHBDMN Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290484685 1022048559 /nfs/dbraw/zinc/04/85/59/1022048559.db2.gz OFOQPIUZDNWMPM-HNNXBMFYSA-N 0 1 314.389 3.580 20 5 DHBDMN Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290484685 1022048570 /nfs/dbraw/zinc/04/85/70/1022048570.db2.gz OFOQPIUZDNWMPM-HNNXBMFYSA-N 0 1 314.389 3.580 20 5 DHBDMN Cc1cccc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000183350477 1022112429 /nfs/dbraw/zinc/11/24/29/1022112429.db2.gz SWCYZBLUQWQQIA-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]1Cc1ccccc1 ZINC000752313929 1022124328 /nfs/dbraw/zinc/12/43/28/1022124328.db2.gz JGXCPJVJHBANTD-MRXNPFEDSA-N 0 1 300.333 3.551 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC([C@H]3CCCCO3)CC2)cc1F ZINC000852593089 1022145954 /nfs/dbraw/zinc/14/59/54/1022145954.db2.gz CFPRBYOKNRNTRQ-QGZVFWFLSA-N 0 1 322.380 3.515 20 5 DHBDMN CN(CCCCCCCO)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514526 1022392717 /nfs/dbraw/zinc/39/27/17/1022392717.db2.gz WDMVDLROFFISNO-UHFFFAOYSA-N 0 1 314.813 3.623 20 5 DHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc2nccn21 ZINC000179696274 1022511918 /nfs/dbraw/zinc/51/19/18/1022511918.db2.gz XVNUEVMVDSKYSC-UHFFFAOYSA-N 0 1 324.384 3.653 20 5 DHBDMN CC(C)N(Cc1cnc2ccccn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000158638925 1022651804 /nfs/dbraw/zinc/65/18/04/1022651804.db2.gz VQWUBEFPDQCJMP-UHFFFAOYSA-N 0 1 324.384 3.653 20 5 DHBDMN Cc1ncsc1CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314143 1022678290 /nfs/dbraw/zinc/67/82/90/1022678290.db2.gz QSCJCHJNAIOXJB-OAHLLOKOSA-N 0 1 317.414 3.917 20 5 DHBDMN Cc1c(CN[C@@H]2CCc3c2cc(F)cc3F)cccc1[N+](=O)[O-] ZINC000616289613 1022684211 /nfs/dbraw/zinc/68/42/11/1022684211.db2.gz DDBAXZTXRADCOU-MRXNPFEDSA-N 0 1 318.323 3.959 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2ccc3c(c2)COC3)C2CC2)cc1 ZINC000768338008 1022948163 /nfs/dbraw/zinc/94/81/63/1022948163.db2.gz YCYIKSJAQLJAAB-UHFFFAOYSA-N 0 1 324.380 3.790 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccco3)C2)ccc1Cl ZINC000768541925 1022985762 /nfs/dbraw/zinc/98/57/62/1022985762.db2.gz MYMVPNOLFNHZPL-LBPRGKRZSA-N 0 1 306.749 3.831 20 5 DHBDMN O=C(Nc1ccc2ccccc2c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769458913 1023159496 /nfs/dbraw/zinc/15/94/96/1023159496.db2.gz CLKWHPDQHHBHBD-UHFFFAOYSA-N 0 1 308.293 3.706 20 5 DHBDMN CC(C)c1[nH]nc(C(=O)N(C)C2CCCCCCC2)c1[N+](=O)[O-] ZINC000771397835 1023433239 /nfs/dbraw/zinc/43/32/39/1023433239.db2.gz WTEWBKKOILLGMX-UHFFFAOYSA-N 0 1 322.409 3.626 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H](c2ccco2)C1 ZINC000746674390 1023784206 /nfs/dbraw/zinc/78/42/06/1023784206.db2.gz VUYJPCZVILMEJV-NSHDSACASA-N 0 1 306.749 3.831 20 5 DHBDMN CC[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000181813834 1023816495 /nfs/dbraw/zinc/81/64/95/1023816495.db2.gz GHIRSBJJFNJAME-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN C[C@@H](NCc1ccc(F)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585444 1023910624 /nfs/dbraw/zinc/91/06/24/1023910624.db2.gz VHXNTUOHBXOKPW-SECBINFHSA-N 0 1 323.755 3.820 20 5 DHBDMN CC(C)[C@@H](C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270582653 1024405770 /nfs/dbraw/zinc/40/57/70/1024405770.db2.gz IXJKMSAMGJPZNS-GFCCVEGCSA-N 0 1 303.362 3.726 20 5 DHBDMN Cc1c(CN[C@H]2c3ccccc3NC2(C)C)cccc1[N+](=O)[O-] ZINC000883462901 1024440868 /nfs/dbraw/zinc/44/08/68/1024440868.db2.gz CWMPMVXYMSQXEX-KRWDZBQOSA-N 0 1 311.385 3.938 20 5 DHBDMN C[C@H]1CC[C@H](C)N1Cc1ccc([N+](=O)[O-])cc1Br ZINC001320408485 1024441465 /nfs/dbraw/zinc/44/14/65/1024441465.db2.gz KIJPYIMXPFWUCU-UWVGGRQHSA-N 0 1 313.195 3.730 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000271267617 1024480288 /nfs/dbraw/zinc/48/02/88/1024480288.db2.gz ACBMJSPWYMZCJO-JTQLQIEISA-N 0 1 321.764 3.503 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000349987759 1024778732 /nfs/dbraw/zinc/77/87/32/1024778732.db2.gz ABHNIOGBUUYKAV-INIZCTEOSA-N 0 1 312.369 3.508 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC2(Cl)Cl)c1 ZINC000877087692 1033236009 /nfs/dbraw/zinc/23/60/09/1033236009.db2.gz PLDSVPAUURIDMI-QMMMGPOBSA-N 0 1 309.580 3.532 20 5 DHBDMN C[C@H](CNCc1nc(Cl)cs1)c1ccccc1[N+](=O)[O-] ZINC000897463073 1025367427 /nfs/dbraw/zinc/36/74/27/1025367427.db2.gz ASPRVHHWMLQNCO-SECBINFHSA-N 0 1 311.794 3.598 20 5 DHBDMN COc1ccc(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000080962442 1025974512 /nfs/dbraw/zinc/97/45/12/1025974512.db2.gz CKTFOAVKMYKEET-LBPRGKRZSA-N 0 1 316.357 3.502 20 5 DHBDMN CC(=O)c1ccc([N+](=O)[O-])cc1NCc1nc2ccc(C)cc2[nH]1 ZINC000807987579 1026164313 /nfs/dbraw/zinc/16/43/13/1026164313.db2.gz FPRFCRCIDIXDFD-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000280166778 1026604879 /nfs/dbraw/zinc/60/48/79/1026604879.db2.gz FSONCCVBZFSYNT-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN Cc1ccc2nc([C@@H]3CCCN3c3ncccc3[N+](=O)[O-])[nH]c2c1 ZINC000562295665 1027349413 /nfs/dbraw/zinc/34/94/13/1027349413.db2.gz WITWMLHBQMXIDD-AWEZNQCLSA-N 0 1 323.356 3.516 20 5 DHBDMN CCN(Cc1csc([N+](=O)[O-])c1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852390 1027449375 /nfs/dbraw/zinc/44/93/75/1027449375.db2.gz FKFVOROCVMYRJH-MLGOLLRUSA-N 0 1 320.414 3.600 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1C ZINC000933484760 1027741626 /nfs/dbraw/zinc/74/16/26/1027741626.db2.gz QIRGQLGQYUYNOQ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933489816 1027744383 /nfs/dbraw/zinc/74/43/83/1027744383.db2.gz JKENMLXYUILZAX-LLVKDONJSA-N 0 1 316.332 3.520 20 5 DHBDMN CCCCN1C(=O)N=NC1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000007476203 1027805679 /nfs/dbraw/zinc/80/56/79/1027805679.db2.gz LWXMCJWNNJRDAW-SNVBAGLBSA-N 0 1 322.390 3.545 20 5 DHBDMN C[C@H](NCc1ccc(C(F)F)nc1)c1cccc([N+](=O)[O-])c1 ZINC000601101836 1027985639 /nfs/dbraw/zinc/98/56/39/1027985639.db2.gz YRIJQCCMEIGHLV-JTQLQIEISA-N 0 1 307.300 3.778 20 5 DHBDMN CC(C)c1ccc(CN[C@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601173594 1028012316 /nfs/dbraw/zinc/01/23/16/1028012316.db2.gz DIBWEOXPOJCYIU-HNNXBMFYSA-N 0 1 314.389 3.539 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H](c2ccncc2)C2CC2)c(Cl)c1 ZINC000934699063 1028079886 /nfs/dbraw/zinc/07/98/86/1028079886.db2.gz SQKGPWJZCDLHCI-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN CCC[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575767 1028551979 /nfs/dbraw/zinc/55/19/79/1028551979.db2.gz ZQXVCQWOMJMRCL-LRDDRELGSA-N 0 1 314.389 3.764 20 5 DHBDMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462328 1028683777 /nfs/dbraw/zinc/68/37/77/1028683777.db2.gz SJRMCMZTDZXNSP-PWSUYJOCSA-N 0 1 302.296 3.758 20 5 DHBDMN CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449504825 1028723895 /nfs/dbraw/zinc/72/38/95/1028723895.db2.gz WFAOSLZAKIBFGA-QGZVFWFLSA-N 0 1 320.433 3.965 20 5 DHBDMN CN1CCC[C@H](NCc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000449653958 1028890752 /nfs/dbraw/zinc/89/07/52/1028890752.db2.gz UICPEKGRIXPOQC-AWEZNQCLSA-N 0 1 317.414 3.717 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cnc(C2CC2)o1 ZINC000449708172 1028932317 /nfs/dbraw/zinc/93/23/17/1028932317.db2.gz UGZXRHPPSFUZST-KPKJPENVSA-N 0 1 313.357 3.653 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2ccncc2)C1 ZINC000451002209 1029762702 /nfs/dbraw/zinc/76/27/02/1029762702.db2.gz SEZSOVUMBSVMKO-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000451167513 1029810485 /nfs/dbraw/zinc/81/04/85/1029810485.db2.gz UZYKYEKZHXWZKP-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1ncc([C@@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000865700935 1029982919 /nfs/dbraw/zinc/98/29/19/1029982919.db2.gz CRNFHIZNONZVSU-MRVPVSSYSA-N 0 1 311.794 3.864 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCCO1 ZINC000290988307 1030273424 /nfs/dbraw/zinc/27/34/24/1030273424.db2.gz ZMDLAWBAPJQSJX-NSHDSACASA-N 0 1 319.188 3.560 20 5 DHBDMN Cc1ccc2ncc(CNC(C)(C)c3ccccc3[N+](=O)[O-])n2c1 ZINC000291674863 1030592635 /nfs/dbraw/zinc/59/26/35/1030592635.db2.gz GYSIKOXPDMRDAG-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(C3CC3)cc2F)cc1 ZINC000291787375 1030644686 /nfs/dbraw/zinc/64/46/86/1030644686.db2.gz VQCPULPZGGNMGM-UHFFFAOYSA-N 0 1 300.333 3.901 20 5 DHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000360056610 1031257780 /nfs/dbraw/zinc/25/77/80/1031257780.db2.gz XSRIGAQKRLEAFL-PSASIEDQSA-N 0 1 321.356 3.847 20 5 DHBDMN C[C@H](CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000872061122 1031453902 /nfs/dbraw/zinc/45/39/02/1031453902.db2.gz BUOAEKWERCHHKP-ZJUUUORDSA-N 0 1 309.366 3.645 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000561400944 1031881756 /nfs/dbraw/zinc/88/17/56/1031881756.db2.gz FKHFHJMPYKLHKE-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000361412767 1031915938 /nfs/dbraw/zinc/91/59/38/1031915938.db2.gz MPOABMJFPYXVSG-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN Cc1nc2ccc(COc3cc(C)c([N+](=O)[O-])cc3F)cc2[nH]1 ZINC000479183492 1033684409 /nfs/dbraw/zinc/68/44/09/1033684409.db2.gz JHJUUBGRTNQNOF-UHFFFAOYSA-N 0 1 315.304 3.806 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2ccc(Cl)cc2C1 ZINC000339057379 1034115687 /nfs/dbraw/zinc/11/56/87/1034115687.db2.gz AVIHDVHRHOIVRH-UHFFFAOYSA-N 0 1 318.760 3.512 20 5 DHBDMN C/C(=C/c1ccccc1)C[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461306 1034719345 /nfs/dbraw/zinc/71/93/45/1034719345.db2.gz AKKQPHPLTLXZLV-UVTDQMKNSA-N 0 1 312.369 3.836 20 5 DHBDMN C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555461306 1034719361 /nfs/dbraw/zinc/71/93/61/1034719361.db2.gz AKKQPHPLTLXZLV-UVTDQMKNSA-N 0 1 312.369 3.836 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCc2c(O)cccc2C1 ZINC000600209170 1034816270 /nfs/dbraw/zinc/81/62/70/1034816270.db2.gz XVBKQCQJTLWANJ-UVTDQMKNSA-N 0 1 324.380 3.762 20 5 DHBDMN CC(C)N(CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000159834738 1035095351 /nfs/dbraw/zinc/09/53/51/1035095351.db2.gz AABSBSOSUVNZDP-UHFFFAOYSA-N 0 1 311.432 3.566 20 5 DHBDMN Cc1cc([C@H]2CCCCN2Cc2cccc([N+](=O)[O-])c2C)n[nH]1 ZINC001176484198 1035277921 /nfs/dbraw/zinc/27/79/21/1035277921.db2.gz BUVJUFDVJNOJFG-QGZVFWFLSA-N 0 1 314.389 3.662 20 5 DHBDMN O=[N+]([O-])c1ccc(OCCNCc2ccc(F)cc2Cl)cc1 ZINC001177683528 1035386971 /nfs/dbraw/zinc/38/69/71/1035386971.db2.gz IESUVZGEKKHEIQ-UHFFFAOYSA-N 0 1 324.739 3.556 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000924798327 1035410445 /nfs/dbraw/zinc/41/04/45/1035410445.db2.gz MJZCLLDGAQDOMV-NEPJUHHUSA-N 0 1 314.341 3.735 20 5 DHBDMN COc1ccnc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)c1 ZINC001178386552 1035425191 /nfs/dbraw/zinc/42/51/91/1035425191.db2.gz CSSWZRYTBWNHCZ-UHFFFAOYSA-N 0 1 301.346 3.734 20 5 DHBDMN COCCN(Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000485147358 1035478922 /nfs/dbraw/zinc/47/89/22/1035478922.db2.gz ZOLLTWMMRUAFTR-AWEZNQCLSA-N 0 1 322.380 3.539 20 5 DHBDMN C[C@@H]1CSCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000539840671 1035905296 /nfs/dbraw/zinc/90/52/96/1035905296.db2.gz JLKXAHKTFVWNMA-GFCCVEGCSA-N 0 1 318.398 3.792 20 5 DHBDMN Cc1cccc(OCCN(C)[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000487681299 1036709741 /nfs/dbraw/zinc/70/97/41/1036709741.db2.gz YMGABLXDHFRZMZ-OAHLLOKOSA-N 0 1 314.385 3.975 20 5 DHBDMN C[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252477 1036986721 /nfs/dbraw/zinc/98/67/21/1036986721.db2.gz VOUHIHLMZRSOHC-MAQMMGONSA-N 0 1 304.365 3.602 20 5 DHBDMN CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774903864 1037196030 /nfs/dbraw/zinc/19/60/30/1037196030.db2.gz ALRZYGQEBMYCJX-GFCCVEGCSA-N 0 1 307.350 3.515 20 5 DHBDMN Cc1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)c([N+](=O)[O-])s1 ZINC001186267873 1037350800 /nfs/dbraw/zinc/35/08/00/1037350800.db2.gz YNQQHBCOWHVVLN-UHFFFAOYSA-N 0 1 308.407 3.622 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc2cncn2c1 ZINC001186661812 1037463655 /nfs/dbraw/zinc/46/36/55/1037463655.db2.gz MIBSZXBXADVJOO-UHFFFAOYSA-N 0 1 302.721 3.508 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(C[C@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000490545010 1037730293 /nfs/dbraw/zinc/73/02/93/1037730293.db2.gz MWXTZXMKDKSYOO-MRXNPFEDSA-N 0 1 322.380 3.658 20 5 DHBDMN COc1cc(CN2CCC3(CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000586783449 1037967258 /nfs/dbraw/zinc/96/72/58/1037967258.db2.gz SLYJILHTNRLLHV-UHFFFAOYSA-N 0 1 308.353 3.509 20 5 DHBDMN CC[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000917059912 1038145025 /nfs/dbraw/zinc/14/50/25/1038145025.db2.gz RIZLHPHBXFBIDY-UHFFFAOYSA-N 0 1 302.349 3.799 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC(Cc2ccsc2)C1 ZINC000598679106 1038820134 /nfs/dbraw/zinc/82/01/34/1038820134.db2.gz XIUZQBXXWKLWKE-HWKANZROSA-N 0 1 314.410 3.844 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H](c1ccccn1)C1CCC1 ZINC000598993781 1038985551 /nfs/dbraw/zinc/98/55/51/1038985551.db2.gz OMACJWQCQYYFNA-SFHVURJKSA-N 0 1 311.385 3.929 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cccnc2C)cc1[N+](=O)[O-] ZINC000599072800 1039028238 /nfs/dbraw/zinc/02/82/38/1039028238.db2.gz IQWVGKNGLNDGJU-GFCCVEGCSA-N 0 1 315.373 3.548 20 5 DHBDMN Cc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)CC2CC2)cn1 ZINC000592145510 1039137203 /nfs/dbraw/zinc/13/72/03/1039137203.db2.gz UANZSFZMRUFSGZ-UHFFFAOYSA-N 0 1 311.385 3.710 20 5 DHBDMN COc1c(C)cccc1CNCc1ccc([N+](=O)[O-])cc1C ZINC000594518053 1039823467 /nfs/dbraw/zinc/82/34/67/1039823467.db2.gz BNEWXVBECLEMNP-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC3(CCCC3)O2)c(Cl)c1 ZINC000594523134 1039829033 /nfs/dbraw/zinc/82/90/33/1039829033.db2.gz OAEUGVMVGZAHNE-AWEZNQCLSA-N 0 1 324.808 3.830 20 5 DHBDMN Nc1ccc2c(c1)CC[C@H]2NCc1ccc([N+](=O)[O-])cc1Cl ZINC000594738856 1039902404 /nfs/dbraw/zinc/90/24/04/1039902404.db2.gz IDDBPBJLHZOADR-MRXNPFEDSA-N 0 1 317.776 3.608 20 5 DHBDMN CC1(C)C[C@]1(C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000594996438 1040011238 /nfs/dbraw/zinc/01/12/38/1040011238.db2.gz NIQSLXVFAKRYJB-INIZCTEOSA-N 0 1 317.414 3.997 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1(C(F)(F)F)CC1 ZINC000595048802 1040050661 /nfs/dbraw/zinc/05/06/61/1040050661.db2.gz JTVDTDZSNYBIKF-VIFPVBQESA-N 0 1 318.295 3.597 20 5 DHBDMN CC[C@H](N[C@@H](c1ccccc1)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102477 1040066323 /nfs/dbraw/zinc/06/63/23/1040066323.db2.gz INKCWYHGIWPJKC-JEBQAFNWSA-N 0 1 314.385 3.758 20 5 DHBDMN Cc1noc(CN(C)[C@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539398 1040168806 /nfs/dbraw/zinc/16/88/06/1040168806.db2.gz LZIPYNLLYARWIT-CABCVRRESA-N 0 1 315.373 3.659 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595787653 1040256394 /nfs/dbraw/zinc/25/63/94/1040256394.db2.gz FQSRPGYBVJXGIT-DYVFJYSZSA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1ccc([C@H](CNc2ccc([N+](=O)[O-])s2)N2CCCC2)o1 ZINC000608779063 1040611505 /nfs/dbraw/zinc/61/15/05/1040611505.db2.gz CHDCQOFWGGPCBF-LBPRGKRZSA-N 0 1 321.402 3.807 20 5 DHBDMN O=C1[C@@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cc1Cl ZINC000601940767 1040839573 /nfs/dbraw/zinc/83/95/73/1040839573.db2.gz RRWWXTADEHPTFS-SNVBAGLBSA-N 0 1 307.737 3.531 20 5 DHBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1Cl)CCCCC2 ZINC000601940767 1040839584 /nfs/dbraw/zinc/83/95/84/1040839584.db2.gz RRWWXTADEHPTFS-SNVBAGLBSA-N 0 1 307.737 3.531 20 5 DHBDMN CC[C@H](C)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602438585 1041032118 /nfs/dbraw/zinc/03/21/18/1041032118.db2.gz FXAAJCJGGRIJPH-ZETCQYMHSA-N 0 1 307.213 3.649 20 5 DHBDMN COc1cccc(C)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000602633955 1041136879 /nfs/dbraw/zinc/13/68/79/1041136879.db2.gz MWVFLSSOAMNHRY-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN Cc1ccnc(NCc2nc3cc([N+](=O)[O-])ccc3o2)c1C1CC1 ZINC000602710766 1041172364 /nfs/dbraw/zinc/17/23/64/1041172364.db2.gz YVJJXWKRIZTWBR-UHFFFAOYSA-N 0 1 324.340 3.929 20 5 DHBDMN O=[N+]([O-])c1sc(CNCC2=CCCC2)cc1Br ZINC000602717926 1041176353 /nfs/dbraw/zinc/17/63/53/1041176353.db2.gz KTULACGACAWDIK-UHFFFAOYSA-N 0 1 317.208 3.619 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC(c3ccc(F)cn3)CC2)c1 ZINC000602904853 1041304047 /nfs/dbraw/zinc/30/40/47/1041304047.db2.gz PPMDZOLRBPTYNS-UHFFFAOYSA-N 0 1 315.348 3.509 20 5 DHBDMN COc1cc(CNC(C)(C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000274344244 130227468 /nfs/dbraw/zinc/22/74/68/130227468.db2.gz VBPVDPLRVUTHKH-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289484381 131389990 /nfs/dbraw/zinc/38/99/90/131389990.db2.gz IOROJLZPPYOOGI-XOKHGSTOSA-N 0 1 316.401 3.689 20 5 DHBDMN Cc1cc(Nc2nc(C)cc(C)c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000541331672 435644061 /nfs/dbraw/zinc/64/40/61/435644061.db2.gz KODGHYMCZCHXOH-GFCCVEGCSA-N 0 1 315.377 3.826 20 5 DHBDMN CC[C@H](NCc1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000090224765 331822575 /nfs/dbraw/zinc/82/25/75/331822575.db2.gz UFDLWIQWBDWSRV-HNNXBMFYSA-N 0 1 314.341 3.564 20 5 DHBDMN Cc1c(CNCc2cnc(C3CC3)s2)cccc1[N+](=O)[O-] ZINC000569640803 332597522 /nfs/dbraw/zinc/59/75/22/332597522.db2.gz HPOVCNLHHURORF-UHFFFAOYSA-N 0 1 303.387 3.527 20 5 DHBDMN COc1ccc(CN2CCCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000498904495 333312467 /nfs/dbraw/zinc/31/24/67/333312467.db2.gz ITQPPJIZZLJTBR-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN CO[C@@](C)([C@H](C)NCc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000411963925 333717223 /nfs/dbraw/zinc/71/72/23/333717223.db2.gz CRLUZZRGHVPHDF-BONVTDFDSA-N 0 1 312.797 3.541 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccccc1C ZINC000430218534 333997487 /nfs/dbraw/zinc/99/74/87/333997487.db2.gz MIPBKRMKTPNWGN-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN C/C(=C\c1nc([C@@H](N)CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624468 334045652 /nfs/dbraw/zinc/04/56/52/334045652.db2.gz VNRILOMPIUBMRQ-MARXPDLDSA-N 0 1 316.361 3.584 20 5 DHBDMN Cc1c2ccccc2n(C)c1CNCc1ccccc1[N+](=O)[O-] ZINC000323740602 334272504 /nfs/dbraw/zinc/27/25/04/334272504.db2.gz RAZSQPUBUFIYND-UHFFFAOYSA-N 0 1 309.369 3.685 20 5 DHBDMN Cc1nc([C@@H](C)Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000343947749 335207156 /nfs/dbraw/zinc/20/71/56/335207156.db2.gz MNHMDRXXLCNBIX-RXMQYKEDSA-N 0 1 316.148 3.501 20 5 DHBDMN CC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638198 335600821 /nfs/dbraw/zinc/60/08/21/335600821.db2.gz DZVCXPWDRGHDIC-MLGOLLRUSA-N 0 1 315.373 3.800 20 5 DHBDMN COc1ccc(CNCc2ccc(SC)s2)cc1[N+](=O)[O-] ZINC000352833492 336270813 /nfs/dbraw/zinc/27/08/13/336270813.db2.gz IBJSAXDIKKCKNE-UHFFFAOYSA-N 0 1 324.427 3.677 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](c1cccnc1)C1CC1 ZINC000527074580 336282743 /nfs/dbraw/zinc/28/27/43/336282743.db2.gz URENYNJASSFZKD-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2c(Cl)cccc2C1 ZINC000353564392 336425361 /nfs/dbraw/zinc/42/53/61/336425361.db2.gz CFGWNJKIAINVOM-UHFFFAOYSA-N 0 1 318.760 3.512 20 5 DHBDMN CC[C@@H](N[C@@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376787 336627191 /nfs/dbraw/zinc/62/71/91/336627191.db2.gz HYRIIYYXPBAMQP-CABCVRRESA-N 0 1 320.414 3.739 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCOc3c(F)cccc32)cc1[N+](=O)[O-] ZINC000372896338 336942248 /nfs/dbraw/zinc/94/22/48/336942248.db2.gz BRFHLDINTRMBMV-OAHLLOKOSA-N 0 1 316.332 3.656 20 5 DHBDMN C[C@H](N[C@@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000375345887 337008721 /nfs/dbraw/zinc/00/87/21/337008721.db2.gz VVANQNYSMLLZNJ-MEDUHNTESA-N 0 1 316.332 3.908 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(F)(F)[C@H](C)C1 ZINC000582877417 337209757 /nfs/dbraw/zinc/20/97/57/337209757.db2.gz OBLWUTPFODPYFW-YQCJOKCJSA-N 0 1 310.344 3.975 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCOc3c(C)cccc32)cc1[N+](=O)[O-] ZINC000188878508 337275971 /nfs/dbraw/zinc/27/59/71/337275971.db2.gz VUFXCLDSYYPNOB-MRXNPFEDSA-N 0 1 312.369 3.825 20 5 DHBDMN C[C@@H](C(=O)Nc1cccc(Cl)c1O)c1cccc([N+](=O)[O-])c1 ZINC000516529928 338013525 /nfs/dbraw/zinc/01/35/25/338013525.db2.gz KLAXPHUMZRKKPE-SECBINFHSA-N 0 1 320.732 3.696 20 5 DHBDMN CN(C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])c1ccco1 ZINC000432311844 338152733 /nfs/dbraw/zinc/15/27/33/338152733.db2.gz HKOACSCOLDLFAP-GFCCVEGCSA-N 0 1 309.753 3.556 20 5 DHBDMN CC(C)c1ccc(C(=O)Nc2ccc3nc[nH]c3c2)cc1[N+](=O)[O-] ZINC000439474844 338370824 /nfs/dbraw/zinc/37/08/24/338370824.db2.gz XKGUAHBFMVAFND-UHFFFAOYSA-N 0 1 324.340 3.847 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2c(F)cccc21 ZINC000449350588 338616578 /nfs/dbraw/zinc/61/65/78/338616578.db2.gz MKAGMCJSMHNXMW-INIZCTEOSA-N 0 1 300.333 3.901 20 5 DHBDMN CCCc1ncc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)o1 ZINC000449610434 338640667 /nfs/dbraw/zinc/64/06/67/338640667.db2.gz GNSQLMDTKOZUAT-JYRVWZFOSA-N 0 1 315.373 3.728 20 5 DHBDMN COc1cc(CN2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000463470908 339118958 /nfs/dbraw/zinc/11/89/58/339118958.db2.gz UEMSHJCDWYVCBR-SWLSCSKDSA-N 0 1 322.380 3.897 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470949204 339332438 /nfs/dbraw/zinc/33/24/38/339332438.db2.gz WBPZSNDJOSTFHS-BREBYQMCSA-N 0 1 302.296 3.929 20 5 DHBDMN CCc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)cc1[N+](=O)[O-] ZINC000471670956 339350526 /nfs/dbraw/zinc/35/05/26/339350526.db2.gz UOJYWZPSXGCFTK-UHFFFAOYSA-N 0 1 324.340 3.594 20 5 DHBDMN Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507132323 340208803 /nfs/dbraw/zinc/20/88/03/340208803.db2.gz QSGPJCQALWOIHA-KRWDZBQOSA-N 0 1 312.369 3.946 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CSc2ccccc21 ZINC000542707209 341018446 /nfs/dbraw/zinc/01/84/46/341018446.db2.gz VMAOQXGARRYELL-OAHLLOKOSA-N 0 1 300.383 3.840 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000071959363 341055757 /nfs/dbraw/zinc/05/57/57/341055757.db2.gz BHDQIRPKPINTQR-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN(C[C@@H]1CCCO1)C1CCCC1 ZINC000075831255 341184974 /nfs/dbraw/zinc/18/49/74/341184974.db2.gz XGJJAERVWACGRZ-AWEZNQCLSA-N 0 1 322.380 3.658 20 5 DHBDMN COc1cc(CN2CCC=C(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000551707391 341349568 /nfs/dbraw/zinc/34/95/68/341349568.db2.gz HAUOVFDCUSYWBK-UHFFFAOYSA-N 0 1 324.380 3.893 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1O ZINC000266804358 520731135 /nfs/dbraw/zinc/73/11/35/520731135.db2.gz SSZAKUAEWYGJJM-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN O=[N+]([O-])c1c(F)cccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000049980464 1014045442 /nfs/dbraw/zinc/04/54/42/1014045442.db2.gz YKXDCOZXRKOKII-AWEZNQCLSA-N 0 1 319.336 3.576 20 5 DHBDMN CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593736876 974985411 /nfs/dbraw/zinc/98/54/11/974985411.db2.gz BUIDNKSGYCVSKE-HNNXBMFYSA-N 0 1 320.389 3.694 20 5 DHBDMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521221436 1014669722 /nfs/dbraw/zinc/66/97/22/1014669722.db2.gz DOGOSLWWMJAJIN-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN Cn1cnc([N+](=O)[O-])c1CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000341601727 1015582534 /nfs/dbraw/zinc/58/25/34/1015582534.db2.gz WVIMBGUXHAPANC-AWEZNQCLSA-N 0 1 316.405 3.595 20 5 DHBDMN Cc1ccccc1[C@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000341925456 1015850460 /nfs/dbraw/zinc/85/04/60/1015850460.db2.gz DOLBJSAYIONBEC-HNNXBMFYSA-N 0 1 316.405 3.514 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](OC(F)F)C1 ZINC000611579707 1016458998 /nfs/dbraw/zinc/45/89/98/1016458998.db2.gz NRIXTWXRFQJGAR-AAEUAGOBSA-N 0 1 314.332 3.668 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1 ZINC000072555595 1016555309 /nfs/dbraw/zinc/55/53/09/1016555309.db2.gz AFGSOGQXSDONKJ-CQSZACIVSA-N 0 1 300.358 3.667 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](CC(F)(F)F)C1 ZINC000582340053 1016599594 /nfs/dbraw/zinc/59/95/94/1016599594.db2.gz ANFQAIBVOWXCJX-FHMRSRPSSA-N 0 1 314.307 3.882 20 5 DHBDMN CC1(C)Cc2occc2[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000089513418 1032152009 /nfs/dbraw/zinc/15/20/09/1032152009.db2.gz KFFBZAKGDBBBAP-OAHLLOKOSA-N 0 1 300.358 3.991 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](Cc2ccccc2)C1 ZINC000610214984 1012423769 /nfs/dbraw/zinc/42/37/69/1012423769.db2.gz GXEVZIVCHWFJOQ-HNNXBMFYSA-N 0 1 314.360 3.799 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]3F)o2)cc1 ZINC000515676963 1012694531 /nfs/dbraw/zinc/69/45/31/1012694531.db2.gz DGAOPYZJBMGZRR-LSDHHAIUSA-N 0 1 304.321 3.835 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000475271327 1017111294 /nfs/dbraw/zinc/11/12/94/1017111294.db2.gz CLUHHHASYFDDPY-GWCFXTLKSA-N 0 1 302.296 3.676 20 5 DHBDMN CC[C@@H](Nc1cnn(-c2ccncc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000611480934 1017216362 /nfs/dbraw/zinc/21/63/62/1017216362.db2.gz WTNQIFYAGQMOBO-QGZVFWFLSA-N 0 1 323.356 3.739 20 5 DHBDMN CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CCC1 ZINC000475578008 1017460941 /nfs/dbraw/zinc/46/09/41/1017460941.db2.gz KOMLZDSBCSOHBW-UHFFFAOYSA-N 0 1 314.332 3.818 20 5 DHBDMN Cc1cccc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000444686030 1017615314 /nfs/dbraw/zinc/61/53/14/1017615314.db2.gz UJASOCLBLXATPZ-CYBMUJFWSA-N 0 1 324.384 3.939 20 5 DHBDMN Cc1cccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1C ZINC000444686031 1017616346 /nfs/dbraw/zinc/61/63/46/1017616346.db2.gz UJASOCLBLXATPZ-ZDUSSCGKSA-N 0 1 324.384 3.939 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000083213187 1017638508 /nfs/dbraw/zinc/63/85/08/1017638508.db2.gz AQNUDDXRQQGNAJ-FZMZJTMJSA-N 0 1 301.346 3.501 20 5 DHBDMN Cc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000444732301 1017646638 /nfs/dbraw/zinc/64/66/38/1017646638.db2.gz IMDTYKWZLWTCGH-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN Cc1cc(CN(C)Cc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000444732301 1017646641 /nfs/dbraw/zinc/64/66/41/1017646641.db2.gz IMDTYKWZLWTCGH-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN COCCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000349974074 1018851049 /nfs/dbraw/zinc/85/10/49/1018851049.db2.gz LMQYHAPKZTUQOD-UHFFFAOYSA-N 0 1 320.414 3.613 20 5 DHBDMN COc1cc(CN2CCC(C)(C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000584141601 1018978427 /nfs/dbraw/zinc/97/84/27/1018978427.db2.gz GKICPEJUAMOPNI-UHFFFAOYSA-N 0 1 322.380 3.755 20 5 DHBDMN CCC[C@H](NC[C@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010206 1032817841 /nfs/dbraw/zinc/81/78/41/1032817841.db2.gz YMHKYMKHZGITPU-STQMWFEESA-N 0 1 320.311 3.603 20 5 DHBDMN CCc1ccc([C@@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844000 1019419444 /nfs/dbraw/zinc/41/94/44/1019419444.db2.gz NACFIFMWBLMXIM-SCLBCKFNSA-N 0 1 314.385 3.541 20 5 DHBDMN C[C@H](c1ccco1)N(Cc1cc(O)ccc1[N+](=O)[O-])C1CC1 ZINC000092483272 1019514829 /nfs/dbraw/zinc/51/48/29/1019514829.db2.gz LUHFMEQTZXSOBW-LLVKDONJSA-N 0 1 302.330 3.619 20 5 DHBDMN CC[C@@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000727822869 1019824486 /nfs/dbraw/zinc/82/44/86/1019824486.db2.gz DFUQKWRDQKUVMK-SNVBAGLBSA-N 0 1 307.375 3.704 20 5 DHBDMN COc1cc(C)ccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000315617597 1019851255 /nfs/dbraw/zinc/85/12/55/1019851255.db2.gz RYDSVJRJGGGWQA-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cnc1Cl ZINC000922537866 1020118273 /nfs/dbraw/zinc/11/82/73/1020118273.db2.gz LQBOSIAGKHDYIM-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H](c2ccccn2)C2CC2)ccc1Cl ZINC000922585140 1020143851 /nfs/dbraw/zinc/14/38/51/1020143851.db2.gz IQHLONPUGFBWPU-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN Cc1ccc(CN(C)[C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000093315548 1020146098 /nfs/dbraw/zinc/14/60/98/1020146098.db2.gz CJVGCFNVSYNNAX-ZDUSSCGKSA-N 0 1 300.358 3.802 20 5 DHBDMN Cc1cccc([C@@H]2CCCN2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000093445085 1020152319 /nfs/dbraw/zinc/15/23/19/1020152319.db2.gz CJXVVDXTPFSAER-KRWDZBQOSA-N 0 1 311.385 3.944 20 5 DHBDMN Cc1ccc(OCCN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000487546549 1032885059 /nfs/dbraw/zinc/88/50/59/1032885059.db2.gz DBEGYPLWJZNXSF-HNNXBMFYSA-N 0 1 314.385 3.975 20 5 DHBDMN COc1ccc([C@H](C)[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000338885602 1020313168 /nfs/dbraw/zinc/31/31/68/1020313168.db2.gz ARYMYWXDHXDSDU-LBPRGKRZSA-N 0 1 316.357 3.502 20 5 DHBDMN COc1ccc([C@H](C)[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000338885602 1020313180 /nfs/dbraw/zinc/31/31/80/1020313180.db2.gz ARYMYWXDHXDSDU-LBPRGKRZSA-N 0 1 316.357 3.502 20 5 DHBDMN COc1cc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631182 1020356013 /nfs/dbraw/zinc/35/60/13/1020356013.db2.gz BERUDVSMNGUNOT-STQMWFEESA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1cc(N[C@@H]2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000125929650 1020362785 /nfs/dbraw/zinc/36/27/85/1020362785.db2.gz ODZINKYAHKFHOE-GFCCVEGCSA-N 0 1 315.373 3.821 20 5 DHBDMN Cc1cc(NCC2(O)CCCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302215315 1020419642 /nfs/dbraw/zinc/41/96/42/1020419642.db2.gz ZYMPZJOTAGTLFJ-UHFFFAOYSA-N 0 1 315.373 3.559 20 5 DHBDMN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1O ZINC000179722974 1020435944 /nfs/dbraw/zinc/43/59/44/1020435944.db2.gz UTJHBXSLYUFQPP-RMKNXTFCSA-N 0 1 318.716 3.606 20 5 DHBDMN C[C@H](NCc1cccc(Cl)c1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC001117751345 1020589823 /nfs/dbraw/zinc/58/98/23/1020589823.db2.gz QSSBELSEYBVACI-VIFPVBQESA-N 0 1 323.755 3.820 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000580802737 1020861650 /nfs/dbraw/zinc/86/16/50/1020861650.db2.gz OYXZRLTZQHDGRC-RRQGHBQHSA-N 0 1 318.417 3.854 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568496 1021426006 /nfs/dbraw/zinc/42/60/06/1021426006.db2.gz XKHFJNOYTWPHJM-HWPZZCPQSA-N 0 1 315.373 3.928 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCOC2(CCCCC2)C1 ZINC000556888143 1021932056 /nfs/dbraw/zinc/93/20/56/1021932056.db2.gz ZFLDWKXTUWJXSE-SOFGYWHQSA-N 0 1 316.401 3.643 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]1Cc1ccccc1 ZINC000752313928 1022125224 /nfs/dbraw/zinc/12/52/24/1022125224.db2.gz JGXCPJVJHBANTD-INIZCTEOSA-N 0 1 300.333 3.551 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852598748 1022148260 /nfs/dbraw/zinc/14/82/60/1022148260.db2.gz YNXOJINPNQGFSP-DYVFJYSZSA-N 0 1 322.380 3.515 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 ZINC000183562653 1022179598 /nfs/dbraw/zinc/17/95/98/1022179598.db2.gz PPLKTRRGMQPMDF-AWEZNQCLSA-N 0 1 322.368 3.631 20 5 DHBDMN CCO[C@@H]1C[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453600 1022290799 /nfs/dbraw/zinc/29/07/99/1022290799.db2.gz PMQAWMMXZNEKEC-JKSUJKDBSA-N 0 1 322.380 3.513 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCS[C@H](c3ccccc3)C2)c1 ZINC000609800771 1022352103 /nfs/dbraw/zinc/35/21/03/1022352103.db2.gz SCNZCSYOUUONKF-KRWDZBQOSA-N 0 1 314.410 3.885 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCC3(CCC3)C2)c1 ZINC000339018237 1033101111 /nfs/dbraw/zinc/10/11/11/1033101111.db2.gz TZFOIKVJZOPMRS-UHFFFAOYSA-N 0 1 314.307 3.990 20 5 DHBDMN CC[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000770306527 1023295374 /nfs/dbraw/zinc/29/53/74/1023295374.db2.gz YFRXDEMENZUEKS-SNVBAGLBSA-N 0 1 313.195 3.589 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2cccs2)cc1[N+](=O)[O-] ZINC000051501875 1024218458 /nfs/dbraw/zinc/21/84/58/1024218458.db2.gz HEJIIPIIAMOATE-LLVKDONJSA-N 0 1 306.387 3.858 20 5 DHBDMN Nc1ccc2cc3ccc(Nc4cccc(=O)[nH]4)cc3nc2c1 ZINC001212792361 1024273256 /nfs/dbraw/zinc/27/32/56/1024273256.db2.gz OVOJMTYJCQFSMC-UHFFFAOYSA-N 0 1 302.337 3.814 20 5 DHBDMN CC[C@@H](N[C@@H](CO)c1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000531738045 1024290472 /nfs/dbraw/zinc/29/04/72/1024290472.db2.gz GJMIZFGBIWKCQJ-MSOLQXFVSA-N 0 1 314.385 3.678 20 5 DHBDMN Cc1c(CN[C@H](C)c2ccnc(Cl)c2)cccc1[N+](=O)[O-] ZINC000790695317 1024357473 /nfs/dbraw/zinc/35/74/73/1024357473.db2.gz NHPBMPOXRWVGFE-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000271594819 1024547443 /nfs/dbraw/zinc/54/74/43/1024547443.db2.gz YSCLNHSRUPBFCN-RYUDHWBXSA-N 0 1 317.393 3.557 20 5 DHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CC1(C)C ZINC000339134376 1024574223 /nfs/dbraw/zinc/57/42/23/1024574223.db2.gz VGBUFKZRVYFGNG-LBPRGKRZSA-N 0 1 302.296 3.844 20 5 DHBDMN CSc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339157210 1024576526 /nfs/dbraw/zinc/57/65/26/1024576526.db2.gz XRHYSMZYLYFKFR-NSHDSACASA-N 0 1 318.398 3.873 20 5 DHBDMN Cc1nc(C)c([C@@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000106877009 1024606569 /nfs/dbraw/zinc/60/65/69/1024606569.db2.gz XEYTXZHDBZJUKC-LLVKDONJSA-N 0 1 305.403 3.861 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793340567 1024984334 /nfs/dbraw/zinc/98/43/34/1024984334.db2.gz QRCMBJJVDYNCFT-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000793351209 1025021636 /nfs/dbraw/zinc/02/16/36/1025021636.db2.gz HERMLTBBZBBJCS-CYBMUJFWSA-N 0 1 307.350 3.514 20 5 DHBDMN COc1ccc([C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000015300583 1025373336 /nfs/dbraw/zinc/37/33/36/1025373336.db2.gz CLNLWJMNBAZNEX-KRWDZBQOSA-N 0 1 312.369 3.941 20 5 DHBDMN CC[C@H](NCc1cccnc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000886107478 1025509402 /nfs/dbraw/zinc/50/94/02/1025509402.db2.gz RZSUYOQRQNOQNV-AWEZNQCLSA-N 0 1 305.765 3.884 20 5 DHBDMN Cc1cc([C@@H](NCc2cccnc2[N+](=O)[O-])C2CC2)ccc1F ZINC000886116161 1025513082 /nfs/dbraw/zinc/51/30/82/1025513082.db2.gz BOOHLKPYDATYHM-INIZCTEOSA-N 0 1 315.348 3.678 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H](SC)C1 ZINC000355220483 1025645916 /nfs/dbraw/zinc/64/59/16/1025645916.db2.gz LHXDBQWUMRKBST-OAHLLOKOSA-N 0 1 324.446 3.711 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@H]1CCc2c1cccc2F ZINC000886924350 1025980434 /nfs/dbraw/zinc/98/04/34/1025980434.db2.gz XEVQJBHQHNAUGG-HNNXBMFYSA-N 0 1 304.296 3.650 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000089513251 1026052027 /nfs/dbraw/zinc/05/20/27/1026052027.db2.gz GAPFPMPHBVZDGE-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289640439 1026110945 /nfs/dbraw/zinc/11/09/45/1026110945.db2.gz FOLGJPBOHMPOJX-DAXOMENPSA-N 0 1 304.390 3.545 20 5 DHBDMN CO[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000366477641 1026767911 /nfs/dbraw/zinc/76/79/11/1026767911.db2.gz OCVBGGOIBGKAPT-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000366477641 1026767920 /nfs/dbraw/zinc/76/79/20/1026767920.db2.gz OCVBGGOIBGKAPT-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000420944727 1026886962 /nfs/dbraw/zinc/88/69/62/1026886962.db2.gz JVRYGNFIVPZKOF-GFCCVEGCSA-N 0 1 302.296 3.759 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCC(F)(F)F ZINC000811482741 1027009498 /nfs/dbraw/zinc/00/94/98/1027009498.db2.gz QONKZYVZUCVHCC-UHFFFAOYSA-N 0 1 317.094 3.944 20 5 DHBDMN Cc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812195 1027090450 /nfs/dbraw/zinc/09/04/50/1027090450.db2.gz OFERYRMZHDYSHT-WDEREUQCSA-N 0 1 309.797 3.594 20 5 DHBDMN Cc1[nH]ncc1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844296 1027127499 /nfs/dbraw/zinc/12/74/99/1027127499.db2.gz ZAGOKJLANMDBOP-UHFFFAOYSA-N 0 1 301.133 3.545 20 5 DHBDMN Cc1ccc(F)c(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000572047748 1027166260 /nfs/dbraw/zinc/16/62/60/1027166260.db2.gz USEUWZLBFIOGKR-UHFFFAOYSA-N 0 1 302.349 3.717 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000362954011 1027465060 /nfs/dbraw/zinc/46/50/60/1027465060.db2.gz FRILZRZSEJASMG-GXSJLCMTSA-N 0 1 303.366 3.708 20 5 DHBDMN C[C@H](NCc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449094484 1028367705 /nfs/dbraw/zinc/36/77/05/1028367705.db2.gz ZPNGXRCNMGTOLR-ZDUSSCGKSA-N 0 1 314.389 3.757 20 5 DHBDMN C[C@H](NCc1ccc([C@H]2C[C@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562069 1028544302 /nfs/dbraw/zinc/54/43/02/1028544302.db2.gz WGPJWQUZDCMNNG-SUNKGSAMSA-N 0 1 315.373 3.744 20 5 DHBDMN CS[C@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000687927379 1028751457 /nfs/dbraw/zinc/75/14/57/1028751457.db2.gz WGAAMRLKFMISKX-ZDUSSCGKSA-N 0 1 314.838 3.966 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccc(F)cn3)C2)cc1 ZINC000451552089 1029912973 /nfs/dbraw/zinc/91/29/73/1029912973.db2.gz VLTQQOFISDBVBE-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ccc(CNCc2cnc(C(C)(C)C)s2)cc1[N+](=O)[O-] ZINC000865786327 1030024546 /nfs/dbraw/zinc/02/45/46/1030024546.db2.gz KMVMOOIHSGLDKL-UHFFFAOYSA-N 0 1 319.430 3.947 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796326 1030191356 /nfs/dbraw/zinc/19/13/56/1030191356.db2.gz BKOKBMXOFCDLEG-SWLSCSKDSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000866540181 1030359047 /nfs/dbraw/zinc/35/90/47/1030359047.db2.gz KJVQBAAUIVSHQP-CQSZACIVSA-N 0 1 313.401 3.820 20 5 DHBDMN Cc1ccc(CN[C@H]2CCCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000866539994 1030359121 /nfs/dbraw/zinc/35/91/21/1030359121.db2.gz IYPLEHCURPSDAZ-KRWDZBQOSA-N 0 1 312.369 3.776 20 5 DHBDMN COc1ccsc1[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000866539990 1030359187 /nfs/dbraw/zinc/35/91/87/1030359187.db2.gz IWAFRBOSLWVXHH-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN C[C@@H](N[C@@H](C)C1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000925691889 1030456267 /nfs/dbraw/zinc/45/62/67/1030456267.db2.gz KPDFMQQFQOCDRZ-ZJUUUORDSA-N 0 1 313.195 3.561 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1F ZINC000291626350 1030575920 /nfs/dbraw/zinc/57/59/20/1030575920.db2.gz AAESJOVFRZNVIC-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN COCc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc1 ZINC000291656232 1030584233 /nfs/dbraw/zinc/58/42/33/1030584233.db2.gz DMYVIQODMXXWSB-UHFFFAOYSA-N 0 1 314.385 3.766 20 5 DHBDMN O=[N+]([O-])c1cc(CNc2ccc3c(n2)CCC3)ccc1Cl ZINC000825124658 1030729711 /nfs/dbraw/zinc/72/97/11/1030729711.db2.gz VKQNQKVYIGIAKJ-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN Cc1cnc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000926961059 1031018412 /nfs/dbraw/zinc/01/84/12/1031018412.db2.gz SUKPLLUOTLGOIC-QGZVFWFLSA-N 0 1 311.385 3.774 20 5 DHBDMN C[C@H](NCCCOC1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872027101 1031412501 /nfs/dbraw/zinc/41/25/01/1031412501.db2.gz BWVGODGTDFWLCP-LBPRGKRZSA-N 0 1 310.369 3.734 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1scnc1C ZINC000872032860 1031417608 /nfs/dbraw/zinc/41/76/08/1031417608.db2.gz BENKSNIQTQVYTR-SECBINFHSA-N 0 1 323.443 3.932 20 5 DHBDMN Cc1noc(C)c1C[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038675 1031422489 /nfs/dbraw/zinc/42/24/89/1031422489.db2.gz ORXZWRBDZCGDNC-MWLCHTKSSA-N 0 1 321.352 3.621 20 5 DHBDMN C[C@H](CN[C@H](C)c1c(F)cccc1[N+](=O)[O-])c1nccs1 ZINC000872061117 1031453985 /nfs/dbraw/zinc/45/39/85/1031453985.db2.gz BUOAEKWERCHHKP-NXEZZACHSA-N 0 1 309.366 3.645 20 5 DHBDMN C[C@H](NCC1(C(F)(F)F)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872071688 1031467163 /nfs/dbraw/zinc/46/71/63/1031467163.db2.gz VIRZCBAXJYVAIZ-QMMMGPOBSA-N 0 1 306.259 3.727 20 5 DHBDMN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000872073851 1031469694 /nfs/dbraw/zinc/46/96/94/1031469694.db2.gz WBUSXUHJYXSLCN-JKDFXYPNSA-N 0 1 318.348 3.507 20 5 DHBDMN CC[C@@H](COCC1CC1)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083483 1031478802 /nfs/dbraw/zinc/47/88/02/1031478802.db2.gz BMUTXYOIEAXVHE-YPMHNXCESA-N 0 1 310.369 3.590 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@]2(CC2(F)F)C1 ZINC000846109770 1031860978 /nfs/dbraw/zinc/86/09/78/1031860978.db2.gz VNDUYDDLZYKSEL-YFCVBGDOSA-N 0 1 308.328 3.729 20 5 DHBDMN C[C@@H]1CCC[N@@H+](Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777954784 1032040494 /nfs/dbraw/zinc/04/04/94/1032040494.db2.gz PXUMZDBBFHELGG-CQSZACIVSA-N 0 1 314.389 3.538 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]1c1cccnc1 ZINC000877522900 1033333318 /nfs/dbraw/zinc/33/33/18/1033333318.db2.gz DXPJGAISNGMDAG-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CC3CCC2CC3)c1F ZINC001173195452 1033586209 /nfs/dbraw/zinc/58/62/09/1033586209.db2.gz GBYAIFVYYHRZCW-PNESKVBLSA-N 0 1 322.380 3.548 20 5 DHBDMN Cc1cc([C@@H]2CCCN2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229216 1033606335 /nfs/dbraw/zinc/60/63/35/1033606335.db2.gz RPZJNGSXEIUDDN-SJCJKPOMSA-N 0 1 315.373 3.659 20 5 DHBDMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878889731 1033856186 /nfs/dbraw/zinc/85/61/86/1033856186.db2.gz GUEYFWFSKFBZIG-LLVKDONJSA-N 0 1 318.377 3.559 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178643005 1034255759 /nfs/dbraw/zinc/25/57/59/1034255759.db2.gz ZRPKQVLLNBSERV-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN Cc1c(CNc2ccc(CN(C)C)c(F)c2)cccc1[N+](=O)[O-] ZINC000864036925 1034270618 /nfs/dbraw/zinc/27/06/18/1034270618.db2.gz ITBDBDWSOHREAP-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC000555420251 1034688850 /nfs/dbraw/zinc/68/88/50/1034688850.db2.gz GLAFLUIHOZPOEM-UHFFFAOYSA-N 0 1 318.760 3.733 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000555420251 1034688859 /nfs/dbraw/zinc/68/88/59/1034688859.db2.gz GLAFLUIHOZPOEM-UHFFFAOYSA-N 0 1 318.760 3.733 20 5 DHBDMN CCC[C@H](N[C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852002 1034710395 /nfs/dbraw/zinc/71/03/95/1034710395.db2.gz OPMRAISCXKUBPN-SJCJKPOMSA-N 0 1 316.405 3.829 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC(Cc2cccs2)C1 ZINC000600214944 1034815799 /nfs/dbraw/zinc/81/57/99/1034815799.db2.gz IIMOIWOHAYVAEY-ZZXKWVIFSA-N 0 1 314.410 3.844 20 5 DHBDMN C[C@H]1[C@H](C(F)(F)F)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756520 1034962184 /nfs/dbraw/zinc/96/21/84/1034962184.db2.gz NMVGVPINYXDSMP-GXFFZTMASA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1cc(Nc2ccc(C=C[N+](=O)[O-])cc2)c2ccccc2n1 ZINC001175900331 1035155098 /nfs/dbraw/zinc/15/50/98/1035155098.db2.gz PEXIMJSGNAXCKU-ZHACJKMWSA-N 0 1 305.337 3.956 20 5 DHBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC=CCC1 ZINC000483495019 1035274882 /nfs/dbraw/zinc/27/48/82/1035274882.db2.gz XPDXIGVDTIDPRS-AWEZNQCLSA-N 0 1 322.380 3.539 20 5 DHBDMN C[C@H](NCc1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC001179578889 1035483649 /nfs/dbraw/zinc/48/36/49/1035483649.db2.gz BVMSZTYWLBZCMF-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000152735248 1035669598 /nfs/dbraw/zinc/66/95/98/1035669598.db2.gz PVKFZPCJKBXMDN-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN C[C@H]1N(Cc2c(Cl)cccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000494631805 1035749121 /nfs/dbraw/zinc/74/91/21/1035749121.db2.gz CGYYPZQCGLBZSZ-GFCCVEGCSA-N 0 1 324.808 3.639 20 5 DHBDMN C[C@H]1CC[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089907258 1035784531 /nfs/dbraw/zinc/78/45/31/1035784531.db2.gz WKVKEDDWHOLWGN-STQMWFEESA-N 0 1 315.373 3.870 20 5 DHBDMN Cc1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000539849011 1035900953 /nfs/dbraw/zinc/90/09/53/1035900953.db2.gz HNQOABOSYNHDBL-GOEBONIOSA-N 0 1 306.431 3.763 20 5 DHBDMN CO[C@@H]1C[C@@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384235 1035916247 /nfs/dbraw/zinc/91/62/47/1035916247.db2.gz JTECZFDDJRODNC-HUUCEWRRSA-N 0 1 324.808 3.638 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088905 1035920249 /nfs/dbraw/zinc/92/02/49/1035920249.db2.gz LQGXRPLTFZJYML-SJCJKPOMSA-N 0 1 312.369 3.947 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC(C4CCC4)CC3)nc2c1 ZINC000595659955 1036319086 /nfs/dbraw/zinc/31/90/86/1036319086.db2.gz OPHZELUXGUMPIC-UHFFFAOYSA-N 0 1 315.373 3.748 20 5 DHBDMN C[C@H](NCc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000486928437 1036465889 /nfs/dbraw/zinc/46/58/89/1036465889.db2.gz VHMWRLJEIHWOQV-JTQLQIEISA-N 0 1 303.387 3.780 20 5 DHBDMN CCOc1cc(CN(C)Cc2sccc2C)ccc1[N+](=O)[O-] ZINC000492374700 1036853147 /nfs/dbraw/zinc/85/31/47/1036853147.db2.gz HWJKRQCLNZAPTL-UHFFFAOYSA-N 0 1 320.414 3.995 20 5 DHBDMN CC(C)(NCC1=Cc2ccccc2OC1)c1ccccc1[N+](=O)[O-] ZINC000492418660 1036862840 /nfs/dbraw/zinc/86/28/40/1036862840.db2.gz SFWCXDMOOGQCPH-UHFFFAOYSA-N 0 1 324.380 3.896 20 5 DHBDMN CC(C)c1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000488367669 1036986768 /nfs/dbraw/zinc/98/67/68/1036986768.db2.gz PRVRMAGXNDEDMJ-CYBMUJFWSA-N 0 1 308.447 3.903 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000609234554 1037461245 /nfs/dbraw/zinc/46/12/45/1037461245.db2.gz UWFWGVCJHPHJSU-SFHVURJKSA-N 0 1 312.369 3.558 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1cccc2ccoc21 ZINC001201633440 1037799780 /nfs/dbraw/zinc/79/97/80/1037799780.db2.gz JNQSUCALGRNMAK-UHFFFAOYSA-N 0 1 312.325 3.639 20 5 DHBDMN Cc1nc2ccc(COc3ccc([N+](=O)[O-])c(F)c3F)cc2[nH]1 ZINC001189382510 1038137245 /nfs/dbraw/zinc/13/72/45/1038137245.db2.gz XFIUZXZBKJTXOE-UHFFFAOYSA-N 0 1 319.267 3.637 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(CCSC(F)(F)F)C2CC2)cc1 ZINC001192929781 1038721787 /nfs/dbraw/zinc/72/17/87/1038721787.db2.gz QURHFPNLFXWIFV-UHFFFAOYSA-N 0 1 320.336 3.812 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CNC1(c2ccccc2F)CCC1 ZINC000592144229 1039136913 /nfs/dbraw/zinc/13/69/13/1039136913.db2.gz FILOADRUFLPSAU-UHFFFAOYSA-N 0 1 316.332 3.609 20 5 DHBDMN Cc1ccc(CN(CCOc2cccc([N+](=O)[O-])c2)C2CC2)o1 ZINC000603851725 1039187106 /nfs/dbraw/zinc/18/71/06/1039187106.db2.gz XNYYVAOUMGJSJC-UHFFFAOYSA-N 0 1 316.357 3.540 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000592365265 1039376786 /nfs/dbraw/zinc/37/67/86/1039376786.db2.gz MWINANIJGOABNF-CQSZACIVSA-N 0 1 316.405 3.607 20 5 DHBDMN Cc1ccc(CN(CCOc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000604473322 1039480180 /nfs/dbraw/zinc/48/01/80/1039480180.db2.gz NRRJENANXUPZDL-UHFFFAOYSA-N 0 1 316.357 3.540 20 5 DHBDMN CC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1F ZINC000594017789 1039945692 /nfs/dbraw/zinc/94/56/92/1039945692.db2.gz NYVPQIWSTDUMES-OAHLLOKOSA-N 0 1 304.321 3.680 20 5 DHBDMN CC[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000594017789 1039945701 /nfs/dbraw/zinc/94/57/01/1039945701.db2.gz NYVPQIWSTDUMES-OAHLLOKOSA-N 0 1 304.321 3.680 20 5 DHBDMN COCc1csc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000594944435 1039956765 /nfs/dbraw/zinc/95/67/65/1039956765.db2.gz PYAWDISGVIYPJX-UHFFFAOYSA-N 0 1 320.414 3.828 20 5 DHBDMN CC[C@H](COCC1CC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000594955761 1039963646 /nfs/dbraw/zinc/96/36/46/1039963646.db2.gz DOOHHFMAKXTERK-CYBMUJFWSA-N 0 1 312.797 3.543 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCOC1CCCCC1 ZINC000595017338 1039981793 /nfs/dbraw/zinc/98/17/93/1039981793.db2.gz TYPJHQIZNHEBCZ-ZDUSSCGKSA-N 0 1 322.405 3.603 20 5 DHBDMN Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088907 1040075870 /nfs/dbraw/zinc/07/58/70/1040075870.db2.gz LQGXRPLTFZJYML-YVEFUNNKSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1noc(CN2CC[C@@H](c3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595324890 1040108634 /nfs/dbraw/zinc/10/86/34/1040108634.db2.gz CRBJREOPFBZFGH-SWLSCSKDSA-N 0 1 315.373 3.517 20 5 DHBDMN Cc1noc(CN2CC[C@H](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595438911 1040138959 /nfs/dbraw/zinc/13/89/59/1040138959.db2.gz JYTYDWCWDOIFNO-LBPRGKRZSA-N 0 1 307.394 3.684 20 5 DHBDMN C[C@@H](CNc1ccsc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000063258157 1040164592 /nfs/dbraw/zinc/16/45/92/1040164592.db2.gz JCXFFELDHRJCPT-LBPRGKRZSA-N 0 1 317.414 3.515 20 5 DHBDMN CCC(C)(C)[C@H](C)NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595638663 1040199312 /nfs/dbraw/zinc/19/93/12/1040199312.db2.gz KDFXVOGOTBGPCQ-NSHDSACASA-N 0 1 318.377 3.559 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSCc1cc(C2CC2)no1 ZINC000596412283 1040439720 /nfs/dbraw/zinc/43/97/20/1040439720.db2.gz ZIVSVJXDESKHKD-UHFFFAOYSA-N 0 1 306.343 3.599 20 5 DHBDMN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000596593782 1040504591 /nfs/dbraw/zinc/50/45/91/1040504591.db2.gz RRPWFZPZHMUHRT-QGZVFWFLSA-N 0 1 311.385 3.615 20 5 DHBDMN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])s2)N2CCCC2)o1 ZINC000608779062 1040611101 /nfs/dbraw/zinc/61/11/01/1040611101.db2.gz CHDCQOFWGGPCBF-GFCCVEGCSA-N 0 1 321.402 3.807 20 5 DHBDMN CC1(C)CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCS1 ZINC000228087481 1040641017 /nfs/dbraw/zinc/64/10/17/1040641017.db2.gz VLARRYDYCMGIDV-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1ccc(CN2CCC(c3ccco3)CC2)cc1[N+](=O)[O-] ZINC000597180720 1040681921 /nfs/dbraw/zinc/68/19/21/1040681921.db2.gz SNNHGOQGYFFLIC-UHFFFAOYSA-N 0 1 300.358 3.876 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1c1ccccn1 ZINC000534331859 1040805693 /nfs/dbraw/zinc/80/56/93/1040805693.db2.gz AZGVTRZSXPUFEC-KRZKXXONSA-N 0 1 309.369 3.840 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000491230652 1040971446 /nfs/dbraw/zinc/97/14/46/1040971446.db2.gz YLYPFSOFYIWUFO-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN CS[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602606056 1041123898 /nfs/dbraw/zinc/12/38/98/1041123898.db2.gz AJHBBEADNPYDSY-CYBMUJFWSA-N 0 1 323.418 3.603 20 5 DHBDMN Cc1ncc([C@H](C)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000602609741 1041124785 /nfs/dbraw/zinc/12/47/85/1041124785.db2.gz FQNWERAXCJHHFD-LBPRGKRZSA-N 0 1 314.389 3.588 20 5 DHBDMN CCN(Cc1ccccc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761273119 1041175660 /nfs/dbraw/zinc/17/56/60/1041175660.db2.gz MWDOSDQLECHRJB-UHFFFAOYSA-N 0 1 324.384 3.733 20 5 DHBDMN CC(C)(C)OC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092454090 185319758 /nfs/dbraw/zinc/31/97/58/185319758.db2.gz FFRQHEXXWKNPQU-SOFGYWHQSA-N 0 1 318.417 3.888 20 5 DHBDMN COCC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518818 130037605 /nfs/dbraw/zinc/03/76/05/130037605.db2.gz HLLGEQIYJSYUJT-ZFWWWQNUSA-N 0 1 318.373 3.925 20 5 DHBDMN COc1cccc(C2(NCc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 ZINC000283148415 130964408 /nfs/dbraw/zinc/96/44/08/130964408.db2.gz OJOBXZWXQJUCMD-UHFFFAOYSA-N 0 1 316.332 3.521 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC3(CCOCC3)CC2)c1 ZINC000284763716 131109756 /nfs/dbraw/zinc/10/97/56/131109756.db2.gz MKXVZBBYAJCFDJ-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000297893083 132039092 /nfs/dbraw/zinc/03/90/92/132039092.db2.gz VQWZRNWIPZPLQJ-ZDUSSCGKSA-N 0 1 306.387 3.906 20 5 DHBDMN COc1ccc(C)cc1CNCc1cccc([N+](=O)[O-])c1C ZINC000318492980 332883917 /nfs/dbraw/zinc/88/39/17/332883917.db2.gz IHESNYBYQXLSSU-UHFFFAOYSA-N 0 1 300.358 3.510 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H](C)OC2(CCC2)C1 ZINC000584292312 332220703 /nfs/dbraw/zinc/22/07/03/332220703.db2.gz GFXYTLHLCIRJOF-HNRFISLBSA-N 0 1 316.401 3.642 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC(Cc3ccc(F)c(F)c3)C2)cc1 ZINC000559992516 332300198 /nfs/dbraw/zinc/30/01/98/332300198.db2.gz AVSMKUMSPIUOMN-UHFFFAOYSA-N 0 1 318.323 3.548 20 5 DHBDMN CCC[C@H](NCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ZINC000120649129 333304002 /nfs/dbraw/zinc/30/40/02/333304002.db2.gz RTEOIVSULRGVBD-INIZCTEOSA-N 0 1 315.373 3.629 20 5 DHBDMN Cc1c([C@H](C)NCc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000271483680 334023944 /nfs/dbraw/zinc/02/39/44/334023944.db2.gz KQYYZEXYRDOCNA-AWEZNQCLSA-N 0 1 313.401 3.820 20 5 DHBDMN C[C@H](NC1(c2cccc(F)c2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285327904 334146847 /nfs/dbraw/zinc/14/68/47/334146847.db2.gz UDNUTXRZFVEYDV-NSHDSACASA-N 0 1 315.348 3.656 20 5 DHBDMN CCC(CC)[C@@H](NCc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000341599275 334460474 /nfs/dbraw/zinc/46/04/74/334460474.db2.gz UHWBQPPZHRWYFK-CQSZACIVSA-N 0 1 322.434 3.657 20 5 DHBDMN CC[C@H](N[C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401267 334862595 /nfs/dbraw/zinc/86/25/95/334862595.db2.gz LGUXIYFBEIHZJG-ZWKOTPCHSA-N 0 1 312.369 3.907 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1ccncc1OC)c1cccc([N+](=O)[O-])c1 ZINC000188769134 334872045 /nfs/dbraw/zinc/87/20/45/334872045.db2.gz WOGWSSIFOGGNLC-BLLLJJGKSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1ccccc1[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532247808 335926247 /nfs/dbraw/zinc/92/62/47/335926247.db2.gz FRERGSUUPCEULG-KBXCAEBGSA-N 0 1 314.385 3.596 20 5 DHBDMN O=[N+]([O-])c1cc(CNC[C@@H]2CCC3(CCCCC3)O2)cs1 ZINC000480466067 336020412 /nfs/dbraw/zinc/02/04/12/336020412.db2.gz YCNMDSGHCIVENX-ZDUSSCGKSA-N 0 1 310.419 3.628 20 5 DHBDMN C[C@H](CNc1sccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000301976222 336340928 /nfs/dbraw/zinc/34/09/28/336340928.db2.gz CJYYOPIJJUPPKZ-GFCCVEGCSA-N 0 1 317.414 3.515 20 5 DHBDMN Cc1cc(N2CCSC(C)(C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302099259 336348516 /nfs/dbraw/zinc/34/85/16/336348516.db2.gz UKKLOBCLXBCMCD-UHFFFAOYSA-N 0 1 317.414 3.783 20 5 DHBDMN Cc1noc(C)c1C(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000353114367 336402972 /nfs/dbraw/zinc/40/29/72/336402972.db2.gz VYBBMDZWDSOVSO-CLFYSBASSA-N 0 1 315.373 3.738 20 5 DHBDMN O=C(Nc1cccc2ccsc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356764653 336560320 /nfs/dbraw/zinc/56/03/20/336560320.db2.gz IJKNKCQZPTVMKM-UHFFFAOYSA-N 0 1 314.322 3.767 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccc2)C1 ZINC000514669659 337151575 /nfs/dbraw/zinc/15/15/75/337151575.db2.gz BAACLPXHTLUFST-KDOFPFPSSA-N 0 1 312.369 3.809 20 5 DHBDMN Cc1ncsc1CCN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179241183 337168415 /nfs/dbraw/zinc/16/84/15/337168415.db2.gz IBTMSOPVRGRYCF-UHFFFAOYSA-N 0 1 317.414 3.567 20 5 DHBDMN Cc1ccc(CN2CC[C@]3(C2)OCc2ccccc23)cc1[N+](=O)[O-] ZINC000186441572 337256133 /nfs/dbraw/zinc/25/61/33/337256133.db2.gz SXNHLVXJRACCTN-LJQANCHMSA-N 0 1 324.380 3.535 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCCc3c(O)cccc32)cc1[N+](=O)[O-] ZINC000191655456 337298372 /nfs/dbraw/zinc/29/83/72/337298372.db2.gz SGIJXIBWRWVAMB-MRXNPFEDSA-N 0 1 312.369 3.776 20 5 DHBDMN CSC[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429293180 338076673 /nfs/dbraw/zinc/07/66/73/338076673.db2.gz JNTVQVFWHWPRQL-NSHDSACASA-N 0 1 314.838 3.823 20 5 DHBDMN CC1(C)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CCS1 ZINC000434681355 338223141 /nfs/dbraw/zinc/22/31/41/338223141.db2.gz NLMFYLIAQFANGP-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC(C)(C)OC(C)(C)C1 ZINC000442879366 338437708 /nfs/dbraw/zinc/43/77/08/338437708.db2.gz JBTCJLONGHNAFC-CYBMUJFWSA-N 0 1 306.406 3.854 20 5 DHBDMN COc1cc(CN2CCCC[C@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000464686500 339148800 /nfs/dbraw/zinc/14/88/00/339148800.db2.gz CNOROBLHXKUWJY-AWEZNQCLSA-N 0 1 310.369 3.753 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(Cl)cn1 ZINC000468590932 339267002 /nfs/dbraw/zinc/26/70/02/339267002.db2.gz XVCHBJJBHCLPDO-KPKJPENVSA-N 0 1 317.776 3.836 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1scnc1C ZINC000470169831 339312553 /nfs/dbraw/zinc/31/25/53/339312553.db2.gz KRXBBQNWMATRPA-GHXNOFRVSA-N 0 1 317.414 3.895 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCc2ccc(O)cc2C1 ZINC000470169975 339312630 /nfs/dbraw/zinc/31/26/30/339312630.db2.gz MSDYSFZMOMPOQH-NTEUORMPSA-N 0 1 324.380 3.762 20 5 DHBDMN Cc1ccc2[nH]c(CNCc3ccccc3[N+](=O)[O-])cc2c1C ZINC000472063788 339361885 /nfs/dbraw/zinc/36/18/85/339361885.db2.gz PUTBWXJYPJDUKV-UHFFFAOYSA-N 0 1 309.369 3.983 20 5 DHBDMN Cn1cccc1[C@@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000472315453 339369665 /nfs/dbraw/zinc/36/96/65/339369665.db2.gz NQKIDCJJOQRWMJ-SFHVURJKSA-N 0 1 313.401 3.703 20 5 DHBDMN COc1cccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000505655658 340174312 /nfs/dbraw/zinc/17/43/12/340174312.db2.gz DABHRRXSUVDXSX-UHFFFAOYSA-N 0 1 300.358 3.544 20 5 DHBDMN Cc1ccccc1[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000507162230 340210162 /nfs/dbraw/zinc/21/01/62/340210162.db2.gz CFEGWRZIVDFFIN-AWEZNQCLSA-N 0 1 302.399 3.954 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000507245593 340215508 /nfs/dbraw/zinc/21/55/08/340215508.db2.gz BTXPDAROWZIVNC-NEPJUHHUSA-N 0 1 310.357 3.883 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNC/C=C/c1ccc(F)c(F)c1 ZINC000512129261 340349320 /nfs/dbraw/zinc/34/93/20/340349320.db2.gz KCECTYQJVDKLAQ-ONEGZZNKSA-N 0 1 304.296 3.676 20 5 DHBDMN CCOCC[N@@H+](CC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000512299834 340356076 /nfs/dbraw/zinc/35/60/76/340356076.db2.gz PJBPNOQNBJSTAG-UHFFFAOYSA-N 0 1 318.373 3.713 20 5 DHBDMN Cc1c(CNCc2ccccc2OC(F)F)cccc1[N+](=O)[O-] ZINC000237605617 340672511 /nfs/dbraw/zinc/67/25/11/340672511.db2.gz STDOVACKPILKDW-UHFFFAOYSA-N 0 1 322.311 3.794 20 5 DHBDMN Cc1nc(CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000130307268 341015019 /nfs/dbraw/zinc/01/50/19/341015019.db2.gz PXKKPDQHKOXLEW-UHFFFAOYSA-N 0 1 317.414 3.567 20 5 DHBDMN Cc1nc(CCN(Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000130307268 341015020 /nfs/dbraw/zinc/01/50/20/341015020.db2.gz PXKKPDQHKOXLEW-UHFFFAOYSA-N 0 1 317.414 3.567 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[C@H]3F)o2)cc1 ZINC000549935236 341307312 /nfs/dbraw/zinc/30/73/12/341307312.db2.gz DGAOPYZJBMGZRR-CABCVRRESA-N 0 1 304.321 3.835 20 5 DHBDMN COC[C@@H]1CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552315348 341385834 /nfs/dbraw/zinc/38/58/34/341385834.db2.gz MYCPSMURSLUZPR-LBPRGKRZSA-N 0 1 318.398 3.544 20 5 DHBDMN COC[C@@H]1CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000552315348 341385835 /nfs/dbraw/zinc/38/58/35/341385835.db2.gz MYCPSMURSLUZPR-LBPRGKRZSA-N 0 1 318.398 3.544 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H]3CF)o2)c1 ZINC000552391943 341390883 /nfs/dbraw/zinc/39/08/83/341390883.db2.gz DKVBBGPJYKIBBR-AWEZNQCLSA-N 0 1 304.321 3.789 20 5 DHBDMN O=C(CCc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1O ZINC000088375594 341399645 /nfs/dbraw/zinc/39/96/45/341399645.db2.gz JDZGUHLZQYSFQF-UHFFFAOYSA-N 0 1 320.732 3.525 20 5 DHBDMN CCC1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153074916 341523483 /nfs/dbraw/zinc/52/34/83/341523483.db2.gz CEPFTIJWYDSPLS-UHFFFAOYSA-N 0 1 315.373 3.872 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1c2ccccc2C[C@@H]1C ZINC000178729168 341962990 /nfs/dbraw/zinc/96/29/90/341962990.db2.gz KHTXQLNXDPYVSV-KPZWWZAWSA-N 0 1 312.369 3.627 20 5 DHBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000193278319 522751856 /nfs/dbraw/zinc/75/18/56/522751856.db2.gz JGENDRYGVKHKBR-INIZCTEOSA-N 0 1 320.776 3.726 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccccc1C ZINC000172451981 525463111 /nfs/dbraw/zinc/46/31/11/525463111.db2.gz FIAMIQGWSTVRCA-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@H](N[C@@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718602 525577915 /nfs/dbraw/zinc/57/79/15/525577915.db2.gz BFAXQPAGOLXVQC-MEDUHNTESA-N 0 1 316.332 3.908 20 5 DHBDMN Cc1csc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000156662189 526330000 /nfs/dbraw/zinc/33/00/00/526330000.db2.gz GXSYJRXQRLKXCG-UHFFFAOYSA-N 0 1 317.414 3.739 20 5 DHBDMN COCC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000272452017 536819946 /nfs/dbraw/zinc/81/99/46/536819946.db2.gz MQGYFQGHUXFQEP-DOMZBBRYSA-N 0 1 304.346 3.616 20 5 DHBDMN CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739509 974985180 /nfs/dbraw/zinc/98/51/80/974985180.db2.gz FYIGFILDXKTJBC-DOMZBBRYSA-N 0 1 320.389 3.694 20 5 DHBDMN CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740549 974985501 /nfs/dbraw/zinc/98/55/01/974985501.db2.gz FYIGFILDXKTJBC-WFASDCNBSA-N 0 1 320.389 3.694 20 5 DHBDMN CC[C@H](C)C[N@@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177856475 1014436425 /nfs/dbraw/zinc/43/64/25/1014436425.db2.gz DYWOUPCXCMOYFJ-LBPRGKRZSA-N 0 1 318.377 3.513 20 5 DHBDMN Cc1ccc(CNCc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000053149064 1014490304 /nfs/dbraw/zinc/49/03/04/1014490304.db2.gz LFMQISODVFTFLI-UHFFFAOYSA-N 0 1 308.740 3.986 20 5 DHBDMN CCOc1ccc([C@H](C)[NH2+]Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000610575375 1014853682 /nfs/dbraw/zinc/85/36/82/1014853682.db2.gz VLQIMJWPYYAHFZ-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000280866922 1015472338 /nfs/dbraw/zinc/47/23/38/1015472338.db2.gz MKLOWEPRBQUCJC-ZDUSSCGKSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000280866920 1015471092 /nfs/dbraw/zinc/47/10/92/1015471092.db2.gz MKLOWEPRBQUCJC-CYBMUJFWSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1nc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000610946377 1015527470 /nfs/dbraw/zinc/52/74/70/1015527470.db2.gz KCKOBNDBTSSHSA-SNVBAGLBSA-N 0 1 305.403 3.561 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1cc(Cl)ccc1O ZINC000610664605 1015695003 /nfs/dbraw/zinc/69/50/03/1015695003.db2.gz RANCORJIMBHPME-UHFFFAOYSA-N 0 1 320.732 3.823 20 5 DHBDMN CC(C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC001591596841 992825009 /nfs/dbraw/zinc/82/50/09/992825009.db2.gz QHRXSVGDYJWISD-UHFFFAOYSA-N 0 1 320.389 3.836 20 5 DHBDMN C[C@@H]1C[C@@H](C)N(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000538717425 1016163105 /nfs/dbraw/zinc/16/31/05/1016163105.db2.gz ZZFRFIUYSDIFIR-VXGBXAGGSA-N 0 1 317.414 3.949 20 5 DHBDMN Cc1nn(C(C)C)cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000281440019 1016520285 /nfs/dbraw/zinc/52/02/85/1016520285.db2.gz SAKLJARJBIAYIL-LBPRGKRZSA-N 0 1 302.378 3.531 20 5 DHBDMN C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1scnc1C1CC1 ZINC000338957320 1016774457 /nfs/dbraw/zinc/77/44/57/1016774457.db2.gz YTULHAOBZKSNFW-UHFFFAOYSA-N 0 1 317.414 3.603 20 5 DHBDMN CC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000339100623 1016810412 /nfs/dbraw/zinc/81/04/12/1016810412.db2.gz QLFAORLPZLPZTH-LBPRGKRZSA-N 0 1 320.414 3.815 20 5 DHBDMN Cc1ccc2c(c1)[C@H](NCc1ccccc1[N+](=O)[O-])CCCO2 ZINC000089512528 1032157510 /nfs/dbraw/zinc/15/75/10/1032157510.db2.gz FHRWOFRYTMCEIO-MRXNPFEDSA-N 0 1 312.369 3.907 20 5 DHBDMN CN(CCOc1ccccc1Cl)Cc1ccc([N+](=O)[O-])cc1 ZINC000479782562 1017071089 /nfs/dbraw/zinc/07/10/89/1017071089.db2.gz MRKYNTQPZRKEMJ-UHFFFAOYSA-N 0 1 320.776 3.759 20 5 DHBDMN COc1cc(CN2CC[C@]3(CC[C@H](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000362190311 1032266302 /nfs/dbraw/zinc/26/63/02/1032266302.db2.gz LPHUUJBJZBXHEI-SJCJKPOMSA-N 0 1 322.380 3.755 20 5 DHBDMN C[C@@H]1[C@@H](C(F)(F)F)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000475283517 1017116352 /nfs/dbraw/zinc/11/63/52/1017116352.db2.gz IMBLXHJDVCOFMQ-FJYXQWIHSA-N 0 1 314.307 3.881 20 5 DHBDMN Cc1ccc([C@H](C)Nc2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000611480943 1017220058 /nfs/dbraw/zinc/22/00/58/1017220058.db2.gz YJZRPGSLBRSHNI-ZDUSSCGKSA-N 0 1 323.356 3.657 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1cnccc1C ZINC000475555171 1017426672 /nfs/dbraw/zinc/42/66/72/1017426672.db2.gz LIOCZIPFUDZMBW-ZROIWOOFSA-N 0 1 311.385 3.834 20 5 DHBDMN CC(C)(CNCc1cc([N+](=O)[O-])ccc1Cl)OCC1CC1 ZINC000840960056 1017584937 /nfs/dbraw/zinc/58/49/37/1017584937.db2.gz CVPYGXAJMBCDPC-UHFFFAOYSA-N 0 1 312.797 3.543 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674243 1017623647 /nfs/dbraw/zinc/62/36/47/1017623647.db2.gz ONWUMEDHUNEVDK-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN CCN(Cc1ccccc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764858957 1018402003 /nfs/dbraw/zinc/40/20/03/1018402003.db2.gz XJURKKJRCUVJGP-UHFFFAOYSA-N 0 1 324.384 3.733 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000765421999 1018780374 /nfs/dbraw/zinc/78/03/74/1018780374.db2.gz XHHGKWOZEXSVCW-JTQLQIEISA-N 0 1 321.764 3.503 20 5 DHBDMN COc1cnccc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059233 1018973712 /nfs/dbraw/zinc/97/37/12/1018973712.db2.gz BWUDWJVOJOCZJA-CHWSQXEVSA-N 0 1 315.373 3.719 20 5 DHBDMN CCc1ccc([C@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844001 1019420750 /nfs/dbraw/zinc/42/07/50/1019420750.db2.gz NACFIFMWBLMXIM-UGSOOPFHSA-N 0 1 314.385 3.541 20 5 DHBDMN Cc1ccc(CN2CCCc3sccc3C2)cc1[N+](=O)[O-] ZINC000611271119 1019428452 /nfs/dbraw/zinc/42/84/52/1019428452.db2.gz GRPASHSFBSGWID-UHFFFAOYSA-N 0 1 302.399 3.913 20 5 DHBDMN C[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000368774022 1019547631 /nfs/dbraw/zinc/54/76/31/1019547631.db2.gz XXBQDWOAFUZDBP-ZDUSSCGKSA-N 0 1 322.368 3.836 20 5 DHBDMN CCOc1cc(F)cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000922539887 1020122713 /nfs/dbraw/zinc/12/27/13/1020122713.db2.gz FTLFQFGPUWLHPP-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(O)c1 ZINC000179320506 1020252145 /nfs/dbraw/zinc/25/21/45/1020252145.db2.gz VREOYKWBYCSYLJ-UHFFFAOYSA-N 0 1 300.358 3.711 20 5 DHBDMN COc1cccc([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000283114213 1020381078 /nfs/dbraw/zinc/38/10/78/1020381078.db2.gz MNWAOUUUWJOXNN-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN CCN(C)c1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000765849197 1020502522 /nfs/dbraw/zinc/50/25/22/1020502522.db2.gz NRNLCSFMXCUFEE-CQSZACIVSA-N 0 1 313.401 3.902 20 5 DHBDMN CC(C)(NCc1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000163118752 1020575174 /nfs/dbraw/zinc/57/51/74/1020575174.db2.gz JFFJKYLXWALSBD-UHFFFAOYSA-N 0 1 306.312 3.898 20 5 DHBDMN C[C@@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576039 1032950571 /nfs/dbraw/zinc/95/05/71/1032950571.db2.gz GRCHUDOHHLYXBD-QMTHXVAHSA-N 0 1 303.387 3.780 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c(F)c1 ZINC000537955768 1032951549 /nfs/dbraw/zinc/95/15/49/1032951549.db2.gz KFPGJZVJYXFNDF-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CC(C)(C)c1ccc(COC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000918500801 1021533903 /nfs/dbraw/zinc/53/39/03/1021533903.db2.gz NVGDUEALTKZIPX-UHFFFAOYSA-N 0 1 302.330 3.577 20 5 DHBDMN CC[C@H]1C[C@H](C)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442063 1021545178 /nfs/dbraw/zinc/54/51/78/1021545178.db2.gz WBZHVTXCGMOFEK-QWRGUYRKSA-N 0 1 321.402 3.950 20 5 DHBDMN Cc1c([C@H](C)N[C@H]2C[C@@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528195 1021582654 /nfs/dbraw/zinc/58/26/54/1021582654.db2.gz JKSYEKMFVGRYEH-ULFGMLNVSA-N 0 1 312.369 3.732 20 5 DHBDMN CC[C@H](N[C@@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850529115 1021582676 /nfs/dbraw/zinc/58/26/76/1021582676.db2.gz NMQLSYQIQKYRRU-RCCFBDPRSA-N 0 1 312.369 3.814 20 5 DHBDMN COc1cccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000850578155 1021618518 /nfs/dbraw/zinc/61/85/18/1021618518.db2.gz JOIPEUOEAADVOA-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CC(C)(CNCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000619747736 1021885796 /nfs/dbraw/zinc/88/57/96/1021885796.db2.gz DVRASOIUBAMRIE-UHFFFAOYSA-N 0 1 310.703 3.926 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]1Cc1ccccc1 ZINC000851806410 1022009298 /nfs/dbraw/zinc/00/92/98/1022009298.db2.gz OTVZOKLQOYOSRQ-MRXNPFEDSA-N 0 1 300.333 3.551 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852598750 1022147817 /nfs/dbraw/zinc/14/78/17/1022147817.db2.gz YNXOJINPNQGFSP-SUMWQHHRSA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCCSC(F)(F)F)c(Cl)c1 ZINC000183497810 1022160779 /nfs/dbraw/zinc/16/07/79/1022160779.db2.gz AXSFYHAAGITCLN-UHFFFAOYSA-N 0 1 314.716 3.591 20 5 DHBDMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038911 1022221495 /nfs/dbraw/zinc/22/14/95/1022221495.db2.gz LGCIPCDGLCNJGR-VVLHAWIVSA-N 0 1 312.454 3.695 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(CC[C@@H]1CCCCO1)C1CC1 ZINC000347480634 1022270450 /nfs/dbraw/zinc/27/04/50/1022270450.db2.gz FPPIQYGTJNXENZ-INIZCTEOSA-N 0 1 304.390 3.518 20 5 DHBDMN CCC1(CC)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001169421097 1022398554 /nfs/dbraw/zinc/39/85/54/1022398554.db2.gz XIFSRRYEJVXUJA-UHFFFAOYSA-N 0 1 321.377 3.905 20 5 DHBDMN Cn1ncc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1C(F)F ZINC000616062581 1022626202 /nfs/dbraw/zinc/62/62/02/1022626202.db2.gz XPBSVECEVTVBRQ-UHFFFAOYSA-N 0 1 319.271 3.558 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1ccc(C)cn1 ZINC000616152036 1022648970 /nfs/dbraw/zinc/64/89/70/1022648970.db2.gz CLSRULVGVQUUEZ-DHDCSXOGSA-N 0 1 311.385 3.834 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C)cn1 ZINC000616152036 1022648973 /nfs/dbraw/zinc/64/89/73/1022648973.db2.gz CLSRULVGVQUUEZ-DHDCSXOGSA-N 0 1 311.385 3.834 20 5 DHBDMN Cc1ccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 ZINC000769795511 1023215578 /nfs/dbraw/zinc/21/55/78/1023215578.db2.gz KVBHXOBAQALPDN-JTQLQIEISA-N 0 1 316.386 3.692 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CNCc1ccc2c(c1)COC2 ZINC000769927659 1023248875 /nfs/dbraw/zinc/24/88/75/1023248875.db2.gz HVGAWIBDLJYOLS-UHFFFAOYSA-N 0 1 318.760 3.568 20 5 DHBDMN C[C@@H]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])[C@H]1C ZINC000770281773 1023290072 /nfs/dbraw/zinc/29/00/72/1023290072.db2.gz ADCYFHGBLUXXPR-ZJUUUORDSA-N 0 1 313.195 3.588 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccnc(F)c3)C2)cc1 ZINC000859324117 1033122543 /nfs/dbraw/zinc/12/25/43/1033122543.db2.gz INGWXCNKMZQTAG-OAHLLOKOSA-N 0 1 315.348 3.509 20 5 DHBDMN C[C@H](NCc1ccc(F)c(Cl)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788585447 1023910397 /nfs/dbraw/zinc/91/03/97/1023910397.db2.gz VHXNTUOHBXOKPW-VIFPVBQESA-N 0 1 323.755 3.820 20 5 DHBDMN Cc1c(CN[C@H]2CCc3ccc(Cl)nc32)cccc1[N+](=O)[O-] ZINC000788778661 1023937703 /nfs/dbraw/zinc/93/77/03/1023937703.db2.gz UAHNTLRAHCBBEN-ZDUSSCGKSA-N 0 1 317.776 3.729 20 5 DHBDMN COc1ccc(CN(Cc2cccs2)C2CC2)cc1[N+](=O)[O-] ZINC000051408283 1023995947 /nfs/dbraw/zinc/99/59/47/1023995947.db2.gz QEPMLELTUGUFGL-UHFFFAOYSA-N 0 1 318.398 3.830 20 5 DHBDMN CC(C)[C@H](C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270582654 1024405967 /nfs/dbraw/zinc/40/59/67/1024405967.db2.gz IXJKMSAMGJPZNS-LBPRGKRZSA-N 0 1 303.362 3.726 20 5 DHBDMN CC(C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000270703720 1024421083 /nfs/dbraw/zinc/42/10/83/1024421083.db2.gz JDFZLIWPYHGOGU-MRVPVSSYSA-N 0 1 309.757 3.663 20 5 DHBDMN Cc1c([C@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000271457822 1024511331 /nfs/dbraw/zinc/51/13/31/1024511331.db2.gz GZERDOZIKVAPDA-RYUDHWBXSA-N 0 1 317.393 3.557 20 5 DHBDMN CCC[C@H](N[C@H]1CCCc2c[nH]nc21)c1cccc([N+](=O)[O-])c1 ZINC000271495786 1024522719 /nfs/dbraw/zinc/52/27/19/1024522719.db2.gz LGHFNZRYCOMOBU-HOTGVXAUSA-N 0 1 314.389 3.826 20 5 DHBDMN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)c1ccccc1 ZINC000585754560 1024597253 /nfs/dbraw/zinc/59/72/53/1024597253.db2.gz QZYUKFGUSVWUOR-UHFFFAOYSA-N 0 1 324.384 3.838 20 5 DHBDMN CCn1cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000296044004 1024670696 /nfs/dbraw/zinc/67/06/96/1024670696.db2.gz NIKNWBPNPHCUPS-CHWSQXEVSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1nn(CN2CCC[C@@H]2CC2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000747075999 1024673568 /nfs/dbraw/zinc/67/35/68/1024673568.db2.gz HFUSHADEIPPNEI-MRXNPFEDSA-N 0 1 320.437 3.800 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793338186 1024998766 /nfs/dbraw/zinc/99/87/66/1024998766.db2.gz CYVFNUKEISMOCN-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN Cc1cccc(CN(C)Cn2ncc3cc([N+](=O)[O-])ccc32)c1C ZINC000793572079 1025126978 /nfs/dbraw/zinc/12/69/78/1025126978.db2.gz RZSAVANWNCUBNX-UHFFFAOYSA-N 0 1 324.384 3.651 20 5 DHBDMN CC(C)[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000354093510 1025348567 /nfs/dbraw/zinc/34/85/67/1025348567.db2.gz QELPOGDFIYMQHR-INIZCTEOSA-N 0 1 303.337 3.616 20 5 DHBDMN C[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000886020647 1025442755 /nfs/dbraw/zinc/44/27/55/1025442755.db2.gz FIIZWAPMVLHYGW-WMLDXEAASA-N 0 1 311.385 3.615 20 5 DHBDMN CCN(Cc1cccnc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000886147385 1025530016 /nfs/dbraw/zinc/53/00/16/1025530016.db2.gz RIICUQCLRQTDNW-LBPRGKRZSA-N 0 1 305.403 3.504 20 5 DHBDMN Cc1cc(C(=O)Nc2cc(Cl)c(O)cc2F)cc([N+](=O)[O-])c1 ZINC000805257026 1025568675 /nfs/dbraw/zinc/56/86/75/1025568675.db2.gz NUFHBUBSHWBBNV-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN COC[C@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667904 1026060380 /nfs/dbraw/zinc/06/03/80/1026060380.db2.gz HCDLSAYRHOIMIY-PBHICJAKSA-N 0 1 314.385 3.942 20 5 DHBDMN COC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668780 1026060570 /nfs/dbraw/zinc/06/05/70/1026060570.db2.gz RWPFGZCKISRIDB-GUYCJALGSA-N 0 1 300.358 3.633 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000289853366 1026201051 /nfs/dbraw/zinc/20/10/51/1026201051.db2.gz QKURNTJARZUOOC-DAXOMENPSA-N 0 1 304.390 3.545 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000421003599 1026910501 /nfs/dbraw/zinc/91/05/01/1026910501.db2.gz ZCRNDRDWGMJDBD-AWEZNQCLSA-N 0 1 322.311 3.787 20 5 DHBDMN COc1ccc(CNCc2cccc(C3CC3)c2)cc1[N+](=O)[O-] ZINC000421328138 1026955979 /nfs/dbraw/zinc/95/59/79/1026955979.db2.gz RYEVICCMHVAYFQ-UHFFFAOYSA-N 0 1 312.369 3.771 20 5 DHBDMN CO[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(C)C ZINC000811482180 1027007623 /nfs/dbraw/zinc/00/76/23/1027007623.db2.gz HABQTMXPVNVDKF-GFCCVEGCSA-N 0 1 321.204 3.662 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ncco2)CC1 ZINC000931451965 1027128126 /nfs/dbraw/zinc/12/81/26/1027128126.db2.gz XRPHIRRHKBXJQD-GFCCVEGCSA-N 0 1 301.346 3.523 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CC4CCC3CC4)co2)cc1 ZINC000362341978 1027156750 /nfs/dbraw/zinc/15/67/50/1027156750.db2.gz PELSRIFGOMSMAO-UHFFFAOYSA-N 0 1 313.357 3.624 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC=C(c2ccccn2)C1 ZINC000571962472 1027160179 /nfs/dbraw/zinc/16/01/79/1027160179.db2.gz MMYFBYLQJFSPFD-CQSZACIVSA-N 0 1 309.369 3.840 20 5 DHBDMN Cc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000932178299 1027397461 /nfs/dbraw/zinc/39/74/61/1027397461.db2.gz LSMAMRUSJVQMCM-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000362954013 1027463456 /nfs/dbraw/zinc/46/34/56/1027463456.db2.gz FRILZRZSEJASMG-MWLCHTKSSA-N 0 1 303.366 3.708 20 5 DHBDMN O=[N+]([O-])c1ccc(NCc2ccc3nc[nH]c3c2)c2ncccc12 ZINC000600850084 1027865434 /nfs/dbraw/zinc/86/54/34/1027865434.db2.gz GMDCHIRBSALBQZ-UHFFFAOYSA-N 0 1 319.324 3.631 20 5 DHBDMN Cc1ncc([C@H](C)N[C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000601299990 1028068626 /nfs/dbraw/zinc/06/86/26/1028068626.db2.gz RWZOOXHPYNCXSV-ZANVPECISA-N 0 1 303.387 3.698 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1c1ccccc1 ZINC000010087123 1028555053 /nfs/dbraw/zinc/55/50/53/1028555053.db2.gz DVLFELKAXKUBPD-QGZVFWFLSA-N 0 1 312.369 3.941 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1cc(F)cc(F)c1 ZINC000565213321 1028557209 /nfs/dbraw/zinc/55/72/09/1028557209.db2.gz AHAMHXHEHHSZEU-HNNXBMFYSA-N 0 1 304.296 3.650 20 5 DHBDMN Cc1ccc(C(C)(C)NCc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000783674862 1029824223 /nfs/dbraw/zinc/82/42/23/1029824223.db2.gz RFJBZBWGWYYXCC-UHFFFAOYSA-N 0 1 319.792 3.977 20 5 DHBDMN Cc1ncc([C@H](C)NCc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000865700936 1029982189 /nfs/dbraw/zinc/98/21/89/1029982189.db2.gz CRNFHIZNONZVSU-QMMMGPOBSA-N 0 1 311.794 3.864 20 5 DHBDMN CC[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796327 1030190093 /nfs/dbraw/zinc/19/00/93/1030190093.db2.gz BKOKBMXOFCDLEG-WFASDCNBSA-N 0 1 315.373 3.800 20 5 DHBDMN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000291784091 1030640989 /nfs/dbraw/zinc/64/09/89/1030640989.db2.gz VGKHWWWORCRLHN-LKFCYVNXSA-N 0 1 324.427 3.510 20 5 DHBDMN Cc1c(CN[C@H](C)c2ccnn2C2CCC2)cccc1[N+](=O)[O-] ZINC000926267803 1030677712 /nfs/dbraw/zinc/67/77/12/1030677712.db2.gz ABDGBACXBOFKJE-CYBMUJFWSA-N 0 1 314.389 3.676 20 5 DHBDMN Cc1c(CN[C@@H](C)c2cc(O)cc(F)c2)cccc1[N+](=O)[O-] ZINC000926269637 1030681248 /nfs/dbraw/zinc/68/12/48/1030681248.db2.gz NHFKIQXVRQZSHU-NSHDSACASA-N 0 1 304.321 3.599 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCCc2cccnc21 ZINC000927063299 1031063282 /nfs/dbraw/zinc/06/32/82/1031063282.db2.gz CWBXDZZDCSSBEK-CVEARBPZSA-N 0 1 309.369 3.644 20 5 DHBDMN CC[N@H+](Cc1ccc(C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559066729 1031081437 /nfs/dbraw/zinc/08/14/37/1031081437.db2.gz ODSPHALPASIRJS-UHFFFAOYSA-N 0 1 300.358 3.631 20 5 DHBDMN CC[N@@H+](Cc1ccc(C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559066729 1031081453 /nfs/dbraw/zinc/08/14/53/1031081453.db2.gz ODSPHALPASIRJS-UHFFFAOYSA-N 0 1 300.358 3.631 20 5 DHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000360056611 1031258969 /nfs/dbraw/zinc/25/89/69/1031258969.db2.gz XSRIGAQKRLEAFL-SCZZXKLOSA-N 0 1 321.356 3.847 20 5 DHBDMN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c(F)c1 ZINC000536842952 1031454665 /nfs/dbraw/zinc/45/46/65/1031454665.db2.gz BYRMKGSJSPSWKY-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@@H](NC[C@@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075228 1031472383 /nfs/dbraw/zinc/47/23/83/1031472383.db2.gz AQAABASSJPOXFJ-ZJUUUORDSA-N 0 1 302.296 3.820 20 5 DHBDMN CCC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)CC(C)C ZINC000878007018 1033552242 /nfs/dbraw/zinc/55/22/42/1033552242.db2.gz HXXZLUOGSUAVNU-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000153594980 1033585609 /nfs/dbraw/zinc/58/56/09/1033585609.db2.gz KXUYOQONOFVGAY-JTQLQIEISA-N 0 1 321.402 3.609 20 5 DHBDMN Cc1cc([C@H]2CCCN2[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229219 1033605231 /nfs/dbraw/zinc/60/52/31/1033605231.db2.gz RPZJNGSXEIUDDN-YVEFUNNKSA-N 0 1 315.373 3.659 20 5 DHBDMN CCCc1cccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000479570653 1033810479 /nfs/dbraw/zinc/81/04/79/1033810479.db2.gz QHGFFSGVCANDJW-UHFFFAOYSA-N 0 1 314.385 3.846 20 5 DHBDMN O=[N+]([O-])c1ccccc1OCCN1Cc2ccccc2C2(CC2)C1 ZINC000481724206 1034951565 /nfs/dbraw/zinc/95/15/65/1034951565.db2.gz MFEDCRYDJBGETA-UHFFFAOYSA-N 0 1 324.380 3.521 20 5 DHBDMN Cc1cccc([C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000159854001 1035097223 /nfs/dbraw/zinc/09/72/23/1035097223.db2.gz OPYQIFAEESEBQP-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(F)cc1C ZINC001175992826 1035176015 /nfs/dbraw/zinc/17/60/15/1035176015.db2.gz ZPVJZXIDBUNASK-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(OCC2CC2)cc1 ZINC000190783132 1035637116 /nfs/dbraw/zinc/63/71/16/1035637116.db2.gz CZCZFFZOLMDJBQ-UHFFFAOYSA-N 0 1 312.369 3.673 20 5 DHBDMN CO[C@H]1C[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384233 1035917311 /nfs/dbraw/zinc/91/73/11/1035917311.db2.gz JTECZFDDJRODNC-GJZGRUSLSA-N 0 1 324.808 3.638 20 5 DHBDMN CCc1cc(CNc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)n[nH]1 ZINC000774529904 1036419649 /nfs/dbraw/zinc/41/96/49/1036419649.db2.gz NWBHLBRGLNQGBR-UHFFFAOYSA-N 0 1 318.377 3.670 20 5 DHBDMN CCOc1cc(CN(C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000492373685 1036852090 /nfs/dbraw/zinc/85/20/90/1036852090.db2.gz FROLFPOJGLLPRT-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN COc1cc(C[N@H+]2CCCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000489183501 1037302848 /nfs/dbraw/zinc/30/28/48/1037302848.db2.gz IWCAYEKSNWHCLA-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN COc1cc(CN2CCCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000489183501 1037302865 /nfs/dbraw/zinc/30/28/65/1037302865.db2.gz IWCAYEKSNWHCLA-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN CC(C)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C)C ZINC000029724603 1037892928 /nfs/dbraw/zinc/89/29/28/1037892928.db2.gz YCKMCMRUSKSPOM-UHFFFAOYSA-N 0 1 318.377 3.511 20 5 DHBDMN CN(Cc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC001192770516 1038699455 /nfs/dbraw/zinc/69/94/55/1038699455.db2.gz JAEPJLIPPBZUOI-UHFFFAOYSA-N 0 1 310.712 3.729 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CC4(CC(F)C4)C3)o2)cc1 ZINC000590969249 1038733597 /nfs/dbraw/zinc/73/35/97/1038733597.db2.gz AGUPGTWWRPYXJI-UHFFFAOYSA-N 0 1 316.332 3.789 20 5 DHBDMN CC(C)[C@H]1CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593736510 1039134108 /nfs/dbraw/zinc/13/41/08/1039134108.db2.gz BIKCYFQYOQUBCY-ZDUSSCGKSA-N 0 1 320.389 3.551 20 5 DHBDMN CN(CCC(C)(C)C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000592144206 1039137383 /nfs/dbraw/zinc/13/73/83/1039137383.db2.gz DATLUTBIGIXSRI-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2cccc(F)c2)C2CC2)cc1 ZINC000603859186 1039192051 /nfs/dbraw/zinc/19/20/51/1039192051.db2.gz LIKOXYCBCVDHFW-UHFFFAOYSA-N 0 1 300.333 3.899 20 5 DHBDMN C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C ZINC000573985073 1039192480 /nfs/dbraw/zinc/19/24/80/1039192480.db2.gz MPOFCJAKOXCHFV-UWVGGRQHSA-N 0 1 302.296 3.844 20 5 DHBDMN COc1ccc(C)cc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594502796 1039803703 /nfs/dbraw/zinc/80/37/03/1039803703.db2.gz OPHUEJIYUMOMLV-MRXNPFEDSA-N 0 1 312.369 3.689 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201791 1039806842 /nfs/dbraw/zinc/80/68/42/1039806842.db2.gz UGYHMDUEBNWQJN-QWRGUYRKSA-N 0 1 303.362 3.920 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](OC2CCC2)C1 ZINC000594026292 1039951069 /nfs/dbraw/zinc/95/10/69/1039951069.db2.gz IJASOMHFLJLWRP-HIFRSBDPSA-N 0 1 304.390 3.689 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595101943 1040066243 /nfs/dbraw/zinc/06/62/43/1040066243.db2.gz GOKISGJXBVJSFT-DEYYWGMASA-N 0 1 314.385 3.676 20 5 DHBDMN Cc1c([C@H](C)N[C@@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000595103658 1040066349 /nfs/dbraw/zinc/06/63/49/1040066349.db2.gz NOQCJGKNEIUWGZ-PMUMKWKESA-N 0 1 314.385 3.676 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000595088904 1040076586 /nfs/dbraw/zinc/07/65/86/1040076586.db2.gz LQGXRPLTFZJYML-PXAZEXFGSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1noc(CN(C)[C@@H]2CCC[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539400 1040168877 /nfs/dbraw/zinc/16/88/77/1040168877.db2.gz LZIPYNLLYARWIT-HUUCEWRRSA-N 0 1 315.373 3.659 20 5 DHBDMN CC1(C)C[C@]1([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000595907582 1040272387 /nfs/dbraw/zinc/27/23/87/1040272387.db2.gz BDCRCWCPBHJMHH-SFHVURJKSA-N 0 1 312.369 3.715 20 5 DHBDMN COc1cc(CN2CC3CC2(c2ccccc2)C3)ccc1[N+](=O)[O-] ZINC000595908066 1040273289 /nfs/dbraw/zinc/27/32/89/1040273289.db2.gz MLWOUEFDHWHFDR-UHFFFAOYSA-N 0 1 324.380 3.725 20 5 DHBDMN CCc1noc(C)c1CSCc1cc(O)ccc1[N+](=O)[O-] ZINC000593188736 1040478240 /nfs/dbraw/zinc/47/82/40/1040478240.db2.gz BDPKCSJGADJPHX-UHFFFAOYSA-N 0 1 308.359 3.593 20 5 DHBDMN O=C1[C@H]2CCCCCC2=NN1c1ccc([N+](=O)[O-])cc1Cl ZINC000601940766 1040841274 /nfs/dbraw/zinc/84/12/74/1040841274.db2.gz RRWWXTADEHPTFS-JTQLQIEISA-N 0 1 307.737 3.531 20 5 DHBDMN O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1Cl)CCCCC2 ZINC000601940766 1040841280 /nfs/dbraw/zinc/84/12/80/1040841280.db2.gz RRWWXTADEHPTFS-JTQLQIEISA-N 0 1 307.737 3.531 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSCC[C@H]1C ZINC000429773946 1040959553 /nfs/dbraw/zinc/95/95/53/1040959553.db2.gz RRZQZRVATRCTJN-CYBMUJFWSA-N 0 1 324.446 3.709 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(F)F)nc1 ZINC000602649136 1041132406 /nfs/dbraw/zinc/13/24/06/1041132406.db2.gz HLWLHJQZQQYQSK-UHFFFAOYSA-N 0 1 321.327 3.602 20 5 DHBDMN CC[C@H](c1ccccc1)N(Cc1cn(C)nc1[N+](=O)[O-])C(C)C ZINC000602903826 1041301854 /nfs/dbraw/zinc/30/18/54/1041301854.db2.gz STLLNYYLJYHNHB-MRXNPFEDSA-N 0 1 316.405 3.690 20 5 DHBDMN COc1cc([C@@H](C)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527699 131943015 /nfs/dbraw/zinc/94/30/15/131943015.db2.gz XZJZEQYYFJXMIF-QWHCGFSZSA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1ccnc(Nc2ccn([C@@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000610735163 435356094 /nfs/dbraw/zinc/35/60/94/435356094.db2.gz FILWZSPBSXZXKZ-ZDUSSCGKSA-N 0 1 323.356 3.848 20 5 DHBDMN Cc1cc(C)c([N+](=O)[O-])c(Nc2ccn(CCC(C)C)n2)n1 ZINC000543791898 435648578 /nfs/dbraw/zinc/64/85/78/435648578.db2.gz OEQYDDQRGZLFPB-UHFFFAOYSA-N 0 1 303.366 3.593 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2ccccc21 ZINC000172335096 332819695 /nfs/dbraw/zinc/81/96/95/332819695.db2.gz ZRVADTWZZXHCCX-QGZVFWFLSA-N 0 1 312.369 3.771 20 5 DHBDMN CC1(C)CN(Cc2cc(O)ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000569372533 332066132 /nfs/dbraw/zinc/06/61/32/332066132.db2.gz URQPYBOZFPBTJZ-HNNXBMFYSA-N 0 1 318.398 3.945 20 5 DHBDMN Cc1nsc(C)c1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584270308 332178249 /nfs/dbraw/zinc/17/82/49/332178249.db2.gz IDJRUPIZOYEGGB-SNVBAGLBSA-N 0 1 305.403 3.827 20 5 DHBDMN CC(C)CSCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000559503217 332267344 /nfs/dbraw/zinc/26/73/44/332267344.db2.gz JLCBITWOPORJMA-UHFFFAOYSA-N 0 1 308.447 3.732 20 5 DHBDMN COc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cc1F ZINC000182019122 333036520 /nfs/dbraw/zinc/03/65/20/333036520.db2.gz QDSPLLRNYQOKHW-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1cc(NCc2cccc(CO)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000183645909 333059643 /nfs/dbraw/zinc/05/96/43/333059643.db2.gz PEUYPQAPOCMVCE-UHFFFAOYSA-N 0 1 323.352 3.556 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(Cl)nc1)CCC2 ZINC000192699289 333291835 /nfs/dbraw/zinc/29/18/35/333291835.db2.gz GTVUQUFOURASFE-OAHLLOKOSA-N 0 1 317.776 3.810 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419503 333602917 /nfs/dbraw/zinc/60/29/17/333602917.db2.gz XTEAGYXWDLUHSE-HOTGVXAUSA-N 0 1 310.353 3.614 20 5 DHBDMN COc1ncc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000271652209 334025066 /nfs/dbraw/zinc/02/50/66/334025066.db2.gz JGSZYGMDIXLPCN-SNVBAGLBSA-N 0 1 321.764 3.503 20 5 DHBDMN C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cscn1 ZINC000272261004 334031994 /nfs/dbraw/zinc/03/19/94/334031994.db2.gz APDORDRBNACJRR-VIFPVBQESA-N 0 1 311.794 3.598 20 5 DHBDMN COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000534639937 334310702 /nfs/dbraw/zinc/31/07/02/334310702.db2.gz YHEMOWXZIHYTRW-UHFFFAOYSA-N 0 1 303.705 3.800 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCCOC2CCCCC2)c(Cl)c1 ZINC000111638494 334348113 /nfs/dbraw/zinc/34/81/13/334348113.db2.gz YMVUWIBIUWOGTG-UHFFFAOYSA-N 0 1 312.797 3.687 20 5 DHBDMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993936 334367314 /nfs/dbraw/zinc/36/73/14/334367314.db2.gz QIKZJTRWKPRFSZ-RHSMWYFYSA-N 0 1 314.385 3.596 20 5 DHBDMN CCC[C@H](NCc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000305160428 334378169 /nfs/dbraw/zinc/37/81/69/334378169.db2.gz WVTMDBRXHFTCAB-SFHVURJKSA-N 0 1 314.385 3.718 20 5 DHBDMN Cc1ncc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417311932 334705021 /nfs/dbraw/zinc/70/50/21/334705021.db2.gz MPZGGCXNTRIAJK-INIZCTEOSA-N 0 1 317.414 3.917 20 5 DHBDMN CCO[C@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC000352609043 336226727 /nfs/dbraw/zinc/22/67/27/336226727.db2.gz QNDMCYUZANMGQY-CVEARBPZSA-N 0 1 322.380 3.513 20 5 DHBDMN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780896 336236029 /nfs/dbraw/zinc/23/60/29/336236029.db2.gz WIGKLTUBNLKJNI-GFCCVEGCSA-N 0 1 312.435 3.567 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)N1CCCC1 ZINC000301186971 336293971 /nfs/dbraw/zinc/29/39/71/336293971.db2.gz PUCHMGQZNVIPKL-OAHLLOKOSA-N 0 1 315.373 3.745 20 5 DHBDMN CC[C@H](C)[C@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302186006 336352961 /nfs/dbraw/zinc/35/29/61/336352961.db2.gz PGYFXIPXPOMTCL-APPDUMDISA-N 0 1 317.389 3.660 20 5 DHBDMN Cc1cc(N(C)CCc2ccccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302196647 336353465 /nfs/dbraw/zinc/35/34/65/336353465.db2.gz STMZRJAJLZANAU-UHFFFAOYSA-N 0 1 322.368 3.525 20 5 DHBDMN Cc1ccc(Cl)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000357351342 336582093 /nfs/dbraw/zinc/58/20/93/336582093.db2.gz CISTUBUSPIWJSZ-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC2(CC1)OCc1ccccc12 ZINC000378134714 337066931 /nfs/dbraw/zinc/06/69/31/337066931.db2.gz PQSAWDYNNZKKAQ-UHFFFAOYSA-N 0 1 324.380 3.616 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC(OCC3CCCC3)CC2)c1 ZINC000177496147 337156293 /nfs/dbraw/zinc/15/62/93/337156293.db2.gz GEVOSYSGYWMDGF-UHFFFAOYSA-N 0 1 318.417 3.766 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000191660701 337298433 /nfs/dbraw/zinc/29/84/33/337298433.db2.gz NLTOLJNTHTVXNM-KRWDZBQOSA-N 0 1 312.369 3.776 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] ZINC000088520095 338006867 /nfs/dbraw/zinc/00/68/67/338006867.db2.gz ZZMDRXMERCILRC-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CC(C)(C)c1cnc(SCc2cc(O)ccc2[N+](=O)[O-])o1 ZINC000436477505 338273693 /nfs/dbraw/zinc/27/36/93/338273693.db2.gz XNWRHCHDQIOOKJ-UHFFFAOYSA-N 0 1 308.359 3.878 20 5 DHBDMN COc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc([N+](=O)[O-])c1O ZINC000436559748 338277162 /nfs/dbraw/zinc/27/71/62/338277162.db2.gz YXZWMKNWOYRXOS-UHFFFAOYSA-N 0 1 319.704 3.506 20 5 DHBDMN CCn1ccnc1[C@@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449563759 338637978 /nfs/dbraw/zinc/63/79/78/338637978.db2.gz YGPFWIRFEDIBSE-QLKUMGTLSA-N 0 1 314.389 3.565 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]2c2ccccc2F)c(F)c1 ZINC000459657040 339040973 /nfs/dbraw/zinc/04/09/73/339040973.db2.gz MMESJQQKDPWCSF-XJKSGUPXSA-N 0 1 304.296 3.519 20 5 DHBDMN CCc1cccc(F)c1CNCc1cccc([N+](=O)[O-])c1C ZINC000475224332 339442316 /nfs/dbraw/zinc/44/23/16/339442316.db2.gz OLPYEKVCDKVNOB-UHFFFAOYSA-N 0 1 302.349 3.895 20 5 DHBDMN CCN(CCc1cccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000506597485 340197344 /nfs/dbraw/zinc/19/73/44/340197344.db2.gz ZGXAHTDMTBHUNZ-UHFFFAOYSA-N 0 1 308.378 3.860 20 5 DHBDMN C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000507000973 340205127 /nfs/dbraw/zinc/20/51/27/340205127.db2.gz GTVOXVNNVQAJCC-WMLDXEAASA-N 0 1 311.385 3.842 20 5 DHBDMN COc1cccc(C2=CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000512686910 340373081 /nfs/dbraw/zinc/37/30/81/340373081.db2.gz KNTOTLGOAMURAT-UHFFFAOYSA-N 0 1 324.380 3.893 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3O)n2)cc1 ZINC000316082107 340678206 /nfs/dbraw/zinc/67/82/06/340678206.db2.gz QNQYHESHMIZGCH-UHFFFAOYSA-N 0 1 317.688 3.671 20 5 DHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](C)c1ccon1 ZINC000542699564 341017812 /nfs/dbraw/zinc/01/78/12/341017812.db2.gz JLXZOCTVDYOTMM-NEPJUHHUSA-N 0 1 321.402 3.804 20 5 DHBDMN Cc1cccc([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000544192376 341074079 /nfs/dbraw/zinc/07/40/79/341074079.db2.gz QDRXOGUDKZLMEA-HNNXBMFYSA-N 0 1 302.399 3.954 20 5 DHBDMN CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1cccc(O)c1 ZINC000080932023 341276764 /nfs/dbraw/zinc/27/67/64/341276764.db2.gz PFZVXDKTAGCRRG-ZDUSSCGKSA-N 0 1 300.358 3.884 20 5 DHBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCc2ccccc21 ZINC000549343009 341291755 /nfs/dbraw/zinc/29/17/55/341291755.db2.gz QWBJNQKWGRDTDP-SFHVURJKSA-N 0 1 312.369 3.810 20 5 DHBDMN COc1cc(CN2CC(C)(C)[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000550444414 341317226 /nfs/dbraw/zinc/31/72/26/341317226.db2.gz UXPNMWXZVDLCQN-GXTWGEPZSA-N 0 1 322.380 3.753 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000550931254 341327059 /nfs/dbraw/zinc/32/70/59/341327059.db2.gz BZCCMVREZISRGB-DYVFJYSZSA-N 0 1 312.369 3.825 20 5 DHBDMN COCC[C@@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587330 536808352 /nfs/dbraw/zinc/80/83/52/536808352.db2.gz RLGYVGVPHWYCPT-DZGCQCFKSA-N 0 1 318.373 3.925 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000518895916 1013242344 /nfs/dbraw/zinc/24/23/44/1013242344.db2.gz FEIXNTIAWKXBPY-GFCCVEGCSA-N 0 1 316.405 3.808 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263038488 962158916 /nfs/dbraw/zinc/15/89/16/962158916.db2.gz CBTYJTFFSBFBEM-KGLIPLIRSA-N 0 1 320.389 3.541 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000729481530 1013634563 /nfs/dbraw/zinc/63/45/63/1013634563.db2.gz TYCNWGLFUCHHHQ-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN CCC[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120910196 1013876260 /nfs/dbraw/zinc/87/62/60/1013876260.db2.gz VAQKCGMXUCKRLS-GFCCVEGCSA-N 0 1 303.362 3.748 20 5 DHBDMN CCC(CC)[N@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(C)C ZINC000593740028 974985512 /nfs/dbraw/zinc/98/55/12/974985512.db2.gz MWVHMHVARVVPRG-UHFFFAOYSA-N 0 1 322.405 3.940 20 5 DHBDMN Cc1c(CNCc2ccccc2OC(C)C)cccc1[N+](=O)[O-] ZINC000323039791 1014511555 /nfs/dbraw/zinc/51/15/55/1014511555.db2.gz BQNWYAPTEUBVFI-UHFFFAOYSA-N 0 1 314.385 3.980 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2ccco2)C1 ZINC000610476368 1014540434 /nfs/dbraw/zinc/54/04/34/1014540434.db2.gz AYIPXIFYYSAREU-CYBMUJFWSA-N 0 1 316.357 3.576 20 5 DHBDMN CN(CCc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000177947455 1014617105 /nfs/dbraw/zinc/61/71/05/1014617105.db2.gz FMYCXVLHPGFUJY-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN CC[C@@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000121341699 1014813176 /nfs/dbraw/zinc/81/31/76/1014813176.db2.gz RDRBFMKKBOBVHR-CQSZACIVSA-N 0 1 303.362 3.749 20 5 DHBDMN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000121119243 1014996965 /nfs/dbraw/zinc/99/69/65/1014996965.db2.gz HUNDVAFZWSHFAC-AWEZNQCLSA-N 0 1 322.368 3.631 20 5 DHBDMN Cc1ccc2nc(CN[C@@H](C)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000361809978 1032109138 /nfs/dbraw/zinc/10/91/38/1032109138.db2.gz BGZQRPQUUDHIRI-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CNC3CC(F)(F)C3)o2)cc1 ZINC000277410159 1016297277 /nfs/dbraw/zinc/29/72/77/1016297277.db2.gz FQQINIIJPZSXKK-UHFFFAOYSA-N 0 1 308.284 3.742 20 5 DHBDMN C[C@@H]1c2ccsc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051425799 1016356773 /nfs/dbraw/zinc/35/67/73/1016356773.db2.gz LILFSJOCKYGSME-GFCCVEGCSA-N 0 1 318.398 3.654 20 5 DHBDMN C[C@@H]1c2ccsc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000051425799 1016356784 /nfs/dbraw/zinc/35/67/84/1016356784.db2.gz LILFSJOCKYGSME-GFCCVEGCSA-N 0 1 318.398 3.654 20 5 DHBDMN C[C@H]1c2ccsc2CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051425800 1016358032 /nfs/dbraw/zinc/35/80/32/1016358032.db2.gz LILFSJOCKYGSME-LBPRGKRZSA-N 0 1 318.398 3.654 20 5 DHBDMN C[C@H]1c2ccsc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000051425800 1016358040 /nfs/dbraw/zinc/35/80/40/1016358040.db2.gz LILFSJOCKYGSME-LBPRGKRZSA-N 0 1 318.398 3.654 20 5 DHBDMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000281158361 1016387614 /nfs/dbraw/zinc/38/76/14/1016387614.db2.gz BIBGEKSUQDQKFG-HNNXBMFYSA-N 0 1 316.332 3.520 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc2c(n1)CCCC2 ZINC000444009370 1016577956 /nfs/dbraw/zinc/57/79/56/1016577956.db2.gz NDKUOQJHZQXTMA-YVMONPNESA-N 0 1 323.396 3.672 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2cccc3c2NCC3)C2CC2)c1 ZINC000346825533 1016581090 /nfs/dbraw/zinc/58/10/90/1016581090.db2.gz QILNCLURGPIVBP-UHFFFAOYSA-N 0 1 323.396 3.727 20 5 DHBDMN Cc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000119845282 1032324227 /nfs/dbraw/zinc/32/42/27/1032324227.db2.gz OEWKIMQXCZXCKR-SNVBAGLBSA-N 0 1 305.403 3.827 20 5 DHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000773121473 1032564443 /nfs/dbraw/zinc/56/44/43/1032564443.db2.gz RIIXFKCHTVGWNH-NEPJUHHUSA-N 0 1 303.362 3.733 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC(Oc2ccccc2)CC1 ZINC000064793650 1012119857 /nfs/dbraw/zinc/11/98/57/1012119857.db2.gz JEBWVVFLTBOVGG-UHFFFAOYSA-N 0 1 312.369 3.638 20 5 DHBDMN Cc1c(C[N@H+](C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000514888584 1012485516 /nfs/dbraw/zinc/48/55/16/1012485516.db2.gz UCTIANZVPWDBHN-UHFFFAOYSA-N 0 1 313.401 3.601 20 5 DHBDMN Cc1c(CN(C)Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000514888584 1012485524 /nfs/dbraw/zinc/48/55/24/1012485524.db2.gz UCTIANZVPWDBHN-UHFFFAOYSA-N 0 1 313.401 3.601 20 5 DHBDMN Cc1ccc([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000444674244 1017623862 /nfs/dbraw/zinc/62/38/62/1017623862.db2.gz ONWUMEDHUNEVDK-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[C@H]3CCC[C@@H]32)c1 ZINC000428452091 1018242222 /nfs/dbraw/zinc/24/22/22/1018242222.db2.gz JDEOBPAFFYHDKW-MFKMUULPSA-N 0 1 312.316 3.571 20 5 DHBDMN CC(C)(C)c1cnc(CNCCc2cccc([N+](=O)[O-])c2)s1 ZINC000447891600 1018495866 /nfs/dbraw/zinc/49/58/66/1018495866.db2.gz CPFYZZAJAJSKTK-UHFFFAOYSA-N 0 1 319.430 3.681 20 5 DHBDMN COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000611773918 1018531312 /nfs/dbraw/zinc/53/13/12/1018531312.db2.gz PPVMYYPMDZZQSS-UHFFFAOYSA-N 0 1 312.797 3.639 20 5 DHBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000611773918 1018531325 /nfs/dbraw/zinc/53/13/25/1018531325.db2.gz PPVMYYPMDZZQSS-UHFFFAOYSA-N 0 1 312.797 3.639 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(Nc2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000765527532 1018872353 /nfs/dbraw/zinc/87/23/53/1018872353.db2.gz PKKRHPYWMLBXLW-ZDUSSCGKSA-N 0 1 323.356 3.848 20 5 DHBDMN COc1cnccc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000187059217 1018972008 /nfs/dbraw/zinc/97/20/08/1018972008.db2.gz BWUDWJVOJOCZJA-STQMWFEESA-N 0 1 315.373 3.719 20 5 DHBDMN Cn1cccc1[C@H]1CCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255361572 1019409307 /nfs/dbraw/zinc/40/93/07/1019409307.db2.gz NVVMAWOJTJQMLM-MPYGFJLXSA-N 0 1 311.385 3.784 20 5 DHBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000347601854 1019762187 /nfs/dbraw/zinc/76/21/87/1019762187.db2.gz PPTYWTJWMFEPTB-UHFFFAOYSA-N 0 1 302.296 3.744 20 5 DHBDMN CC[C@H]1CCCN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000727822868 1019822270 /nfs/dbraw/zinc/82/22/70/1019822270.db2.gz DFUQKWRDQKUVMK-JTQLQIEISA-N 0 1 307.375 3.704 20 5 DHBDMN COc1cc(C)ccc1[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000315617598 1019850414 /nfs/dbraw/zinc/85/04/14/1019850414.db2.gz RYDSVJRJGGGWQA-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1ccc([C@@H](C)N(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030002425 1020559246 /nfs/dbraw/zinc/55/92/46/1020559246.db2.gz LKJMAFVZPPVONS-CYBMUJFWSA-N 0 1 300.358 3.796 20 5 DHBDMN O=[N+]([O-])c1cnc(Nc2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000736285987 1020808541 /nfs/dbraw/zinc/80/85/41/1020808541.db2.gz CULOELOFUZZWJU-UHFFFAOYSA-N 0 1 315.720 3.573 20 5 DHBDMN CCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CCC1 ZINC000738056089 1020863437 /nfs/dbraw/zinc/86/34/37/1020863437.db2.gz WPLDXZXPFYIFLP-UHFFFAOYSA-N 0 1 307.375 3.704 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568498 1021426311 /nfs/dbraw/zinc/42/63/11/1021426311.db2.gz XKHFJNOYTWPHJM-QFYYESIMSA-N 0 1 315.373 3.928 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCO2 ZINC000850441500 1021534804 /nfs/dbraw/zinc/53/48/04/1021534804.db2.gz AOEUARDXJXGSSO-CYBMUJFWSA-N 0 1 312.369 3.771 20 5 DHBDMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000092224061 1021561810 /nfs/dbraw/zinc/56/18/10/1021561810.db2.gz BHDMRXXVBJTLKA-HNNXBMFYSA-N 0 1 315.373 3.582 20 5 DHBDMN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccc(F)c(Cl)c1 ZINC000920164487 1022067403 /nfs/dbraw/zinc/06/74/03/1022067403.db2.gz WHEKIZZDKMLBIB-SSDOTTSWSA-N 0 1 312.684 3.633 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H](CCF)C1 ZINC000852532167 1022136133 /nfs/dbraw/zinc/13/61/33/1022136133.db2.gz CSBZMLZVFKFMJT-LLVKDONJSA-N 0 1 300.761 3.820 20 5 DHBDMN CCOc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000173398043 1033041118 /nfs/dbraw/zinc/04/11/18/1033041118.db2.gz HGXANOAGGNVHMV-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338959033 1022410118 /nfs/dbraw/zinc/41/01/18/1022410118.db2.gz XKQVHZPXHZDPAM-CQSZACIVSA-N 0 1 312.369 3.598 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOc2ccccc2C1 ZINC000615836113 1022569543 /nfs/dbraw/zinc/56/95/43/1022569543.db2.gz WXFURHCSCSBZHO-PTNGSMBKSA-N 0 1 324.380 3.893 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCOc2ccccc2C1 ZINC000615836113 1022569552 /nfs/dbraw/zinc/56/95/52/1022569552.db2.gz WXFURHCSCSBZHO-PTNGSMBKSA-N 0 1 324.380 3.893 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1c(O)cccc1Cl ZINC000769587906 1023182410 /nfs/dbraw/zinc/18/24/10/1023182410.db2.gz ZOLMVQYLJAGULG-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN Cc1c(NC(=O)c2c(O)cccc2Cl)cccc1[N+](=O)[O-] ZINC000769604174 1023185651 /nfs/dbraw/zinc/18/56/51/1023185651.db2.gz GDRDWFCIJGGPGH-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCc3c1cccc3O)CCC2 ZINC000278849885 1023778727 /nfs/dbraw/zinc/77/87/27/1023778727.db2.gz VOEHEUNAQNIKHV-ROUUACIJSA-N 0 1 324.380 3.955 20 5 DHBDMN CC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684772 1023918592 /nfs/dbraw/zinc/91/85/92/1023918592.db2.gz FADHEDMVPPTXNS-OTYXRUKQSA-N 0 1 318.377 3.584 20 5 DHBDMN COc1cc2c(cc1F)CC[C@@H]2NCc1cccc([N+](=O)[O-])c1 ZINC000337873030 1033210777 /nfs/dbraw/zinc/21/07/77/1033210777.db2.gz SIRMBHAKRFKIIW-INIZCTEOSA-N 0 1 316.332 3.520 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccnc(C)c2)cc1[N+](=O)[O-] ZINC000453299413 1024446693 /nfs/dbraw/zinc/44/66/93/1024446693.db2.gz VJGPBZYYLPIIKT-CYBMUJFWSA-N 0 1 315.373 3.548 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN(Cc1cccnc1)C1CC1 ZINC000349275706 1024694485 /nfs/dbraw/zinc/69/44/85/1024694485.db2.gz IHFFDSYQIAAMEJ-DAXSKMNVSA-N 0 1 309.369 3.668 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cnc(C)s1 ZINC000347365906 1024751101 /nfs/dbraw/zinc/75/11/01/1024751101.db2.gz MHNGKLNDYODTRB-KPKJPENVSA-N 0 1 317.414 3.895 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN(Cc1cccc(F)c1)C1CC1 ZINC000349944218 1024771816 /nfs/dbraw/zinc/77/18/16/1024771816.db2.gz JURSDJGLNDVPJP-UHFFFAOYSA-N 0 1 316.332 3.604 20 5 DHBDMN CC(C)c1ccc(CNCc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353216542 1024988873 /nfs/dbraw/zinc/98/88/73/1024988873.db2.gz GUMFDTOFNWHAGJ-UHFFFAOYSA-N 0 1 324.384 3.884 20 5 DHBDMN CC[C@@]1(C)CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000353685502 1025200584 /nfs/dbraw/zinc/20/05/84/1025200584.db2.gz IGXIIKWGUDIYKA-KRWDZBQOSA-N 0 1 322.405 3.624 20 5 DHBDMN CSC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178566358 1025233506 /nfs/dbraw/zinc/23/35/06/1025233506.db2.gz VGXPXXOKZJEFCQ-LBPRGKRZSA-N 0 1 300.811 3.576 20 5 DHBDMN C[C@@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000354041185 1025330969 /nfs/dbraw/zinc/33/09/69/1025330969.db2.gz REMJJKRCTONMNI-MLGOLLRUSA-N 0 1 316.357 3.867 20 5 DHBDMN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2nc[nH]c2c1 ZINC000354447496 1025431645 /nfs/dbraw/zinc/43/16/45/1025431645.db2.gz OFIMYXXOGIKOOS-UHFFFAOYSA-N 0 1 324.340 3.649 20 5 DHBDMN Cc1c(CN2CCC(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000075997357 1025858264 /nfs/dbraw/zinc/85/82/64/1025858264.db2.gz QRTRRBOTKBJLOI-UHFFFAOYSA-N 0 1 302.296 3.678 20 5 DHBDMN CSc1c(F)cccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC001130858404 1026026583 /nfs/dbraw/zinc/02/65/83/1026026583.db2.gz YTBKGALEGWSVRS-UHFFFAOYSA-N 0 1 312.347 3.770 20 5 DHBDMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000089512398 1026053544 /nfs/dbraw/zinc/05/35/44/1026053544.db2.gz DBTCWWDRCYYGHY-INIZCTEOSA-N 0 1 312.369 3.907 20 5 DHBDMN Cc1ccc2c(c1)OCCC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000089513379 1026054873 /nfs/dbraw/zinc/05/48/73/1026054873.db2.gz IWZWRWOMBDUZNO-KRWDZBQOSA-N 0 1 312.369 3.907 20 5 DHBDMN COC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668039 1026060805 /nfs/dbraw/zinc/06/08/05/1026060805.db2.gz RTAOXVRCMQJLPI-WMLDXEAASA-N 0 1 314.385 3.942 20 5 DHBDMN COC[C@H](N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000089667905 1026061941 /nfs/dbraw/zinc/06/19/41/1026061941.db2.gz HCDLSAYRHOIMIY-YOEHRIQHSA-N 0 1 314.385 3.942 20 5 DHBDMN COc1cc(C)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090723786 1026085345 /nfs/dbraw/zinc/08/53/45/1026085345.db2.gz JQHGULKNOMOGTA-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CCCC[C@@H](C)N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289761060 1026163279 /nfs/dbraw/zinc/16/32/79/1026163279.db2.gz FYYFBFAXZHVOAI-GFCCVEGCSA-N 0 1 318.377 3.655 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccc(F)c(F)c1 ZINC000577191722 1027723751 /nfs/dbraw/zinc/72/37/51/1027723751.db2.gz USFXXYMKPSMSJW-OAHLLOKOSA-N 0 1 304.296 3.650 20 5 DHBDMN C[C@@H](NCc1ccc([N+](=O)[O-])c(F)c1)c1ccc2c(c1)CCO2 ZINC000933488193 1027742652 /nfs/dbraw/zinc/74/26/52/1027742652.db2.gz JAROWLKMZSZIHW-LLVKDONJSA-N 0 1 316.332 3.520 20 5 DHBDMN Cc1ccc2c(c1)[C@@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])CO2 ZINC000563419502 1028039301 /nfs/dbraw/zinc/03/93/01/1028039301.db2.gz XTEAGYXWDLUHSE-CVEARBPZSA-N 0 1 310.353 3.614 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](c1ccncc1)C1CC1 ZINC000934691233 1028074354 /nfs/dbraw/zinc/07/43/54/1028074354.db2.gz GUZDEABMOMDCHS-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2cc3cccnc3o2)C2CC2)c1 ZINC000449012013 1028260262 /nfs/dbraw/zinc/26/02/62/1028260262.db2.gz XLTKGXBGQIBFAF-UHFFFAOYSA-N 0 1 323.352 3.901 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CNc2cc3c(cn2)CCC3)c1 ZINC000815158805 1028387109 /nfs/dbraw/zinc/38/71/09/1028387109.db2.gz BAEVGVZOSBWZJF-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN CCc1nc([C@H](C)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449152743 1028406094 /nfs/dbraw/zinc/40/60/94/1028406094.db2.gz AXUUFZFNQWMEOA-NEPJUHHUSA-N 0 1 319.430 3.896 20 5 DHBDMN C[C@H](NCc1ccc([C@@H]2C[C@H]2C)o1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815562070 1028544224 /nfs/dbraw/zinc/54/42/24/1028544224.db2.gz WGPJWQUZDCMNNG-UHIISALHSA-N 0 1 315.373 3.744 20 5 DHBDMN C[C@H](NCc1ccc2ccccc2n1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566945 1028546135 /nfs/dbraw/zinc/54/61/35/1028546135.db2.gz KIDKATSJMMMMLV-LBPRGKRZSA-N 0 1 322.368 3.576 20 5 DHBDMN C[C@@H](NC1(c2ccc(F)cc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815605361 1028582073 /nfs/dbraw/zinc/58/20/73/1028582073.db2.gz RXRNMVQSXBGVIU-LLVKDONJSA-N 0 1 315.348 3.656 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC=C(c2ccco2)C1 ZINC000566646184 1028757421 /nfs/dbraw/zinc/75/74/21/1028757421.db2.gz DNSUELMVLLIPBI-XVNBXDOJSA-N 0 1 310.353 3.990 20 5 DHBDMN Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000779316558 1029094163 /nfs/dbraw/zinc/09/41/63/1029094163.db2.gz DZUOCTLRMKACQR-VIFPVBQESA-N 0 1 323.374 3.729 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CC[C@]3(C2)CCc2ccccc2O3)c1 ZINC000571008042 1029442675 /nfs/dbraw/zinc/44/26/75/1029442675.db2.gz JEVRQGIXHXTQRJ-IBGZPJMESA-N 0 1 324.380 3.565 20 5 DHBDMN O=[N+]([O-])c1ccc(CCNCc2coc(-c3ccccc3)n2)cc1 ZINC000530647075 1029939939 /nfs/dbraw/zinc/93/99/39/1029939939.db2.gz GCIURSLQPJVCLH-UHFFFAOYSA-N 0 1 323.352 3.582 20 5 DHBDMN CC[C@@H](NCc1ccnc(SC)c1)c1cccc([N+](=O)[O-])c1 ZINC000357857110 1030225742 /nfs/dbraw/zinc/22/57/42/1030225742.db2.gz UTPHHKGUFHNRTE-OAHLLOKOSA-N 0 1 317.414 3.953 20 5 DHBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357988998 1030271210 /nfs/dbraw/zinc/27/12/10/1030271210.db2.gz GFTDWNOXGXCSLD-BDJLRTHQSA-N 0 1 316.405 3.747 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000866540180 1030360227 /nfs/dbraw/zinc/36/02/27/1030360227.db2.gz KJVQBAAUIVSHQP-AWEZNQCLSA-N 0 1 313.401 3.820 20 5 DHBDMN CC[C@@H](N[C@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376794 1030462184 /nfs/dbraw/zinc/46/21/84/1030462184.db2.gz HYRIIYYXPBAMQP-HUUCEWRRSA-N 0 1 320.414 3.739 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccnn1C1CCC1 ZINC000926494001 1030764244 /nfs/dbraw/zinc/76/42/44/1030764244.db2.gz XOCITYKSQJGUGG-QWHCGFSZSA-N 0 1 314.389 3.928 20 5 DHBDMN C[C@@H]1CC[C@@]2(CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)C1 ZINC000359558463 1031028715 /nfs/dbraw/zinc/02/87/15/1031028715.db2.gz OJTVDFYGBXGOOS-SJKOYZFVSA-N 0 1 315.373 3.748 20 5 DHBDMN Cc1c([C@H](C)NCc2cccc3c2OCC3)cccc1[N+](=O)[O-] ZINC000927089766 1031082358 /nfs/dbraw/zinc/08/23/58/1031082358.db2.gz DYTKXKKSYWXBNG-ZDUSSCGKSA-N 0 1 312.369 3.689 20 5 DHBDMN Cc1noc(C)c1C[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872038676 1031423244 /nfs/dbraw/zinc/42/32/44/1031423244.db2.gz ORXZWRBDZCGDNC-ONGXEEELSA-N 0 1 321.352 3.621 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053918 1031442980 /nfs/dbraw/zinc/44/29/80/1031442980.db2.gz YLVYECSCSFRTEH-UWVGGRQHSA-N 0 1 321.352 3.793 20 5 DHBDMN C[C@@H](NC[C@]1(C)CC1(Cl)Cl)c1c(F)cccc1[N+](=O)[O-] ZINC000872075838 1031472839 /nfs/dbraw/zinc/47/28/39/1031472839.db2.gz GTLPAXLOUVWBQE-PELKAZGASA-N 0 1 321.179 3.968 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@]3(C2)OCc2ccccc23)c1 ZINC000360663225 1031513451 /nfs/dbraw/zinc/51/34/51/1031513451.db2.gz JINVAMBSXNKMAP-IBGZPJMESA-N 0 1 324.380 3.616 20 5 DHBDMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596550 1031534387 /nfs/dbraw/zinc/53/43/87/1031534387.db2.gz FUTZZWHYDZMQFQ-VXGBXAGGSA-N 0 1 315.373 3.597 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccccc1N(C)C ZINC000873055614 1031702283 /nfs/dbraw/zinc/70/22/83/1031702283.db2.gz KSFFZUKSDBEBLE-UHFFFAOYSA-N 0 1 313.401 3.567 20 5 DHBDMN COc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c(F)c1 ZINC000873076305 1031703545 /nfs/dbraw/zinc/70/35/45/1031703545.db2.gz GRTPMFDYASMJCL-UHFFFAOYSA-N 0 1 318.348 3.649 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CNc3cc4c(cn3)CCCC4)nc2c1 ZINC000877544804 1033348832 /nfs/dbraw/zinc/34/88/32/1033348832.db2.gz XUXOOXHKURQZNS-UHFFFAOYSA-N 0 1 324.340 3.622 20 5 DHBDMN C[C@@H]1C[C@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000877681275 1033409402 /nfs/dbraw/zinc/40/94/02/1033409402.db2.gz FVLFXVPPGGUZQL-RWYTXXIDSA-N 0 1 319.188 3.557 20 5 DHBDMN CCOc1ccc([C@H](C)N[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618192 1033531522 /nfs/dbraw/zinc/53/15/22/1033531522.db2.gz LVWDRNFLDJFOAD-STQMWFEESA-N 0 1 315.373 3.800 20 5 DHBDMN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cccc(F)c1F ZINC001173230230 1033605945 /nfs/dbraw/zinc/60/59/45/1033605945.db2.gz CZYFXCGWEDAGKA-LBPRGKRZSA-N 0 1 320.339 3.936 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccnc(F)c2C)cc1[N+](=O)[O-] ZINC000862284472 1033810005 /nfs/dbraw/zinc/81/00/05/1033810005.db2.gz ZORPQGRNNORMTF-GFCCVEGCSA-N 0 1 303.337 3.597 20 5 DHBDMN COCc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000178654434 1034254626 /nfs/dbraw/zinc/25/46/26/1034254626.db2.gz PYJQSDWEVHMGHH-GFCCVEGCSA-N 0 1 318.348 3.731 20 5 DHBDMN Cc1ncc(Nc2ccc3cc4ccc(N)cc4nc3c2)cn1 ZINC001176396580 1035266101 /nfs/dbraw/zinc/26/61/01/1035266101.db2.gz UZZSNPAYHOLVBV-UHFFFAOYSA-N 0 1 301.353 3.812 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](OCC2CC2)C1 ZINC000494699989 1035778971 /nfs/dbraw/zinc/77/89/71/1035778971.db2.gz AJCNDYSZYSLEOI-ZFWWWQNUSA-N 0 1 304.390 3.547 20 5 DHBDMN COc1ccc2c(c1)CCCN(Cc1ccccc1[N+](=O)[O-])C2 ZINC000609133992 1036395686 /nfs/dbraw/zinc/39/56/86/1036395686.db2.gz VPWWDHUIKCOABX-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN COC[C@@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000541776214 1036422733 /nfs/dbraw/zinc/42/27/33/1036422733.db2.gz PPQYETVHILHXBU-QGZVFWFLSA-N 0 1 318.348 3.520 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCCC2(CCOCC2)C1 ZINC000489501755 1037455397 /nfs/dbraw/zinc/45/53/97/1037455397.db2.gz QMVUTLMHYIZLHL-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[C@H](C4CC4)C3)c2c1 ZINC000763334251 1037591189 /nfs/dbraw/zinc/59/11/89/1037591189.db2.gz VTEUMGQHWSZIEY-NSHDSACASA-N 0 1 319.386 3.561 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3cccc(F)c3)C2)c(F)c1 ZINC000491075832 1037894204 /nfs/dbraw/zinc/89/42/04/1037894204.db2.gz ILNJMYOMGTZHGM-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN CN(C)c1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000590020176 1038567434 /nfs/dbraw/zinc/56/74/34/1038567434.db2.gz GRSMFXMBJUPYCJ-UHFFFAOYSA-N 0 1 313.401 3.686 20 5 DHBDMN CN(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000045733266 1038786594 /nfs/dbraw/zinc/78/65/94/1038786594.db2.gz RRTLHHNPRXQTCW-AWEZNQCLSA-N 0 1 309.366 3.510 20 5 DHBDMN C/C=C/C[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599691848 1039259964 /nfs/dbraw/zinc/25/99/64/1039259964.db2.gz UAGJPOMHWDABDF-IBUXWKBASA-N 0 1 315.373 3.914 20 5 DHBDMN C/C=C/C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000599691855 1039260256 /nfs/dbraw/zinc/26/02/56/1039260256.db2.gz UAGJPOMHWDABDF-YWVDXFKGSA-N 0 1 315.373 3.914 20 5 DHBDMN COC[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000594502869 1039803919 /nfs/dbraw/zinc/80/39/19/1039803919.db2.gz RVJTZKRYJBXZJD-IRXDYDNUSA-N 0 1 312.369 3.559 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@H]1CCc2ccc(O)cc21 ZINC000595084414 1040076129 /nfs/dbraw/zinc/07/61/29/1040076129.db2.gz FOTYKXAFXLLELM-SJORKVTESA-N 0 1 310.353 3.565 20 5 DHBDMN COc1cccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595409906 1040131228 /nfs/dbraw/zinc/13/12/28/1040131228.db2.gz GZBJZKIPCPQELD-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN CC[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000595408165 1040131621 /nfs/dbraw/zinc/13/16/21/1040131621.db2.gz IKLOVKJMIACIEA-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000595545532 1040170874 /nfs/dbraw/zinc/17/08/74/1040170874.db2.gz IZYLCUDRQHDQLQ-UHFFFAOYSA-N 0 1 310.369 3.512 20 5 DHBDMN Cc1noc(CN2CCC[C@H]2c2c(C)cccc2C)c1[N+](=O)[O-] ZINC000595599781 1040200716 /nfs/dbraw/zinc/20/07/16/1040200716.db2.gz CHIRROPTUMJAMB-AWEZNQCLSA-N 0 1 315.373 3.845 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H](CCF)C1 ZINC000595756839 1040243338 /nfs/dbraw/zinc/24/33/38/1040243338.db2.gz XTAPUBCHJNWAGF-NSHDSACASA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595785290 1040255402 /nfs/dbraw/zinc/25/54/02/1040255402.db2.gz DACGJCBYMJMLSA-WMLDXEAASA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595787654 1040256285 /nfs/dbraw/zinc/25/62/85/1040256285.db2.gz FQSRPGYBVJXGIT-GUYCJALGSA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](C4CCC4)C3)nc2c1 ZINC000595831557 1040266689 /nfs/dbraw/zinc/26/66/89/1040266689.db2.gz FTHDUDGOCWYCML-ZDUSSCGKSA-N 0 1 315.373 3.748 20 5 DHBDMN Cc1cc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])s1 ZINC000596054649 1040291768 /nfs/dbraw/zinc/29/17/68/1040291768.db2.gz NSZVOGAPGXVEKN-ZDUSSCGKSA-N 0 1 321.402 3.807 20 5 DHBDMN CCS[C@@H]1CC[C@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000174350036 1040629248 /nfs/dbraw/zinc/62/92/48/1040629248.db2.gz GIGGLRIVAARAGA-UONOGXRCSA-N 0 1 312.410 3.840 20 5 DHBDMN CN(CCOc1ccccc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000761240330 1040905882 /nfs/dbraw/zinc/90/58/82/1040905882.db2.gz WGIYCADGGBJSEH-UHFFFAOYSA-N 0 1 320.776 3.759 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H](c2cccnc2)C1 ZINC000602855938 1041265357 /nfs/dbraw/zinc/26/53/57/1041265357.db2.gz QOZJJFKJXZJMSE-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000184222984 335064177 /nfs/dbraw/zinc/06/41/77/335064177.db2.gz RKPQQCPDRJNGHC-RISCZKNCSA-N 0 1 308.353 3.507 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289484377 131390086 /nfs/dbraw/zinc/39/00/86/131390086.db2.gz IOROJLZPPYOOGI-COXVUDFISA-N 0 1 316.401 3.689 20 5 DHBDMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449463613 332237633 /nfs/dbraw/zinc/23/76/33/332237633.db2.gz WPTHBRPZDZPNJA-JQWIXIFHSA-N 0 1 302.296 3.758 20 5 DHBDMN CC[C@@H](NCc1cc(F)cc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000179596780 333153060 /nfs/dbraw/zinc/15/30/60/333153060.db2.gz BARRWXSEEXUDQR-QGZVFWFLSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1cc([C@H](C)NCc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000323538972 333378894 /nfs/dbraw/zinc/37/88/94/333378894.db2.gz ZMONQYLPENDFIM-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414281554 333932980 /nfs/dbraw/zinc/93/29/80/333932980.db2.gz GETQRBBCARILOO-IACUBPJLSA-N 0 1 310.369 3.925 20 5 DHBDMN C/C(=C/c1nc([C@@H](N)CC(C)C)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414624465 334045643 /nfs/dbraw/zinc/04/56/43/334045643.db2.gz VNRILOMPIUBMRQ-FPAJZGIOSA-N 0 1 316.361 3.584 20 5 DHBDMN Cc1ccccc1[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531993935 334367192 /nfs/dbraw/zinc/36/71/92/334367192.db2.gz QIKZJTRWKPRFSZ-PBHICJAKSA-N 0 1 314.385 3.596 20 5 DHBDMN CCC(CC)[C@H](NCc1c([N+](=O)[O-])ncn1C)c1cccs1 ZINC000341599268 334460567 /nfs/dbraw/zinc/46/05/67/334460567.db2.gz UHWBQPPZHRWYFK-AWEZNQCLSA-N 0 1 322.434 3.657 20 5 DHBDMN Cc1c(CN[C@@H](c2cnn(C)c2)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000342304633 334526896 /nfs/dbraw/zinc/52/68/96/334526896.db2.gz QGAGBBOMZYBBJQ-INIZCTEOSA-N 0 1 316.405 3.514 20 5 DHBDMN CC[C@@H](N[C@@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401265 334862671 /nfs/dbraw/zinc/86/26/71/334862671.db2.gz LGUXIYFBEIHZJG-QZTJIDSGSA-N 0 1 312.369 3.907 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCCCC1CCOCC1)CC2 ZINC000332059102 336157003 /nfs/dbraw/zinc/15/70/03/336157003.db2.gz WXMJRWQBIRTHDA-UHFFFAOYSA-N 0 1 318.417 3.550 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(CCCCC1CCOCC1)CC2 ZINC000332059102 336157004 /nfs/dbraw/zinc/15/70/04/336157004.db2.gz WXMJRWQBIRTHDA-UHFFFAOYSA-N 0 1 318.417 3.550 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1NCc1ccc(CN(C)C)c(F)c1 ZINC000301891336 336336612 /nfs/dbraw/zinc/33/66/12/336336612.db2.gz RIRDNPVZMSWQRJ-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN Cc1cc(N(C)CCc2ccncc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302147803 336350831 /nfs/dbraw/zinc/35/08/31/336350831.db2.gz HBVMKRUXDFXZBG-UHFFFAOYSA-N 0 1 322.368 3.525 20 5 DHBDMN Cc1cc(N2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302199276 336353499 /nfs/dbraw/zinc/35/34/99/336353499.db2.gz UOXNYMWXGGBRLR-UHFFFAOYSA-N 0 1 305.337 3.972 20 5 DHBDMN Cc1c(CNCc2cnc(C(C)C)s2)cccc1[N+](=O)[O-] ZINC000359821987 336688781 /nfs/dbraw/zinc/68/87/81/336688781.db2.gz YJIVJPQRZMLRSU-UHFFFAOYSA-N 0 1 305.403 3.773 20 5 DHBDMN CC(C)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000377239251 337049184 /nfs/dbraw/zinc/04/91/84/337049184.db2.gz MGISCYHPZNYCJZ-CVEARBPZSA-N 0 1 318.417 3.577 20 5 DHBDMN O=[N+]([O-])c1cc(CNC[C@H]2CC[C@H](c3ccccc3)O2)cs1 ZINC000377397651 337051901 /nfs/dbraw/zinc/05/19/01/337051901.db2.gz KKIJMNHZIWEHGS-HUUCEWRRSA-N 0 1 318.398 3.666 20 5 DHBDMN COc1ccc(CNCc2cc(Cl)cs2)cc1[N+](=O)[O-] ZINC000486970738 337147338 /nfs/dbraw/zinc/14/73/38/337147338.db2.gz RUWZIKQZUGNREP-UHFFFAOYSA-N 0 1 312.778 3.608 20 5 DHBDMN CC1(C)C[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000119684441 337864340 /nfs/dbraw/zinc/86/43/40/337864340.db2.gz LBDLWFXRZZDKKF-ZDUSSCGKSA-N 0 1 312.797 3.684 20 5 DHBDMN C[C@H](c1ccco1)N(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233156 338013712 /nfs/dbraw/zinc/01/37/12/338013712.db2.gz SEQQIQNXOPASKU-CYBMUJFWSA-N 0 1 316.357 3.792 20 5 DHBDMN CSC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000429287642 338076490 /nfs/dbraw/zinc/07/64/90/338076490.db2.gz NKSWSHYXCIRMEE-LLVKDONJSA-N 0 1 314.838 3.823 20 5 DHBDMN COc1cccc(CSCc2cc(O)ccc2[N+](=O)[O-])c1 ZINC000436473012 338273426 /nfs/dbraw/zinc/27/34/26/338273426.db2.gz DLDLUBBSNWLZPV-UHFFFAOYSA-N 0 1 305.355 3.742 20 5 DHBDMN O=[N+]([O-])c1ccc2oc(CN3CC[C@H]3Cc3ccccc3)nc2c1 ZINC000437827962 338322780 /nfs/dbraw/zinc/32/27/80/338322780.db2.gz IEEMTUPYSBLTIS-AWEZNQCLSA-N 0 1 323.352 3.553 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])cc1F)CC1(c2ccccc2)CC1 ZINC000438260063 338338018 /nfs/dbraw/zinc/33/80/18/338338018.db2.gz OERADNGNDTUOCW-UHFFFAOYSA-N 0 1 314.360 3.898 20 5 DHBDMN Cc1c(CN(C)CCOCc2ccccc2)cccc1[N+](=O)[O-] ZINC000464853929 339158073 /nfs/dbraw/zinc/15/80/73/339158073.db2.gz VJYFWRVLZJIAJD-UHFFFAOYSA-N 0 1 314.385 3.552 20 5 DHBDMN CC(C)[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000507151186 340209655 /nfs/dbraw/zinc/20/96/55/340209655.db2.gz BGYXJWWTWOIVDK-ZDUSSCGKSA-N 0 1 314.332 3.817 20 5 DHBDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000075896733 341188457 /nfs/dbraw/zinc/18/84/57/341188457.db2.gz XNNWENGZPZBZKI-LBPRGKRZSA-N 0 1 320.414 3.728 20 5 DHBDMN COc1ccccc1C[C@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000075896733 341188458 /nfs/dbraw/zinc/18/84/58/341188458.db2.gz XNNWENGZPZBZKI-LBPRGKRZSA-N 0 1 320.414 3.728 20 5 DHBDMN COc1ccc(CN(C)Cc2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000549187935 341288348 /nfs/dbraw/zinc/28/83/48/341288348.db2.gz DQRDPCHQAJFXEZ-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000549997617 341308442 /nfs/dbraw/zinc/30/84/42/341308442.db2.gz NRVCIDVUFUMEEA-SNVBAGLBSA-N 0 1 306.749 3.805 20 5 DHBDMN CSc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000357837953 518175442 /nfs/dbraw/zinc/17/54/42/518175442.db2.gz DQPHFRLGHQLXJH-NSHDSACASA-N 0 1 303.387 3.563 20 5 DHBDMN CCCO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267054481 520286259 /nfs/dbraw/zinc/28/62/59/520286259.db2.gz RKWVWWLAEPZIKB-HNNXBMFYSA-N 0 1 310.369 3.515 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000266460873 522485460 /nfs/dbraw/zinc/48/54/60/522485460.db2.gz LYIUUPLRMXKYCD-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1ccc(NC[C@@H](c2ccsc2)N(C)C)c([N+](=O)[O-])c1 ZINC000338292592 525280728 /nfs/dbraw/zinc/28/07/28/525280728.db2.gz CWSNUBRTEAXZFM-HNNXBMFYSA-N 0 1 305.403 3.680 20 5 DHBDMN Cc1c([C@H](C)N[C@@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000130439066 525922498 /nfs/dbraw/zinc/92/24/98/525922498.db2.gz VWJRJYPSRIMLME-BLLLJJGKSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1ccc([C@H](C)NCc2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000181823601 525930450 /nfs/dbraw/zinc/93/04/50/525930450.db2.gz SPCWOFOBGAHXRB-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN C[C@H](NCc1cccc2c1NCCC2)c1ccccc1[N+](=O)[O-] ZINC000894370206 1013158894 /nfs/dbraw/zinc/15/88/94/1013158894.db2.gz HFIJJKRXVWTADK-ZDUSSCGKSA-N 0 1 311.385 3.804 20 5 DHBDMN C[N@@H+](CCc1cccc(Cl)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472316 1013427210 /nfs/dbraw/zinc/42/72/10/1013427210.db2.gz TZUHQQZKZSUYTM-UHFFFAOYSA-N 0 1 304.777 3.923 20 5 DHBDMN CC(C)C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083213491 1014001519 /nfs/dbraw/zinc/00/15/19/1014001519.db2.gz CBKSZBXDKIHHJM-UHFFFAOYSA-N 0 1 303.362 3.604 20 5 DHBDMN O=[N+]([O-])c1c(F)cccc1NC[C@H](c1ccco1)N1CCCC1 ZINC000049980465 1014044977 /nfs/dbraw/zinc/04/49/77/1014044977.db2.gz YKXDCOZXRKOKII-CQSZACIVSA-N 0 1 319.336 3.576 20 5 DHBDMN CCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(C)C ZINC000877983839 1033542787 /nfs/dbraw/zinc/54/27/87/1033542787.db2.gz UVTKYBWBWHLTQJ-UHFFFAOYSA-N 0 1 324.768 3.529 20 5 DHBDMN CCC1CCC([N@@H+](C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000593732673 974984605 /nfs/dbraw/zinc/98/46/05/974984605.db2.gz QTSOAVOUCJSZRP-UHFFFAOYSA-N 0 1 320.389 3.694 20 5 DHBDMN CC(C)(C)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000427910707 1014552625 /nfs/dbraw/zinc/55/26/25/1014552625.db2.gz HMDFZQYZLVRNAS-UHFFFAOYSA-N 0 1 314.341 3.850 20 5 DHBDMN CSCC[C@H](C)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000126510730 1014740885 /nfs/dbraw/zinc/74/08/85/1014740885.db2.gz MTEARURSQYNRER-JTQLQIEISA-N 0 1 302.827 3.822 20 5 DHBDMN O=[N+]([O-])c1sccc1NC[C@H](c1cccs1)N1CCCC1 ZINC000610514233 1015052680 /nfs/dbraw/zinc/05/26/80/1015052680.db2.gz ZRZQIMUQWSRMTR-GFCCVEGCSA-N 0 1 323.443 3.967 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000610517925 1015094581 /nfs/dbraw/zinc/09/45/81/1015094581.db2.gz QALLOMGZLUTQBC-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2[nH]nc3ccccc32)cc1[N+](=O)[O-] ZINC000610517925 1015094592 /nfs/dbraw/zinc/09/45/92/1015094592.db2.gz QALLOMGZLUTQBC-GFCCVEGCSA-N 0 1 310.357 3.630 20 5 DHBDMN Cc1ccc([C@H](C)NCc2n[nH]c3ccccc32)cc1[N+](=O)[O-] ZINC000610517926 1015095336 /nfs/dbraw/zinc/09/53/36/1015095336.db2.gz QALLOMGZLUTQBC-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN Cc1ccc([C@H](C)NCc2[nH]nc3ccccc32)cc1[N+](=O)[O-] ZINC000610517926 1015095343 /nfs/dbraw/zinc/09/53/43/1015095343.db2.gz QALLOMGZLUTQBC-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H](c2nccs2)C1 ZINC000895583629 1015211453 /nfs/dbraw/zinc/21/14/53/1015211453.db2.gz MISGIMWXPGNWIP-PKXJPQMGSA-N 0 1 315.398 3.554 20 5 DHBDMN COc1ccc(CN2CCC[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000051180456 1015254377 /nfs/dbraw/zinc/25/43/77/1015254377.db2.gz ADHFVIUBSPRYIG-INIZCTEOSA-N 0 1 312.369 3.941 20 5 DHBDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000277133761 1015904714 /nfs/dbraw/zinc/90/47/14/1015904714.db2.gz CUAAUKKFAWQQEB-RKDXNWHRSA-N 0 1 307.329 3.539 20 5 DHBDMN CC(C)(CNC(=O)c1cc(O)cc([N+](=O)[O-])c1)C1=CCCCC1 ZINC000478922757 1016802943 /nfs/dbraw/zinc/80/29/43/1016802943.db2.gz YEHNDYSRXRDBHI-UHFFFAOYSA-N 0 1 318.373 3.557 20 5 DHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000339076137 1016808565 /nfs/dbraw/zinc/80/85/65/1016808565.db2.gz VDADTQHHURVHSN-JTQLQIEISA-N 0 1 306.749 3.805 20 5 DHBDMN C[C@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000339113728 1016814789 /nfs/dbraw/zinc/81/47/89/1016814789.db2.gz LDZXIVYXAHCAHX-NSHDSACASA-N 0 1 312.325 3.897 20 5 DHBDMN CN(Cc1c2ccccc2cc2ccccc21)C(=O)c1ccn[nH]1 ZINC001146835439 1032255528 /nfs/dbraw/zinc/25/55/28/1032255528.db2.gz WLYDSBPZGKASAV-UHFFFAOYSA-N 0 1 315.376 3.988 20 5 DHBDMN Cc1ccc(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cc1[N+](=O)[O-] ZINC000295097547 1032275226 /nfs/dbraw/zinc/27/52/26/1032275226.db2.gz SIPOHXFUCLMDQN-CZUORRHYSA-N 0 1 312.369 3.905 20 5 DHBDMN CC[N@@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000760537318 1032684657 /nfs/dbraw/zinc/68/46/57/1032684657.db2.gz NJMPWAGDVKQVQT-UHFFFAOYSA-N 0 1 322.796 3.677 20 5 DHBDMN C[C@H](N[C@H]1CCc2ccc(Cl)nc21)c1ccc([N+](=O)[O-])cc1 ZINC000857913478 1032716283 /nfs/dbraw/zinc/71/62/83/1032716283.db2.gz LEIVFDVNJBULNM-HZMBPMFUSA-N 0 1 317.776 3.981 20 5 DHBDMN CC(C)[C@H](CC(F)(F)F)NCc1c(F)cccc1[N+](=O)[O-] ZINC000445890117 1018003056 /nfs/dbraw/zinc/00/30/56/1018003056.db2.gz KYAOCSJOLLFHCV-NSHDSACASA-N 0 1 308.275 3.801 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000446140705 1018068218 /nfs/dbraw/zinc/06/82/18/1018068218.db2.gz SOEPVQZGRGJSTN-UHFFFAOYSA-N 0 1 308.219 3.552 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CCO)c1cccs1 ZINC000766136668 1018478080 /nfs/dbraw/zinc/47/80/80/1018478080.db2.gz QGQABDKFDZCXOH-SWLSCSKDSA-N 0 1 320.414 3.739 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000704229941 1018530283 /nfs/dbraw/zinc/53/02/83/1018530283.db2.gz AGXWQISAVWYPCL-OLZOCXBDSA-N 0 1 312.822 3.718 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccco3)C2)c(Cl)c1 ZINC000611785000 1018658931 /nfs/dbraw/zinc/65/89/31/1018658931.db2.gz SJPJXLFWOFNCCJ-LBPRGKRZSA-N 0 1 306.749 3.831 20 5 DHBDMN Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000611265356 1019428937 /nfs/dbraw/zinc/42/89/37/1019428937.db2.gz AHPDSBQFUQXZTA-QGZVFWFLSA-N 0 1 312.369 3.946 20 5 DHBDMN Cc1ccc([C@@H](C)Nc2cnn(-c3ccncc3)c2)cc1[N+](=O)[O-] ZINC000611480942 1019500088 /nfs/dbraw/zinc/50/00/88/1019500088.db2.gz YJZRPGSLBRSHNI-CYBMUJFWSA-N 0 1 323.356 3.657 20 5 DHBDMN Cc1cc(N2CC[C@@H](C)[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931012 1019882342 /nfs/dbraw/zinc/88/23/42/1019882342.db2.gz FPWNLYBBWMBJBS-YGRLFVJLSA-N 0 1 303.337 3.636 20 5 DHBDMN CN(CCc1ccccc1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731669170 1020134508 /nfs/dbraw/zinc/13/45/08/1020134508.db2.gz CCCVJHMOASGQDC-UHFFFAOYSA-N 0 1 306.312 3.548 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc3[nH]ccc31)CC2 ZINC000093338416 1020147858 /nfs/dbraw/zinc/14/78/58/1020147858.db2.gz LTHIRMUZKRMRFO-UHFFFAOYSA-N 0 1 307.353 3.634 20 5 DHBDMN COc1ccc([C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000155211744 1020201267 /nfs/dbraw/zinc/20/12/67/1020201267.db2.gz MDVOTSFTCIXHEH-CQSZACIVSA-N 0 1 318.398 3.654 20 5 DHBDMN COc1ccc([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000155211744 1020201277 /nfs/dbraw/zinc/20/12/77/1020201277.db2.gz MDVOTSFTCIXHEH-CQSZACIVSA-N 0 1 318.398 3.654 20 5 DHBDMN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C1Cc2ccccc2C1 ZINC000732197702 1020205737 /nfs/dbraw/zinc/20/57/37/1020205737.db2.gz WOZDNFQRFHNFBA-UHFFFAOYSA-N 0 1 316.788 3.847 20 5 DHBDMN Cc1ccc(CN[C@H](C)c2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000732819810 1020288790 /nfs/dbraw/zinc/28/87/90/1020288790.db2.gz AZKYAORHWOLNSQ-CYBMUJFWSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1cc(NC[C@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302154217 1020415206 /nfs/dbraw/zinc/41/52/06/1020415206.db2.gz ILDQXJRMRZHOOL-SFHVURJKSA-N 0 1 323.352 3.597 20 5 DHBDMN Cc1ccc(NC[C@H]2CCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000715647174 1020553980 /nfs/dbraw/zinc/55/39/80/1020553980.db2.gz VXOLIDGUNPPGEK-MRXNPFEDSA-N 0 1 311.385 3.590 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000338903442 1020613672 /nfs/dbraw/zinc/61/36/72/1020613672.db2.gz KUEAHRKHNBEKOA-CQSZACIVSA-N 0 1 304.371 3.699 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000338903442 1020613676 /nfs/dbraw/zinc/61/36/76/1020613676.db2.gz KUEAHRKHNBEKOA-CQSZACIVSA-N 0 1 304.371 3.699 20 5 DHBDMN COCCN(Cc1cc([N+](=O)[O-])ccc1Cl)C1CCCC1 ZINC000735491646 1020743778 /nfs/dbraw/zinc/74/37/78/1020743778.db2.gz OHYCVXOWKXPKIM-UHFFFAOYSA-N 0 1 312.797 3.639 20 5 DHBDMN CC(C)O[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000581548926 1020891202 /nfs/dbraw/zinc/89/12/02/1020891202.db2.gz ATJQUYAYLVHDHA-OAHLLOKOSA-N 0 1 306.406 3.718 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000338927787 1021375417 /nfs/dbraw/zinc/37/54/17/1021375417.db2.gz CTDACNSLYWVXTA-MRXNPFEDSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000338927787 1021375430 /nfs/dbraw/zinc/37/54/30/1021375430.db2.gz CTDACNSLYWVXTA-MRXNPFEDSA-N 0 1 316.332 3.777 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000338927787 1021375446 /nfs/dbraw/zinc/37/54/46/1021375446.db2.gz CTDACNSLYWVXTA-MRXNPFEDSA-N 0 1 316.332 3.777 20 5 DHBDMN Cc1nc2c(n1Cc1ccc(Cl)cc1[N+](=O)[O-])CCCC2 ZINC000130549762 1021390999 /nfs/dbraw/zinc/39/09/99/1021390999.db2.gz JVLYEWJSAJOZMO-UHFFFAOYSA-N 0 1 305.765 3.680 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000194515101 1021394678 /nfs/dbraw/zinc/39/46/78/1021394678.db2.gz LZIIOFFEJBFBHM-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN C[C@@H](NCc1nccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000746049219 1021834578 /nfs/dbraw/zinc/83/45/78/1021834578.db2.gz MYLQSHMWFBCREB-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN O=C(C[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000122660045 1021899591 /nfs/dbraw/zinc/89/95/91/1021899591.db2.gz VAXNKWRVTREMCD-GOSISDBHSA-N 0 1 324.380 3.832 20 5 DHBDMN CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460602 1022081543 /nfs/dbraw/zinc/08/15/43/1022081543.db2.gz JYMLNUBBULGUSJ-IRXDYDNUSA-N 0 1 318.348 3.508 20 5 DHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416294618 1022242072 /nfs/dbraw/zinc/24/20/72/1022242072.db2.gz SAWXAXSXIUQYIV-GJZGRUSLSA-N 0 1 320.389 3.587 20 5 DHBDMN O=[N+]([O-])c1ccc(NCc2nc3ccc(Cl)cc3[nH]2)c(F)c1 ZINC000609497161 1022291662 /nfs/dbraw/zinc/29/16/62/1022291662.db2.gz XWVUVJYQRNOHNK-UHFFFAOYSA-N 0 1 320.711 3.876 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CCc2ccccc2CC1 ZINC000609705574 1022336812 /nfs/dbraw/zinc/33/68/12/1022336812.db2.gz HZWDADYJRYQCHM-UHFFFAOYSA-N 0 1 316.788 3.849 20 5 DHBDMN COc1cc(CNCc2ccc([N+](=O)[O-])c(Cl)c2)ccc1C ZINC000131046694 1022572334 /nfs/dbraw/zinc/57/23/34/1022572334.db2.gz SNCQDDCGGJDSNA-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN COc1ccc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000584725932 1022666710 /nfs/dbraw/zinc/66/67/10/1022666710.db2.gz LRGKJWSTCWYYCA-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN Cc1c(CNCc2nccc3ccccc32)cccc1[N+](=O)[O-] ZINC000616483673 1022722461 /nfs/dbraw/zinc/72/24/61/1022722461.db2.gz ZIMKJQHARDTCBJ-UHFFFAOYSA-N 0 1 307.353 3.741 20 5 DHBDMN CCc1ccc(N(CC)C(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000772113098 1023514726 /nfs/dbraw/zinc/51/47/26/1023514726.db2.gz JGWFVPSUEXFIBY-UHFFFAOYSA-N 0 1 314.341 3.530 20 5 DHBDMN CCN(Cc1ccc(OC)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000048054383 1023704100 /nfs/dbraw/zinc/70/41/00/1023704100.db2.gz KKDAGVGBYWXWKX-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000268944982 1024200607 /nfs/dbraw/zinc/20/06/07/1024200607.db2.gz BAALADOJAMJIBP-RHSMWYFYSA-N 0 1 314.385 3.678 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)C(C)(C)c1ccccc1 ZINC000585754379 1024594584 /nfs/dbraw/zinc/59/45/84/1024594584.db2.gz KWZKZGBRNFVEOX-UHFFFAOYSA-N 0 1 314.385 3.971 20 5 DHBDMN Cc1c2ccccc2oc1[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000791969564 1024607155 /nfs/dbraw/zinc/60/71/55/1024607155.db2.gz SLGIDVAJVAXHLS-SNVBAGLBSA-N 0 1 314.297 3.896 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cccc(Cl)c2N)cc1[N+](=O)[O-] ZINC000877074118 1033230304 /nfs/dbraw/zinc/23/03/04/1033230304.db2.gz ZLVXTIDDIPPSSO-NSHDSACASA-N 0 1 319.792 3.990 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3cc[nH]c3n1)CCC2 ZINC000353638890 1025171125 /nfs/dbraw/zinc/17/11/25/1025171125.db2.gz BVJUPUAIIKCXDW-QGZVFWFLSA-N 0 1 322.368 3.638 20 5 DHBDMN CCC[C@@H](NCc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000353872480 1025273809 /nfs/dbraw/zinc/27/38/09/1025273809.db2.gz VVUQZBGSQREOOC-QGZVFWFLSA-N 0 1 324.384 3.874 20 5 DHBDMN CCOc1cccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000171129205 1025299689 /nfs/dbraw/zinc/29/96/89/1025299689.db2.gz NXJYBYWSULYZEI-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN C[C@H](CNCc1csc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000897469562 1025404361 /nfs/dbraw/zinc/40/43/61/1025404361.db2.gz MOEJLNXHLTZPEY-LLVKDONJSA-N 0 1 317.414 3.822 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217422 1025454563 /nfs/dbraw/zinc/45/45/63/1025454563.db2.gz VNFBZKSGLNBVRI-VXGBXAGGSA-N 0 1 314.389 3.722 20 5 DHBDMN O=[N+]([O-])c1ncccc1CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000886062291 1025460116 /nfs/dbraw/zinc/46/01/16/1025460116.db2.gz LSUFTWJNUZSQPB-MRXNPFEDSA-N 0 1 315.348 3.760 20 5 DHBDMN O=[N+]([O-])c1ncccc1CN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000886062290 1025460577 /nfs/dbraw/zinc/46/05/77/1025460577.db2.gz LSUFTWJNUZSQPB-INIZCTEOSA-N 0 1 315.348 3.760 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC(OC3CCCCC3)CC2)c1 ZINC000125451752 1025474850 /nfs/dbraw/zinc/47/48/50/1025474850.db2.gz KILVCTRDQIXXEA-UHFFFAOYSA-N 0 1 318.417 3.909 20 5 DHBDMN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H](CC)c1ccccc1 ZINC000355554443 1025763363 /nfs/dbraw/zinc/76/33/63/1025763363.db2.gz NHRWVWMJHIXYFF-OAHLLOKOSA-N 0 1 316.405 3.692 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000075996692 1025854838 /nfs/dbraw/zinc/85/48/38/1025854838.db2.gz DOVDKMBSICTOGM-JTQLQIEISA-N 0 1 302.296 3.930 20 5 DHBDMN Cc1c([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000089513252 1026051016 /nfs/dbraw/zinc/05/10/16/1026051016.db2.gz GAPFPMPHBVZDGE-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@@]2(CCCOC2)C1 ZINC000747532693 1026416322 /nfs/dbraw/zinc/41/63/22/1026416322.db2.gz QTJYHOUGVLPSFB-MRXNPFEDSA-N 0 1 324.808 3.641 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CCC[C@]3(CCCOC3)C2)c1 ZINC000747532731 1026417370 /nfs/dbraw/zinc/41/73/70/1026417370.db2.gz RPPNXDQHCXYVBG-INIZCTEOSA-N 0 1 324.808 3.641 20 5 DHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000237016903 1026718883 /nfs/dbraw/zinc/71/88/83/1026718883.db2.gz JUONFUAVSRNGJM-MRXNPFEDSA-N 0 1 315.329 3.744 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1n[nH]c(C(C)(C)C)n1 ZINC000413423660 1026852259 /nfs/dbraw/zinc/85/22/59/1026852259.db2.gz ZQWXMDMHCIOQSX-UHFFFAOYSA-N 0 1 323.784 3.584 20 5 DHBDMN CC[C@@H](NCc1cc(OC)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000293730253 1026852542 /nfs/dbraw/zinc/85/25/42/1026852542.db2.gz ZFGSFSHERIMQPF-QGZVFWFLSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000571997570 1027165047 /nfs/dbraw/zinc/16/50/47/1027165047.db2.gz UCEPVIXBMAEPDA-WFASDCNBSA-N 0 1 324.808 3.639 20 5 DHBDMN CC(C)(C)OC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000932170171 1027392803 /nfs/dbraw/zinc/39/28/03/1027392803.db2.gz DHZKNKJECKNJRF-ZDUSSCGKSA-N 0 1 310.369 3.513 20 5 DHBDMN CC[C@H](CSC)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576606588 1027638096 /nfs/dbraw/zinc/63/80/96/1027638096.db2.gz NGXYUUXLIZQWHF-GFCCVEGCSA-N 0 1 302.827 3.822 20 5 DHBDMN C[C@H]1N(Cc2ccc(Cl)cc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368834677 1028413225 /nfs/dbraw/zinc/41/32/25/1028413225.db2.gz PDRKFVNJOYEZBR-GFCCVEGCSA-N 0 1 324.808 3.639 20 5 DHBDMN Cc1c(CN(C)[C@@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000369035332 1028436998 /nfs/dbraw/zinc/43/69/98/1028436998.db2.gz LOHWGBYLIZLBLS-QGZVFWFLSA-N 0 1 311.385 3.808 20 5 DHBDMN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)c1c(F)cncc1F ZINC000449319161 1028547565 /nfs/dbraw/zinc/54/75/65/1028547565.db2.gz JAUVHIIIHKYEAO-MNOVXSKESA-N 0 1 321.327 3.550 20 5 DHBDMN Cc1csc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449494678 1028696137 /nfs/dbraw/zinc/69/61/37/1028696137.db2.gz BFDRAVNJNYZMQQ-CQSZACIVSA-N 0 1 317.414 3.739 20 5 DHBDMN CN(Cc1ccccc1[N+](=O)[O-])Cc1cccc2cccnc21 ZINC000026349283 1029119377 /nfs/dbraw/zinc/11/93/77/1029119377.db2.gz CEACNOMYPICUGQ-UHFFFAOYSA-N 0 1 307.353 3.775 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nccs3)C2)cc1F ZINC000374774947 1029457870 /nfs/dbraw/zinc/45/78/70/1029457870.db2.gz HHKMCOBAMRXPPY-GFCCVEGCSA-N 0 1 321.377 3.570 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@H](c3ccc(F)cc3)C2)cs1 ZINC000530280384 1029801179 /nfs/dbraw/zinc/80/11/79/1029801179.db2.gz GUVRKKBFMCZSQN-ZDUSSCGKSA-N 0 1 306.362 3.785 20 5 DHBDMN C[C@H](N[C@@H](C)c1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000924796895 1030190403 /nfs/dbraw/zinc/19/04/03/1030190403.db2.gz DOUVFBWOWHBCPA-QWRGUYRKSA-N 0 1 304.321 3.851 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccc(F)nc3)C2)cc1 ZINC000824820614 1030648822 /nfs/dbraw/zinc/64/88/22/1030648822.db2.gz JFPITPJTIZCBGZ-OAHLLOKOSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1nc(C)c(CNC(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000291815756 1030654419 /nfs/dbraw/zinc/65/44/19/1030654419.db2.gz YQONFTPPKOZPSH-UHFFFAOYSA-N 0 1 305.403 3.693 20 5 DHBDMN CC1(C)CC[C@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000360124917 1031286128 /nfs/dbraw/zinc/28/61/28/1031286128.db2.gz VMEDRXNXRUYJCD-MRXNPFEDSA-N 0 1 304.390 3.517 20 5 DHBDMN CC(F)(F)c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000293067372 1031312553 /nfs/dbraw/zinc/31/25/53/1031312553.db2.gz VEJICXJFHUBOGP-UHFFFAOYSA-N 0 1 306.312 3.996 20 5 DHBDMN Cc1nc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])sc1C ZINC000872043871 1031431329 /nfs/dbraw/zinc/43/13/29/1031431329.db2.gz NCNXFIAINVDHPF-JTQLQIEISA-N 0 1 323.393 3.701 20 5 DHBDMN C[C@@H](N[C@@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049439 1031435639 /nfs/dbraw/zinc/43/56/39/1031435639.db2.gz SSHPKZDXRLJZNZ-NXEZZACHSA-N 0 1 302.296 3.962 20 5 DHBDMN C[C@@H](NC[C@H](C)c1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061120 1031454425 /nfs/dbraw/zinc/45/44/25/1031454425.db2.gz BUOAEKWERCHHKP-VHSXEESVSA-N 0 1 309.366 3.645 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1C[C@H]1C(F)(F)F ZINC000872092526 1031490563 /nfs/dbraw/zinc/49/05/63/1031490563.db2.gz OMUMBTIBJHLIHH-AVPPRXQKSA-N 0 1 320.336 3.918 20 5 DHBDMN Cc1c(CN[C@@H]2C[C@@H](C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000873131646 1031720938 /nfs/dbraw/zinc/72/09/38/1031720938.db2.gz SIZWRRPXLRCFGW-MLGOLLRUSA-N 0 1 312.369 3.905 20 5 DHBDMN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1nccc2ccccc21 ZINC000561400945 1031881069 /nfs/dbraw/zinc/88/10/69/1031881069.db2.gz FKHFHJMPYKLHKE-ZDUSSCGKSA-N 0 1 307.353 3.994 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000361412768 1031914112 /nfs/dbraw/zinc/91/41/12/1031914112.db2.gz MPOABMJFPYXVSG-OAHLLOKOSA-N 0 1 312.797 3.639 20 5 DHBDMN CCCC[C@@H](C)N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878632720 1033776614 /nfs/dbraw/zinc/77/66/14/1033776614.db2.gz MJNWWRLAPITFQN-GFCCVEGCSA-N 0 1 318.377 3.655 20 5 DHBDMN CCc1onc(C)c1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927134358 1034077467 /nfs/dbraw/zinc/07/74/67/1034077467.db2.gz IKENWXGPBVLOBR-INIZCTEOSA-N 0 1 315.373 3.621 20 5 DHBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000042098184 1034266297 /nfs/dbraw/zinc/26/62/97/1034266297.db2.gz YDFTYMSPFHIBMP-CQSZACIVSA-N 0 1 309.366 3.510 20 5 DHBDMN CC[C@@H](NCc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000185566162 1034556839 /nfs/dbraw/zinc/55/68/39/1034556839.db2.gz AAEMPXZNSSCBPT-MRXNPFEDSA-N 0 1 304.321 3.680 20 5 DHBDMN C[C@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756519 1034961441 /nfs/dbraw/zinc/96/14/41/1034961441.db2.gz NMVGVPINYXDSMP-GWCFXTLKSA-N 0 1 302.296 3.758 20 5 DHBDMN C[C@@H]1[C@@H](C(F)(F)F)CCCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000481756521 1034961492 /nfs/dbraw/zinc/96/14/92/1034961492.db2.gz NMVGVPINYXDSMP-MFKMUULPSA-N 0 1 302.296 3.758 20 5 DHBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC=CCC1 ZINC000483495020 1035274560 /nfs/dbraw/zinc/27/45/60/1035274560.db2.gz XPDXIGVDTIDPRS-CQSZACIVSA-N 0 1 322.380 3.539 20 5 DHBDMN CO[C@@H]1C[C@H](N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])C12CCC2 ZINC001194384236 1035916833 /nfs/dbraw/zinc/91/68/33/1035916833.db2.gz JTECZFDDJRODNC-LSDHHAIUSA-N 0 1 324.808 3.638 20 5 DHBDMN Cc1ccsc1[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000540221627 1036019806 /nfs/dbraw/zinc/01/98/06/1036019806.db2.gz VDHRJWWGIQZTJR-GXTWGEPZSA-N 0 1 320.414 3.657 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC001196038957 1036428146 /nfs/dbraw/zinc/42/81/46/1036428146.db2.gz HLEGRYBBJYYOFI-UHFFFAOYSA-N 0 1 304.390 3.847 20 5 DHBDMN C[C@@H](NCc1scnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000486928439 1036465004 /nfs/dbraw/zinc/46/50/04/1036465004.db2.gz VHMWRLJEIHWOQV-SNVBAGLBSA-N 0 1 303.387 3.780 20 5 DHBDMN COc1ccc(CN2CCSC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC001197295459 1036724300 /nfs/dbraw/zinc/72/43/00/1036724300.db2.gz GPUDSWVWCFEHES-OAHLLOKOSA-N 0 1 324.446 3.567 20 5 DHBDMN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCSC[C@@H](C)C1 ZINC000488229283 1036912644 /nfs/dbraw/zinc/91/26/44/1036912644.db2.gz GWXDQKJFZOFCFT-ZDUSSCGKSA-N 0 1 324.446 3.567 20 5 DHBDMN Cn1cc(CN2CCC(CC3CCCCC3)CC2)c([N+](=O)[O-])n1 ZINC001198209972 1036970400 /nfs/dbraw/zinc/97/04/00/1036970400.db2.gz CQGYZSPKKZICSQ-UHFFFAOYSA-N 0 1 320.437 3.511 20 5 DHBDMN CCOc1cc(CN2CCS[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492776606 1037006003 /nfs/dbraw/zinc/00/60/03/1037006003.db2.gz VANMEGXFQSNTSP-MRXNPFEDSA-N 0 1 324.446 3.567 20 5 DHBDMN CCOc1cc(CN2CCS[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492776605 1037006869 /nfs/dbraw/zinc/00/68/69/1037006869.db2.gz VANMEGXFQSNTSP-INIZCTEOSA-N 0 1 324.446 3.567 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1F ZINC000487680495 1037261396 /nfs/dbraw/zinc/26/13/96/1037261396.db2.gz UAWZJMNNFVNYOA-ZDUSSCGKSA-N 0 1 318.348 3.806 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)c(F)c1 ZINC000490545006 1037731180 /nfs/dbraw/zinc/73/11/80/1037731180.db2.gz MWXTZXMKDKSYOO-INIZCTEOSA-N 0 1 322.380 3.658 20 5 DHBDMN CC[C@@H](CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000571486341 1038147157 /nfs/dbraw/zinc/14/71/57/1038147157.db2.gz BEEABUGAZFBPJI-ZWKOTPCHSA-N 0 1 314.385 3.699 20 5 DHBDMN CN(CCC(C)(C)C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000592145211 1039137150 /nfs/dbraw/zinc/13/71/50/1039137150.db2.gz OKZJVBNXAACZEU-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C ZINC000573985070 1039191684 /nfs/dbraw/zinc/19/16/84/1039191684.db2.gz MPOFCJAKOXCHFV-NXEZZACHSA-N 0 1 302.296 3.844 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNC1(c2ccc(F)cc2)CCC1 ZINC000604564836 1039499304 /nfs/dbraw/zinc/49/93/04/1039499304.db2.gz SNONVYSNYHKXIU-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495004 1039797701 /nfs/dbraw/zinc/79/77/01/1039797701.db2.gz JYQAXCUTEKTAKI-YMTOWFKASA-N 0 1 301.346 3.538 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000168200951 1039806581 /nfs/dbraw/zinc/80/65/81/1039806581.db2.gz KRNBRSLHOXWLMQ-QWRGUYRKSA-N 0 1 303.362 3.920 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2ccccc21 ZINC000594973113 1039949489 /nfs/dbraw/zinc/94/94/89/1039949489.db2.gz MOMMQFRWFZYBHZ-QGZVFWFLSA-N 0 1 312.369 3.771 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](OC2CCC2)C1 ZINC000594026274 1039950967 /nfs/dbraw/zinc/95/09/67/1039950967.db2.gz HYUUKDDALPPGGR-DYVFJYSZSA-N 0 1 304.390 3.689 20 5 DHBDMN CC[C@H](N[C@@H](c1ccccc1)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000595102476 1040068260 /nfs/dbraw/zinc/06/82/60/1040068260.db2.gz INKCWYHGIWPJKC-DOPJRALCSA-N 0 1 314.385 3.758 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595411421 1040130357 /nfs/dbraw/zinc/13/03/57/1040130357.db2.gz PLXCGLGZMMVGBZ-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN CC[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000595408164 1040130671 /nfs/dbraw/zinc/13/06/71/1040130671.db2.gz IKLOVKJMIACIEA-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCSC2(CCC2)CC1 ZINC000595535855 1040150295 /nfs/dbraw/zinc/15/02/95/1040150295.db2.gz ROHLKLOFUVGQCJ-UHFFFAOYSA-N 0 1 310.394 3.596 20 5 DHBDMN Cc1noc(CN(C)[C@H]2CCC[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000595539399 1040168018 /nfs/dbraw/zinc/16/80/18/1040168018.db2.gz LZIPYNLLYARWIT-GJZGRUSLSA-N 0 1 315.373 3.659 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595785288 1040251915 /nfs/dbraw/zinc/25/19/15/1040251915.db2.gz DACGJCBYMJMLSA-RHSMWYFYSA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1cc(NC[C@H](c2ccsc2)N(C)C)c([N+](=O)[O-])s1 ZINC000596074832 1040300182 /nfs/dbraw/zinc/30/01/82/1040300182.db2.gz HGLPNNJJYGINKH-GFCCVEGCSA-N 0 1 311.432 3.741 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H]1c1ccccn1 ZINC000534331861 1040805502 /nfs/dbraw/zinc/80/55/02/1040805502.db2.gz AZGVTRZSXPUFEC-MTIYJEKLSA-N 0 1 309.369 3.840 20 5 DHBDMN CCC(CC)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1cccs1 ZINC000602803682 1041225012 /nfs/dbraw/zinc/22/50/12/1041225012.db2.gz ZXFOIBRGPFQCAO-CQSZACIVSA-N 0 1 322.434 3.657 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H](c2cccnc2)C1 ZINC000602855937 1041266095 /nfs/dbraw/zinc/26/60/95/1041266095.db2.gz QOZJJFKJXZJMSE-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cncc(Cl)c2)cc1[N+](=O)[O-] ZINC000598603310 1041351039 /nfs/dbraw/zinc/35/10/39/1041351039.db2.gz ZMYHGXLDMLLFQQ-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1noc(C)c1C(C)(C)NCc1ccc([N+](=O)[O-])cc1C ZINC000285569863 131182255 /nfs/dbraw/zinc/18/22/55/131182255.db2.gz UEPKRBYKPZUQJU-UHFFFAOYSA-N 0 1 303.362 3.533 20 5 DHBDMN CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccsc1 ZINC000297893082 132039115 /nfs/dbraw/zinc/03/91/15/132039115.db2.gz VQWZRNWIPZPLQJ-CYBMUJFWSA-N 0 1 306.387 3.906 20 5 DHBDMN CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000120078549 132139306 /nfs/dbraw/zinc/13/93/06/132139306.db2.gz DIONHOVAZSBDNF-OAHLLOKOSA-N 0 1 315.329 3.744 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2ccccc21 ZINC000172335101 332819885 /nfs/dbraw/zinc/81/98/85/332819885.db2.gz ZRVADTWZZXHCCX-KRWDZBQOSA-N 0 1 312.369 3.771 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000126051415 331992742 /nfs/dbraw/zinc/99/27/42/331992742.db2.gz YKMBNCSLGHQQCG-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN C[C@@H]1C[C@@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000449463614 332237651 /nfs/dbraw/zinc/23/76/51/332237651.db2.gz WPTHBRPZDZPNJA-PWSUYJOCSA-N 0 1 302.296 3.758 20 5 DHBDMN CCCN1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000564405326 332276425 /nfs/dbraw/zinc/27/64/25/332276425.db2.gz PTLSXYAFGJBWFX-AWEZNQCLSA-N 0 1 316.361 3.500 20 5 DHBDMN CC(C)Oc1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173326946 333071818 /nfs/dbraw/zinc/07/18/18/333071818.db2.gz DHNPAQDSJSJDSM-ZDUSSCGKSA-N 0 1 315.373 3.628 20 5 DHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cnc(C)o1 ZINC000414180880 333909656 /nfs/dbraw/zinc/90/96/56/333909656.db2.gz LYTGOYQZDCUQMV-GFCCVEGCSA-N 0 1 321.402 3.552 20 5 DHBDMN COCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507120 334036292 /nfs/dbraw/zinc/03/62/92/334036292.db2.gz FNSGLRONQMBHCW-CJNGLKHVSA-N 0 1 318.373 3.925 20 5 DHBDMN C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H](N)CC(C)C)no1 ZINC000414615995 334042165 /nfs/dbraw/zinc/04/21/65/334042165.db2.gz HKDUMGPGARODRC-MARXPDLDSA-N 0 1 316.361 3.584 20 5 DHBDMN O=[N+]([O-])c1ccc(N2CCc3cnccc32)nc1-c1ccccc1 ZINC000341262950 334426545 /nfs/dbraw/zinc/42/65/45/334426545.db2.gz RQIHHEXJUKSYGO-UHFFFAOYSA-N 0 1 318.336 3.746 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1CN1CCC2(CCOCC2)CC1 ZINC000341983832 334497154 /nfs/dbraw/zinc/49/71/54/334497154.db2.gz CUTOLUJDZXHWGZ-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CC[C@@H](NCc1c(C)nn(CC)c1C)c1cccc([N+](=O)[O-])c1 ZINC000532214290 335919425 /nfs/dbraw/zinc/91/94/25/335919425.db2.gz FBXXCFVWYQZVBJ-QGZVFWFLSA-N 0 1 316.405 3.669 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(c2nccs2)CC1 ZINC000332457882 336172333 /nfs/dbraw/zinc/17/23/33/336172333.db2.gz OBVBEGFNMOUGQQ-GFCCVEGCSA-N 0 1 317.414 3.992 20 5 DHBDMN CC[C@@H]1c2ccsc2CCN1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000351920687 336178661 /nfs/dbraw/zinc/17/86/61/336178661.db2.gz FCKIZTJMERJMOA-CQSZACIVSA-N 0 1 318.398 3.871 20 5 DHBDMN CCN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000351933485 336180899 /nfs/dbraw/zinc/18/08/99/336180899.db2.gz CVGBSBDLTSFFCK-GFCCVEGCSA-N 0 1 310.369 3.513 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2ccccc2)C1 ZINC000103471351 336241027 /nfs/dbraw/zinc/24/10/27/336241027.db2.gz DJSXPVPCIMUJLE-AWEZNQCLSA-N 0 1 300.333 3.723 20 5 DHBDMN Cc1ccc(NC[C@@H](c2ccco2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000301460067 336308227 /nfs/dbraw/zinc/30/82/27/336308227.db2.gz YQZAKOAHAHSXPL-INIZCTEOSA-N 0 1 315.373 3.745 20 5 DHBDMN CC[C@@H](C)[C@@](C)(O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302186008 336352933 /nfs/dbraw/zinc/35/29/33/336352933.db2.gz PGYFXIPXPOMTCL-DIFFPNOSSA-N 0 1 317.389 3.660 20 5 DHBDMN CSCc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000353067254 336392236 /nfs/dbraw/zinc/39/22/36/336392236.db2.gz XLBSWUJVJPYVLQ-UHFFFAOYSA-N 0 1 302.399 3.748 20 5 DHBDMN CCCN(CC1CCCCC1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356351254 336547160 /nfs/dbraw/zinc/54/71/60/336547160.db2.gz VTTKAODYZAQUSM-UHFFFAOYSA-N 0 1 320.389 3.733 20 5 DHBDMN CC(C)CC[C@@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356772757 336560482 /nfs/dbraw/zinc/56/04/82/336560482.db2.gz NLWRQJLZUJXIFL-AWEZNQCLSA-N 0 1 320.389 3.731 20 5 DHBDMN CSC[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182242041 337187674 /nfs/dbraw/zinc/18/76/74/337187674.db2.gz QUZYIYYMLUHLLJ-LBPRGKRZSA-N 0 1 300.811 3.576 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(F)(F)[C@H](C)C1 ZINC000582877415 337209674 /nfs/dbraw/zinc/20/96/74/337209674.db2.gz OBLWUTPFODPYFW-LLBKUYECSA-N 0 1 310.344 3.975 20 5 DHBDMN CC[C@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284165918 337573314 /nfs/dbraw/zinc/57/33/14/337573314.db2.gz QJKBKEMGOFOHAB-HNNXBMFYSA-N 0 1 315.329 3.744 20 5 DHBDMN CSC[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000429293178 338076899 /nfs/dbraw/zinc/07/68/99/338076899.db2.gz JNTVQVFWHWPRQL-LLVKDONJSA-N 0 1 314.838 3.823 20 5 DHBDMN COc1ccc(CN2CC3(CCC3)[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000430081370 338095215 /nfs/dbraw/zinc/09/52/15/338095215.db2.gz AVTRVSZYDXCNND-MRXNPFEDSA-N 0 1 304.390 3.614 20 5 DHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1OC)c1cccs1 ZINC000430213227 338101695 /nfs/dbraw/zinc/10/16/95/338101695.db2.gz SHNKSIYGAISERO-CYBMUJFWSA-N 0 1 306.387 3.906 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(CCC2)C[C@@H]1C ZINC000432797273 338168327 /nfs/dbraw/zinc/16/83/27/338168327.db2.gz LCCGUARSYADVLA-ZDUSSCGKSA-N 0 1 304.390 3.758 20 5 DHBDMN CCCN(CC)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000434990573 338229235 /nfs/dbraw/zinc/22/92/35/338229235.db2.gz JLXZRKSJAVUWHZ-UHFFFAOYSA-N 0 1 305.403 3.950 20 5 DHBDMN CC[C@H](NCc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459430908 339028863 /nfs/dbraw/zinc/02/88/63/339028863.db2.gz RUHPIXJXIFDXLD-INIZCTEOSA-N 0 1 312.373 3.503 20 5 DHBDMN CCc1cnc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)s1 ZINC000468643468 339267790 /nfs/dbraw/zinc/26/77/90/339267790.db2.gz ZHAZOLCHPHMPKB-GHXNOFRVSA-N 0 1 317.414 3.807 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000469450314 339289789 /nfs/dbraw/zinc/28/97/89/339289789.db2.gz NHMHWHNDGVQQOM-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470954778 339332600 /nfs/dbraw/zinc/33/26/00/339332600.db2.gz CCAYTKHMDBMQTM-SCVCMEIPSA-N 0 1 302.296 3.929 20 5 DHBDMN Cc1cc2[nH]c(CNCc3ccccc3[N+](=O)[O-])cc2c(C)c1 ZINC000479539901 339540050 /nfs/dbraw/zinc/54/00/50/339540050.db2.gz FNMUFWIBFJSNCR-UHFFFAOYSA-N 0 1 309.369 3.983 20 5 DHBDMN Cc1ccc(C)c(OCCN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000501778296 340088561 /nfs/dbraw/zinc/08/85/61/340088561.db2.gz SPJFGIWWAXUYHS-UHFFFAOYSA-N 0 1 314.385 3.722 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CC[C@@H](Cc3ccccc3)C2)cs1 ZINC000507668108 340227744 /nfs/dbraw/zinc/22/77/44/340227744.db2.gz GNKSLJBKYWDIRK-AWEZNQCLSA-N 0 1 302.399 3.721 20 5 DHBDMN CN(CCOc1cccc(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000302808212 340282518 /nfs/dbraw/zinc/28/25/18/340282518.db2.gz RAYWVFZGFIBKJN-UHFFFAOYSA-N 0 1 320.776 3.759 20 5 DHBDMN CC(C)CCOC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193116713 340572585 /nfs/dbraw/zinc/57/25/85/340572585.db2.gz DJWMXWMIVFBPMB-UHFFFAOYSA-N 0 1 306.406 3.622 20 5 DHBDMN Cc1ccc([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000543246192 341037837 /nfs/dbraw/zinc/03/78/37/341037837.db2.gz OKGWJKZIQCKPNA-HNNXBMFYSA-N 0 1 302.399 3.954 20 5 DHBDMN C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000546832269 341183374 /nfs/dbraw/zinc/18/33/74/341183374.db2.gz ZKXTZMFXCLTOSV-NSHDSACASA-N 0 1 303.362 3.604 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccccc2C(F)(F)F)cc1 ZINC000077220962 341221029 /nfs/dbraw/zinc/22/10/29/341221029.db2.gz PNEOSXFTFGRWNC-UHFFFAOYSA-N 0 1 310.275 3.903 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1c2ccccc2C[C@H]1C ZINC000178729175 341963083 /nfs/dbraw/zinc/96/30/83/341963083.db2.gz KHTXQLNXDPYVSV-XIKOKIGWSA-N 0 1 312.369 3.627 20 5 DHBDMN CCCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000156698930 520375494 /nfs/dbraw/zinc/37/54/94/520375494.db2.gz IXEVDSCTYRRVQB-CYBMUJFWSA-N 0 1 315.373 3.629 20 5 DHBDMN CC[C@H](N[C@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161616946 522744294 /nfs/dbraw/zinc/74/42/94/522744294.db2.gz DTCMIALQZKLFBO-WBMJQRKESA-N 0 1 302.378 3.613 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178643022 524088933 /nfs/dbraw/zinc/08/89/33/524088933.db2.gz ZRPKQVLLNBSERV-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN C[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157670015 524235633 /nfs/dbraw/zinc/23/56/33/524235633.db2.gz LEQLUQXXQOWVRF-GFCCVEGCSA-N 0 1 317.414 3.950 20 5 DHBDMN C[C@@H]1N(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368813218 525546396 /nfs/dbraw/zinc/54/63/96/525546396.db2.gz DKIUEUSRTRNNTD-LBPRGKRZSA-N 0 1 324.808 3.639 20 5 DHBDMN CSCc1cccc(CNCc2ccccc2[N+](=O)[O-])c1 ZINC000189479664 525739006 /nfs/dbraw/zinc/73/90/06/525739006.db2.gz WIMJMUPMBQMLBT-UHFFFAOYSA-N 0 1 302.399 3.748 20 5 DHBDMN CSc1ccccc1[C@@H](C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000337311105 526186087 /nfs/dbraw/zinc/18/60/87/526186087.db2.gz UZWHAEVMZKMBBF-LLVKDONJSA-N 0 1 318.398 3.873 20 5 DHBDMN CC(C)(CO)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000289324157 535171913 /nfs/dbraw/zinc/17/19/13/535171913.db2.gz KHPQIZKEQJRYGT-HNNXBMFYSA-N 0 1 320.414 3.506 20 5 DHBDMN Cc1ccc2nc(CN[C@@H]3CCc4c3cccc4[N+](=O)[O-])[nH]c2c1 ZINC000581380055 1014751940 /nfs/dbraw/zinc/75/19/40/1014751940.db2.gz GNZRMXWLIKCEFA-CQSZACIVSA-N 0 1 322.368 3.557 20 5 DHBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC001596355791 983822327 /nfs/dbraw/zinc/82/23/27/983822327.db2.gz DYSZNWSAGZGGHX-DOMZBBRYSA-N 0 1 320.389 3.694 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H](c2nccs2)C1 ZINC000895583628 1015210520 /nfs/dbraw/zinc/21/05/20/1015210520.db2.gz MISGIMWXPGNWIP-MFBWXBCUSA-N 0 1 315.398 3.554 20 5 DHBDMN CCOc1cc(CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000492379821 1015623255 /nfs/dbraw/zinc/62/32/55/1015623255.db2.gz YMYOJNGCPFLEBZ-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN Cc1ccccc1[C@@H](NCc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000341925457 1015850983 /nfs/dbraw/zinc/85/09/83/1015850983.db2.gz DOLBJSAYIONBEC-OAHLLOKOSA-N 0 1 316.405 3.514 20 5 DHBDMN CCSc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000187793400 1017280730 /nfs/dbraw/zinc/28/07/30/1017280730.db2.gz QNFSXZXCXQYTPL-LBPRGKRZSA-N 0 1 317.414 3.953 20 5 DHBDMN COc1ccccc1CC[N@@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000075716791 1017324348 /nfs/dbraw/zinc/32/43/48/1017324348.db2.gz RNSPRZHETKNQOT-CQSZACIVSA-N 0 1 314.385 3.839 20 5 DHBDMN Cc1cc(C[N@@H+](C)CCOc2ccccc2[N+](=O)[O-])ccc1F ZINC000444731594 1017646910 /nfs/dbraw/zinc/64/69/10/1017646910.db2.gz GTBYWJROIFXZHT-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2ccc(C)cc21 ZINC000178729968 1017896804 /nfs/dbraw/zinc/89/68/04/1017896804.db2.gz LQKIGLFKWHUFCI-KRWDZBQOSA-N 0 1 312.369 3.689 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(CCCCC1CCOCC1)C2 ZINC000525802695 1018379604 /nfs/dbraw/zinc/37/96/04/1018379604.db2.gz OYOYSTYCDGVWFF-UHFFFAOYSA-N 0 1 318.417 3.550 20 5 DHBDMN Cc1ccoc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130737310 1019067258 /nfs/dbraw/zinc/06/72/58/1019067258.db2.gz XAZXXSASPDDHAN-UHFFFAOYSA-N 0 1 316.357 3.540 20 5 DHBDMN CC(C)[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc([N+](=O)[O-])cc1 ZINC000611254838 1019421588 /nfs/dbraw/zinc/42/15/88/1019421588.db2.gz GDWTZPFKNCVNOM-UHFFFAOYSA-N 0 1 324.384 3.882 20 5 DHBDMN Cc1cc(CN[C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000611519637 1019508259 /nfs/dbraw/zinc/50/82/59/1019508259.db2.gz DGZDEVZUYBIOJM-SFHVURJKSA-N 0 1 322.368 3.506 20 5 DHBDMN CCC[C@H](NCc1cccnc1OC)c1cccc([N+](=O)[O-])c1 ZINC000124525422 1020192075 /nfs/dbraw/zinc/19/20/75/1020192075.db2.gz QTMAVBFCVXDSQY-INIZCTEOSA-N 0 1 315.373 3.629 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCCc2cccnc21 ZINC000922878197 1020321104 /nfs/dbraw/zinc/32/11/04/1020321104.db2.gz SFMOOTJVAIJWIB-MRXNPFEDSA-N 0 1 311.385 3.774 20 5 DHBDMN C[C@H]1C[C@H](C)N(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000740860734 1020955215 /nfs/dbraw/zinc/95/52/15/1020955215.db2.gz RJSVNIHYZCMGAE-UWVGGRQHSA-N 0 1 307.375 3.560 20 5 DHBDMN CCC1CCC(N(Cn2nc(C)c([N+](=O)[O-])c2C)C2CC2)CC1 ZINC000917439531 1021261160 /nfs/dbraw/zinc/26/11/60/1021261160.db2.gz OTJHBLDPYKPSCY-UHFFFAOYSA-N 0 1 320.437 3.799 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccsc1)N(C)C ZINC000338913583 1021294581 /nfs/dbraw/zinc/29/45/81/1021294581.db2.gz WADMMUMDBKPAPI-CQSZACIVSA-N 0 1 305.403 3.680 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccsc1)N(C)C ZINC000338913582 1021295868 /nfs/dbraw/zinc/29/58/68/1021295868.db2.gz WADMMUMDBKPAPI-AWEZNQCLSA-N 0 1 305.403 3.680 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccccc1N(C)C ZINC000537973035 1032969193 /nfs/dbraw/zinc/96/91/93/1032969193.db2.gz PFDYCQUCNIUMJB-AWEZNQCLSA-N 0 1 313.401 3.820 20 5 DHBDMN COc1ccc(F)cc1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000189201077 1021350247 /nfs/dbraw/zinc/35/02/47/1021350247.db2.gz GIAWJHJERJXIMJ-GQCTYLIASA-N 0 1 316.332 3.546 20 5 DHBDMN CN(Cc1csc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189316714 1021357257 /nfs/dbraw/zinc/35/72/57/1021357257.db2.gz QNNNNOQMUFUCKS-UHFFFAOYSA-N 0 1 302.399 3.820 20 5 DHBDMN CC(C)[N@H+](Cc1cccc(F)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338926702 1021372687 /nfs/dbraw/zinc/37/26/87/1021372687.db2.gz SUBMODHWEYQNOQ-UHFFFAOYSA-N 0 1 318.348 3.850 20 5 DHBDMN CC(C)[N@@H+](Cc1cccc(F)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338926702 1021372706 /nfs/dbraw/zinc/37/27/06/1021372706.db2.gz SUBMODHWEYQNOQ-UHFFFAOYSA-N 0 1 318.348 3.850 20 5 DHBDMN CCN(C)c1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047557 1021831484 /nfs/dbraw/zinc/83/14/84/1021831484.db2.gz OWKIYNWZMBOIEM-AWEZNQCLSA-N 0 1 313.401 3.902 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000153416748 1021957664 /nfs/dbraw/zinc/95/76/64/1021957664.db2.gz WBMJZRYMNYJBDO-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN CC1(C)CCC[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC001168847665 1022162172 /nfs/dbraw/zinc/16/21/72/1022162172.db2.gz FVFBEODMOOFGQT-KRWDZBQOSA-N 0 1 318.417 3.907 20 5 DHBDMN CN(Cc1c(Cl)cccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038560 1022221179 /nfs/dbraw/zinc/22/11/79/1022221179.db2.gz ZPIJDGDBNBZHMY-MNOVXSKESA-N 0 1 317.216 3.871 20 5 DHBDMN CN(Cc1c(Cl)cccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038563 1022221767 /nfs/dbraw/zinc/22/17/67/1022221767.db2.gz ZPIJDGDBNBZHMY-WDEREUQCSA-N 0 1 317.216 3.871 20 5 DHBDMN CCN(Cc1c(F)cccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041645 1022225185 /nfs/dbraw/zinc/22/51/85/1022225185.db2.gz BTTZIWQKHYEUGD-RYUDHWBXSA-N 0 1 314.788 3.746 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1COCc3ccccc31)CCC2 ZINC000417373962 1022708095 /nfs/dbraw/zinc/70/80/95/1022708095.db2.gz YPVIOSIALYUBOM-RTBURBONSA-N 0 1 324.380 3.833 20 5 DHBDMN CC(C)(C)c1nc(CNCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000105448068 1022891512 /nfs/dbraw/zinc/89/15/12/1022891512.db2.gz JCLRAWGJNIPOBG-UHFFFAOYSA-N 0 1 319.430 3.681 20 5 DHBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000743475258 1022983995 /nfs/dbraw/zinc/98/39/95/1022983995.db2.gz ZWHYRVOKJOOZPW-CHWSQXEVSA-N 0 1 312.369 3.942 20 5 DHBDMN C[C@@H]1[C@@H](C)CCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000770281772 1023289464 /nfs/dbraw/zinc/28/94/64/1023289464.db2.gz ADCYFHGBLUXXPR-VHSXEESVSA-N 0 1 313.195 3.588 20 5 DHBDMN CCO[C@@H](CNCc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000194461600 1024004620 /nfs/dbraw/zinc/00/46/20/1024004620.db2.gz DYWUJJQJSJFOGX-AWEZNQCLSA-N 0 1 306.387 3.524 20 5 DHBDMN Cc1ccccc1[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531736557 1024288090 /nfs/dbraw/zinc/28/80/90/1024288090.db2.gz XLZFZRDSFYOFQA-RHSMWYFYSA-N 0 1 314.385 3.596 20 5 DHBDMN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)cnc1Cl ZINC000791000445 1024415747 /nfs/dbraw/zinc/41/57/47/1024415747.db2.gz WKPICJSOFZGYRN-UHFFFAOYSA-N 0 1 305.765 3.550 20 5 DHBDMN CO[C@H](c1ccc(F)cc1)[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000271568230 1024541188 /nfs/dbraw/zinc/54/11/88/1024541188.db2.gz WTEDTKPQYZVVDM-BMIGLBTASA-N 0 1 324.377 3.661 20 5 DHBDMN Cc1ccc2nc(CN[C@H](C)c3cc([N+](=O)[O-])ccc3C)[nH]c2c1 ZINC000532239148 1024586489 /nfs/dbraw/zinc/58/64/89/1024586489.db2.gz SIEJBPOHCMEMHT-CYBMUJFWSA-N 0 1 324.384 3.939 20 5 DHBDMN Cc1c(CN(C)[C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000109780994 1024696056 /nfs/dbraw/zinc/69/60/56/1024696056.db2.gz DXLWAMIYQBMCGH-ZDUSSCGKSA-N 0 1 300.358 3.802 20 5 DHBDMN O=[N+]([O-])c1ccccc1C[N@@H+](CCc1cccs1)C1CC1 ZINC000135219728 1025194833 /nfs/dbraw/zinc/19/48/33/1025194833.db2.gz HFEFNJPSEKXVAT-UHFFFAOYSA-N 0 1 302.399 3.863 20 5 DHBDMN C[C@H](CNCc1ncc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000897466409 1025369856 /nfs/dbraw/zinc/36/98/56/1025369856.db2.gz TXQDUTZCRHYBKI-SECBINFHSA-N 0 1 311.794 3.598 20 5 DHBDMN CC(C)COC1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000054324831 1025520197 /nfs/dbraw/zinc/52/01/97/1025520197.db2.gz MHBQOKQLJIPTPW-CQSZACIVSA-N 0 1 306.406 3.793 20 5 DHBDMN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H](CC)c1ccccc1 ZINC000355554441 1025765054 /nfs/dbraw/zinc/76/50/54/1025765054.db2.gz NHRWVWMJHIXYFF-HNNXBMFYSA-N 0 1 316.405 3.692 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCOCC2(CCCC2)C1 ZINC000614222853 1025955252 /nfs/dbraw/zinc/95/52/52/1025955252.db2.gz KHIDMGCJGYIFTG-AWEZNQCLSA-N 0 1 304.390 3.548 20 5 DHBDMN CCc1nc2c(s1)[C@H](NCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089513497 1026056699 /nfs/dbraw/zinc/05/66/99/1026056699.db2.gz GVSAIOYMIXZYAK-CYBMUJFWSA-N 0 1 317.414 3.781 20 5 DHBDMN COC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668783 1026061275 /nfs/dbraw/zinc/06/12/75/1026061275.db2.gz RWPFGZCKISRIDB-CXAGYDPISA-N 0 1 300.358 3.633 20 5 DHBDMN CC[C@H](N[C@@H](C)c1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918465 1026089881 /nfs/dbraw/zinc/08/98/81/1026089881.db2.gz XXCFKZYRDBKMLK-ZBEGNZNMSA-N 0 1 303.337 3.931 20 5 DHBDMN C[C@H]1OCC[C@@]1(C)NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000809987731 1026655991 /nfs/dbraw/zinc/65/59/91/1026655991.db2.gz KFDDYWPVMFZCKZ-AMIZOPFISA-N 0 1 319.188 3.559 20 5 DHBDMN CC(C)c1ccc(CN2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421366203 1026965853 /nfs/dbraw/zinc/96/58/53/1026965853.db2.gz BYHKTQXVJVPQMJ-OAHLLOKOSA-N 0 1 318.417 3.598 20 5 DHBDMN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H]1CCC1CCCCC1 ZINC000362951511 1027461172 /nfs/dbraw/zinc/46/11/72/1027461172.db2.gz MUDVAZBFLGKZCB-HNNXBMFYSA-N 0 1 320.437 3.653 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC=C(c2cccnc2)C1 ZINC000295897953 1027480497 /nfs/dbraw/zinc/48/04/97/1027480497.db2.gz IDJBKOXVBYAELQ-CQSZACIVSA-N 0 1 309.369 3.840 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1ccccc1-c1ccncc1 ZINC000363520055 1027662055 /nfs/dbraw/zinc/66/20/55/1027662055.db2.gz NXXMBKAUCXASMA-UHFFFAOYSA-N 0 1 319.364 3.947 20 5 DHBDMN C[C@@H]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000576805948 1027662413 /nfs/dbraw/zinc/66/24/13/1027662413.db2.gz WNFJIWBVGOZDFW-NXEZZACHSA-N 0 1 302.296 3.844 20 5 DHBDMN COc1ncc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000296607267 1027684815 /nfs/dbraw/zinc/68/48/15/1027684815.db2.gz WBNMMJJLCIMPIU-SNVBAGLBSA-N 0 1 321.764 3.503 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1C ZINC000933483861 1027741779 /nfs/dbraw/zinc/74/17/79/1027741779.db2.gz NUWBUSIPOSIDOF-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1[nH]nc2cc(NC(=O)[C@@H](C)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000577452547 1027774525 /nfs/dbraw/zinc/77/45/25/1027774525.db2.gz BACQESQEQFZBAR-JTQLQIEISA-N 0 1 324.340 3.522 20 5 DHBDMN CCCO[C@H]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000217005703 1028068254 /nfs/dbraw/zinc/06/82/54/1028068254.db2.gz KEEDMOIZCTYQEY-HNNXBMFYSA-N 0 1 310.369 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[C@H]1C(F)(F)F)CCC2 ZINC000601306101 1028072227 /nfs/dbraw/zinc/07/22/27/1028072227.db2.gz AKUKTVBDZDVVDG-JHJVBQTASA-N 0 1 300.280 3.513 20 5 DHBDMN O=[N+]([O-])c1cc(CN[C@@H]2CCCc3c(F)cccc32)cs1 ZINC000449347071 1028560709 /nfs/dbraw/zinc/56/07/09/1028560709.db2.gz BEGZYDPQRMZDCK-CQSZACIVSA-N 0 1 306.362 3.963 20 5 DHBDMN CCCc1ncc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)o1 ZINC000449610435 1028841957 /nfs/dbraw/zinc/84/19/57/1028841957.db2.gz GNSQLMDTKOZUAT-MDWZMJQESA-N 0 1 315.373 3.728 20 5 DHBDMN CC[C@H](N[C@@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229794 1029581563 /nfs/dbraw/zinc/58/15/63/1029581563.db2.gz IMYQHQLKDXTHTD-LRDDRELGSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1ccc(CNCc2cnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000865788035 1030023983 /nfs/dbraw/zinc/02/39/83/1030023983.db2.gz XDHUHNOWVZSOGK-UHFFFAOYSA-N 0 1 303.387 3.527 20 5 DHBDMN CSc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000357859027 1030224920 /nfs/dbraw/zinc/22/49/20/1030224920.db2.gz YHMBHVYBYHPJQK-LLVKDONJSA-N 0 1 303.387 3.563 20 5 DHBDMN COc1ccc([C@@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000866540102 1030359787 /nfs/dbraw/zinc/35/97/87/1030359787.db2.gz VYFKTEAFZOBBQQ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1c([C@H](C)NCc2cccc([N+](=O)[O-])c2C)cnn1C(C)C ZINC000358339461 1030445587 /nfs/dbraw/zinc/44/55/87/1030445587.db2.gz NXBZWEVXCBLLJU-ZDUSSCGKSA-N 0 1 316.405 3.840 20 5 DHBDMN CCC[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000824543763 1030589261 /nfs/dbraw/zinc/58/92/61/1030589261.db2.gz NOZOYBLUNJVJMC-NSHDSACASA-N 0 1 321.204 3.806 20 5 DHBDMN C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559108123 1031127301 /nfs/dbraw/zinc/12/73/01/1031127301.db2.gz ZZAHGIVMOFXEIA-GUYCJALGSA-N 0 1 312.369 3.678 20 5 DHBDMN CC(F)(F)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000292981380 1031276988 /nfs/dbraw/zinc/27/69/88/1031276988.db2.gz NCLYURFBBPVAPA-UHFFFAOYSA-N 0 1 306.312 3.996 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NC1CC(F)(F)C1 ZINC000872066040 1031460826 /nfs/dbraw/zinc/46/08/26/1031460826.db2.gz JECVNDGYMZCOOE-MRVPVSSYSA-N 0 1 302.346 3.765 20 5 DHBDMN C[C@H](N[C@@H](C)[C@@H](O)c1ccccc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872073852 1031469220 /nfs/dbraw/zinc/46/92/20/1031469220.db2.gz WBUSXUHJYXSLCN-NVGCLXPQSA-N 0 1 318.348 3.507 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccnc(C)c1 ZINC000872075733 1031472043 /nfs/dbraw/zinc/47/20/43/1031472043.db2.gz UVELTXCVEIOSRC-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN CC[C@H](COCC1CC1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083482 1031479485 /nfs/dbraw/zinc/47/94/85/1031479485.db2.gz BMUTXYOIEAXVHE-WCQYABFASA-N 0 1 310.369 3.590 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccnc1C ZINC000872091116 1031488289 /nfs/dbraw/zinc/48/82/89/1031488289.db2.gz VVXIJQQGYLPZGM-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000360687716 1031521205 /nfs/dbraw/zinc/52/12/05/1031521205.db2.gz GFGPIXVHDSHSRA-WCQYABFASA-N 0 1 320.389 3.587 20 5 DHBDMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596530 1031533346 /nfs/dbraw/zinc/53/33/46/1031533346.db2.gz FUTZZWHYDZMQFQ-NEPJUHHUSA-N 0 1 315.373 3.597 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)O)cc1 ZINC000925309556 1031534960 /nfs/dbraw/zinc/53/49/60/1031534960.db2.gz HOLVTWHGVIGYCW-CYBMUJFWSA-N 0 1 314.385 3.673 20 5 DHBDMN COc1cc(F)cc(CNCc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873098381 1031709584 /nfs/dbraw/zinc/70/95/84/1031709584.db2.gz FZDNPTIXCZKRCJ-UHFFFAOYSA-N 0 1 318.348 3.649 20 5 DHBDMN CCOc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000873183911 1031745698 /nfs/dbraw/zinc/74/56/98/1031745698.db2.gz PZZDPDMDPXQSES-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](N[C@@H]1CCCC1(F)F)CC2 ZINC001172911549 1033485239 /nfs/dbraw/zinc/48/52/39/1033485239.db2.gz JKKDTKYMYJILBX-DZGCQCFKSA-N 0 1 310.344 3.620 20 5 DHBDMN COc1cccc2c1CN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173231556 1033608634 /nfs/dbraw/zinc/60/86/34/1033608634.db2.gz MRCDZKXCIFXSJJ-ZDUSSCGKSA-N 0 1 312.369 3.550 20 5 DHBDMN Cc1nccc(N(C)CCc2ccccc2[N+](=O)[O-])c1Cl ZINC000553577590 1033739423 /nfs/dbraw/zinc/73/94/23/1033739423.db2.gz JAXMIXHQXLOFQC-UHFFFAOYSA-N 0 1 305.765 3.631 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000878753398 1033819645 /nfs/dbraw/zinc/81/96/45/1033819645.db2.gz JQGVLGSLGPXZOJ-HNNXBMFYSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3cccnc3)C2)cc1F ZINC000878753398 1033819662 /nfs/dbraw/zinc/81/96/62/1033819662.db2.gz JQGVLGSLGPXZOJ-HNNXBMFYSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](c2cccnc2)C1 ZINC000878756531 1033819981 /nfs/dbraw/zinc/81/99/81/1033819981.db2.gz OWEBKLNRYJKVQZ-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN CN(CCC(C)(C)C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878761160 1033822194 /nfs/dbraw/zinc/82/21/94/1033822194.db2.gz HJAQNXDQPWKTRJ-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN CCC(C)(C)[C@H](C)NCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878889732 1033856777 /nfs/dbraw/zinc/85/67/77/1033856777.db2.gz GUEYFWFSKFBZIG-NSHDSACASA-N 0 1 318.377 3.559 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000185566272 1034557178 /nfs/dbraw/zinc/55/71/78/1034557178.db2.gz QQEYKZXUIQTJOE-LLVKDONJSA-N 0 1 304.321 3.599 20 5 DHBDMN C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000600182364 1034794825 /nfs/dbraw/zinc/79/48/25/1034794825.db2.gz AYHUZLRCEVORHQ-ZVYZJRAXSA-N 0 1 310.344 3.831 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001176193259 1035217228 /nfs/dbraw/zinc/21/72/28/1035217228.db2.gz OQJBSKGFCYAMGN-JSGCOSHPSA-N 0 1 314.307 3.759 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN(CCc1ccccc1)C1CC1 ZINC001176414145 1035267989 /nfs/dbraw/zinc/26/79/89/1035267989.db2.gz XGOZHRWXALMMJN-UHFFFAOYSA-N 0 1 314.360 3.941 20 5 DHBDMN C[C@@]1(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)CCCCO1 ZINC001179913627 1035548097 /nfs/dbraw/zinc/54/80/97/1035548097.db2.gz AUXOLNJZAHJWEJ-KRWDZBQOSA-N 0 1 304.390 3.518 20 5 DHBDMN CC[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000089883218 1035757980 /nfs/dbraw/zinc/75/79/80/1035757980.db2.gz WEUAZJJLVQZTCQ-ZDUSSCGKSA-N 0 1 315.373 3.872 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(F)cc1 ZINC000595006622 1035841676 /nfs/dbraw/zinc/84/16/76/1035841676.db2.gz MDQULXVKGFWWPS-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN COc1ccc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000540157007 1035988908 /nfs/dbraw/zinc/98/89/08/1035988908.db2.gz UUVAUTOFJRBKDM-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN COC[C@H](NCc1ccc([N+](=O)[O-])cc1C)c1ccc(F)cc1 ZINC000541776213 1036422620 /nfs/dbraw/zinc/42/26/20/1036422620.db2.gz PPQYETVHILHXBU-KRWDZBQOSA-N 0 1 318.348 3.520 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCOc1ccc(F)cc1 ZINC000487561912 1036675704 /nfs/dbraw/zinc/67/57/04/1036675704.db2.gz PLJVTPLZQSBTLB-CYBMUJFWSA-N 0 1 318.348 3.806 20 5 DHBDMN C[C@H](N[C@@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000089210138 1036922159 /nfs/dbraw/zinc/92/21/59/1036922159.db2.gz UAECQGMMKONMTE-ZBEGNZNMSA-N 0 1 320.776 3.632 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000774836960 1037056390 /nfs/dbraw/zinc/05/63/90/1037056390.db2.gz UTQWLKHECQQOGI-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2noc(-c3ccc(O)c(Cl)c3)n2)cc1 ZINC000387194515 1037230705 /nfs/dbraw/zinc/23/07/05/1037230705.db2.gz CFNNHFQRIBXZJY-UHFFFAOYSA-N 0 1 317.688 3.671 20 5 DHBDMN C[C@H]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1 ZINC000775052442 1037499713 /nfs/dbraw/zinc/49/97/13/1037499713.db2.gz DHJRFZABHSYDCG-LRDDRELGSA-N 0 1 319.361 3.515 20 5 DHBDMN Nc1ccc2cc3ccc(Nc4cncc(O)c4)cc3nc2c1 ZINC001201641906 1037828987 /nfs/dbraw/zinc/82/89/87/1037828987.db2.gz WNOCKMGXSAFPDY-UHFFFAOYSA-N 0 1 302.337 3.814 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2cccc3c[nH]nc32)C2CC2)c1 ZINC000154283522 1038209350 /nfs/dbraw/zinc/20/93/50/1038209350.db2.gz MULXPVOUCRUTGA-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN Cc1cc(CNc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000590135691 1038598415 /nfs/dbraw/zinc/59/84/15/1038598415.db2.gz HJJVFIIPCUQANG-UHFFFAOYSA-N 0 1 314.267 3.566 20 5 DHBDMN Cc1ccc(CN2CC(Cc3ccsc3)C2)cc1[N+](=O)[O-] ZINC000598678129 1038815493 /nfs/dbraw/zinc/81/54/93/1038815493.db2.gz NBPHVDJNASNECC-UHFFFAOYSA-N 0 1 302.399 3.639 20 5 DHBDMN Cc1ccc(CN[C@@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000598994003 1038985402 /nfs/dbraw/zinc/98/54/02/1038985402.db2.gz VOPPVVMVMDWMJW-GOSISDBHSA-N 0 1 311.385 3.929 20 5 DHBDMN Cc1ccc(CN[C@H](c2ccccn2)C2CCC2)cc1[N+](=O)[O-] ZINC000598994005 1038986956 /nfs/dbraw/zinc/98/69/56/1038986956.db2.gz VOPPVVMVMDWMJW-SFHVURJKSA-N 0 1 311.385 3.929 20 5 DHBDMN CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593739608 1039139315 /nfs/dbraw/zinc/13/93/15/1039139315.db2.gz DHVLYRUDTFRKGG-DOMZBBRYSA-N 0 1 320.389 3.694 20 5 DHBDMN COCc1csc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000594725079 1039899406 /nfs/dbraw/zinc/89/94/06/1039899406.db2.gz JJMGJSWQQWRRGQ-LLVKDONJSA-N 0 1 306.387 3.654 20 5 DHBDMN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595031431 1040039766 /nfs/dbraw/zinc/03/97/66/1040039766.db2.gz GPVYHGUMRSWHSU-NXEZZACHSA-N 0 1 320.311 3.985 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1cscc1C ZINC000595047114 1040049108 /nfs/dbraw/zinc/04/91/08/1040049108.db2.gz RGTQRFHGJUBJPV-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1c([C@H](C)N[C@H](c2ccccc2)[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000595103657 1040067003 /nfs/dbraw/zinc/06/70/03/1040067003.db2.gz NOQCJGKNEIUWGZ-IYOUNJFTSA-N 0 1 314.385 3.676 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595785291 1040251127 /nfs/dbraw/zinc/25/11/27/1040251127.db2.gz DACGJCBYMJMLSA-YOEHRIQHSA-N 0 1 322.380 3.515 20 5 DHBDMN CO[C@H](CSCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593195760 1040487637 /nfs/dbraw/zinc/48/76/37/1040487637.db2.gz JFHGUINJIOHQRJ-MRXNPFEDSA-N 0 1 319.382 3.921 20 5 DHBDMN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccncc1 ZINC000596592981 1040505628 /nfs/dbraw/zinc/50/56/28/1040505628.db2.gz OFBIGJQOYMEHSX-KRWDZBQOSA-N 0 1 311.385 3.615 20 5 DHBDMN CCC(CC)[C@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803360 1041226242 /nfs/dbraw/zinc/22/62/42/1041226242.db2.gz XGEOKRAXJPZIPI-INIZCTEOSA-N 0 1 316.405 3.595 20 5 DHBDMN COc1ccsc1[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274614572 130249692 /nfs/dbraw/zinc/24/96/92/130249692.db2.gz UOYMFDWSDAGOBJ-JTQLQIEISA-N 0 1 322.386 3.524 20 5 DHBDMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293596536 131749241 /nfs/dbraw/zinc/74/92/41/131749241.db2.gz FUTZZWHYDZMQFQ-NWDGAFQWSA-N 0 1 315.373 3.597 20 5 DHBDMN Cc1cnc(Nc2ccn([C@@H](C)c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000610735282 435355671 /nfs/dbraw/zinc/35/56/71/435355671.db2.gz SWOAQBTVDWCIIK-ZDUSSCGKSA-N 0 1 323.356 3.848 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1/C=C\c1ccc2cccc(O)c2n1 ZINC000448112571 332521661 /nfs/dbraw/zinc/52/16/61/332521661.db2.gz FJWDGNHJHMWZKY-ALCCZGGFSA-N 0 1 308.293 3.725 20 5 DHBDMN Cc1c(CNCc2cc(F)c(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000318358293 332690808 /nfs/dbraw/zinc/69/08/08/332690808.db2.gz YOZZHJBYVDMVHY-UHFFFAOYSA-N 0 1 310.275 3.610 20 5 DHBDMN CN(C)Cc1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000466417526 333019328 /nfs/dbraw/zinc/01/93/28/333019328.db2.gz QORNFKMWCXOLIW-UHFFFAOYSA-N 0 1 319.792 3.922 20 5 DHBDMN Cc1cscc1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000387750942 333170107 /nfs/dbraw/zinc/17/01/07/333170107.db2.gz CUTHVUYIWFGQGS-UHFFFAOYSA-N 0 1 313.382 3.855 20 5 DHBDMN COC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985174 333171303 /nfs/dbraw/zinc/17/13/03/333171303.db2.gz VKKKRORJFRBCAI-YVEFUNNKSA-N 0 1 318.348 3.772 20 5 DHBDMN COc1ncc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000271652206 334024934 /nfs/dbraw/zinc/02/49/34/334024934.db2.gz JGSZYGMDIXLPCN-JTQLQIEISA-N 0 1 321.764 3.503 20 5 DHBDMN C[C@@H](NCc1ccccc1OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296273514 334231093 /nfs/dbraw/zinc/23/10/93/334231093.db2.gz KLGLPBXIAMMCFI-CYBMUJFWSA-N 0 1 312.369 3.987 20 5 DHBDMN Cc1ncc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417311933 334705095 /nfs/dbraw/zinc/70/50/95/334705095.db2.gz MPZGGCXNTRIAJK-MRXNPFEDSA-N 0 1 317.414 3.917 20 5 DHBDMN Cc1ccc2nc(CN[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000344002382 335206919 /nfs/dbraw/zinc/20/69/19/335206919.db2.gz HOXINUGBTGBXFH-LBPRGKRZSA-N 0 1 310.357 3.630 20 5 DHBDMN CC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000348638196 335600778 /nfs/dbraw/zinc/60/07/78/335600778.db2.gz DZVCXPWDRGHDIC-LRDDRELGSA-N 0 1 315.373 3.800 20 5 DHBDMN CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351970438 336184294 /nfs/dbraw/zinc/18/42/94/336184294.db2.gz BYGVNWKOAFHLBC-UHFFFAOYSA-N 0 1 300.358 3.626 20 5 DHBDMN CN(C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000301060691 336287762 /nfs/dbraw/zinc/28/77/62/336287762.db2.gz RULPQCAIGQZBQL-CYBMUJFWSA-N 0 1 309.753 3.556 20 5 DHBDMN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000301088905 336289435 /nfs/dbraw/zinc/28/94/35/336289435.db2.gz LUFSOFQKKIGCFO-LBPRGKRZSA-N 0 1 317.414 3.515 20 5 DHBDMN Cc1cc(N2C[C@@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302159748 336351505 /nfs/dbraw/zinc/35/15/05/336351505.db2.gz JOVVVSMFKHGAPC-TXEJJXNPSA-N 0 1 317.414 3.782 20 5 DHBDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000582580418 337108172 /nfs/dbraw/zinc/10/81/72/337108172.db2.gz ONGFQSQDKOYCKC-HNNXBMFYSA-N 0 1 323.356 3.516 20 5 DHBDMN CCS[C@H]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349428 337140859 /nfs/dbraw/zinc/14/08/59/337140859.db2.gz JKLRWVBRFQKMLR-NEPJUHHUSA-N 0 1 300.449 3.762 20 5 DHBDMN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(-n2ccnc2)c1 ZINC000180651051 337176950 /nfs/dbraw/zinc/17/69/50/337176950.db2.gz DYWDWMNGZFEHBT-CQSZACIVSA-N 0 1 322.368 3.631 20 5 DHBDMN COc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000582855875 337211163 /nfs/dbraw/zinc/21/11/63/337211163.db2.gz FQYDOOAGJNMVCZ-OAHLLOKOSA-N 0 1 316.332 3.520 20 5 DHBDMN C[C@@H](N(C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)(C)C ZINC000532928542 337393177 /nfs/dbraw/zinc/39/31/77/337393177.db2.gz NJPISLIOQGEAJW-LLVKDONJSA-N 0 1 318.377 3.511 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(OC2CCC2)CC1 ZINC000419286916 337478288 /nfs/dbraw/zinc/47/82/88/337478288.db2.gz PCBXLQAOVLJFPF-CYBMUJFWSA-N 0 1 304.390 3.689 20 5 DHBDMN CC1(C)Cc2occc2[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000089512484 337870490 /nfs/dbraw/zinc/87/04/90/337870490.db2.gz LWWMQMIIQMDCNR-CQSZACIVSA-N 0 1 300.358 3.991 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1COCc2ccccc21 ZINC000515221755 337982476 /nfs/dbraw/zinc/98/24/76/337982476.db2.gz OSSQGYPWDXYMMB-FZKQIMNGSA-N 0 1 312.369 3.825 20 5 DHBDMN Cc1cc(N(C)Cc2cccc(O)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000516363858 338011977 /nfs/dbraw/zinc/01/19/77/338011977.db2.gz XXEVJBMKDBIIRK-UHFFFAOYSA-N 0 1 323.352 3.793 20 5 DHBDMN CC(C)c1ccccc1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000426366866 338029040 /nfs/dbraw/zinc/02/90/40/338029040.db2.gz SYODNNPHKGUKQH-UHFFFAOYSA-N 0 1 314.341 3.700 20 5 DHBDMN CSc1ccc2nc(-c3ccc([N+](=O)[O-])cc3F)[nH]c2c1 ZINC000435683018 338245161 /nfs/dbraw/zinc/24/51/61/338245161.db2.gz PETMFBSLZKYSLP-UHFFFAOYSA-N 0 1 303.318 3.999 20 5 DHBDMN CC(C)[C@H](CC(F)(F)F)NCc1ccc([N+](=O)[O-])cc1F ZINC000438472558 338345057 /nfs/dbraw/zinc/34/50/57/338345057.db2.gz PTDSDZZOVNBPEU-LBPRGKRZSA-N 0 1 308.275 3.801 20 5 DHBDMN CC[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246153 338813617 /nfs/dbraw/zinc/81/36/17/338813617.db2.gz MJKBGZGAYHHKMJ-FPMFFAJLSA-N 0 1 312.360 3.939 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCOC2(CCCC2)C1 ZINC000470178814 339313006 /nfs/dbraw/zinc/31/30/06/339313006.db2.gz OKBIKNHOGNSZCO-PTNGSMBKSA-N 0 1 316.401 3.643 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN1CCCc2ccccc2C1 ZINC000498921535 340026052 /nfs/dbraw/zinc/02/60/52/340026052.db2.gz FPMOFPSLDSXCHX-UHFFFAOYSA-N 0 1 312.369 3.552 20 5 DHBDMN CCC[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000505612494 340173030 /nfs/dbraw/zinc/17/30/30/340173030.db2.gz SCDJHBOXSPLKGM-UHFFFAOYSA-N 0 1 300.358 3.713 20 5 DHBDMN Cc1[nH]c2ccc(CNCc3ccccc3[N+](=O)[O-])cc2c1C ZINC000509598544 340274440 /nfs/dbraw/zinc/27/44/40/340274440.db2.gz GDESIXASNFNOFV-UHFFFAOYSA-N 0 1 309.369 3.983 20 5 DHBDMN CC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000511522690 340329195 /nfs/dbraw/zinc/32/91/95/340329195.db2.gz MVEQOHRLHITXNF-LLVKDONJSA-N 0 1 300.305 3.571 20 5 DHBDMN COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000537986475 340805676 /nfs/dbraw/zinc/80/56/76/340805676.db2.gz IHPUBCHMUMTZGB-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CCc1ccc([C@H](NC2CCC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000542494864 341010307 /nfs/dbraw/zinc/01/03/07/341010307.db2.gz QBCVUMUIYVMQMK-QGZVFWFLSA-N 0 1 300.358 3.982 20 5 DHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](C)c1ccon1 ZINC000542699566 341017826 /nfs/dbraw/zinc/01/78/26/341017826.db2.gz JLXZOCTVDYOTMM-RYUDHWBXSA-N 0 1 321.402 3.804 20 5 DHBDMN C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000546832268 341183330 /nfs/dbraw/zinc/18/33/30/341183330.db2.gz ZKXTZMFXCLTOSV-LLVKDONJSA-N 0 1 303.362 3.604 20 5 DHBDMN COc1cc(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000550444418 341317206 /nfs/dbraw/zinc/31/72/06/341317206.db2.gz UXPNMWXZVDLCQN-OCCSQVGLSA-N 0 1 322.380 3.753 20 5 DHBDMN C[C@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000245930590 341318717 /nfs/dbraw/zinc/31/87/17/341318717.db2.gz PEJYWBCYMGZTIS-QWHCGFSZSA-N 0 1 315.373 3.728 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)cc1 ZINC000084137379 341357719 /nfs/dbraw/zinc/35/77/19/341357719.db2.gz JTNOREFBGYQYCQ-UHFFFAOYSA-N 0 1 302.296 3.759 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)C1CC1 ZINC000192502891 341870061 /nfs/dbraw/zinc/87/00/61/341870061.db2.gz PONOLXMEDFDSLL-GOSISDBHSA-N 0 1 312.369 3.844 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000161616801 522917609 /nfs/dbraw/zinc/91/76/09/522917609.db2.gz DTCMIALQZKLFBO-BLLLJJGKSA-N 0 1 302.378 3.613 20 5 DHBDMN COc1ccc(F)cc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000179947054 524332980 /nfs/dbraw/zinc/33/29/80/524332980.db2.gz CQYSQNZJLCJWRZ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@H](N[C@H]1CCOc2c(F)cccc21)c1ccc([N+](=O)[O-])cc1 ZINC000188055851 525627146 /nfs/dbraw/zinc/62/71/46/525627146.db2.gz AMNUFGBGFSHXBZ-ZBEGNZNMSA-N 0 1 316.332 3.908 20 5 DHBDMN C[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccc([N+](=O)[O-])cc1 ZINC000180718658 525688113 /nfs/dbraw/zinc/68/81/13/525688113.db2.gz BFAXQPAGOLXVQC-BZNIZROVSA-N 0 1 316.332 3.908 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(C2CC2)n[nH]1 ZINC000180024241 526090106 /nfs/dbraw/zinc/09/01/06/526090106.db2.gz NFUZUIQOBOLGGL-SECBINFHSA-N 0 1 304.375 3.752 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1n[nH]c(C2CC2)n1 ZINC000180024241 526090111 /nfs/dbraw/zinc/09/01/11/526090111.db2.gz NFUZUIQOBOLGGL-SECBINFHSA-N 0 1 304.375 3.752 20 5 DHBDMN Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cccc([N+](=O)[O-])c1C ZINC000130613923 526524193 /nfs/dbraw/zinc/52/41/93/526524193.db2.gz DIEJASUTKFAMPC-MRXNPFEDSA-N 0 1 314.389 3.580 20 5 DHBDMN COCC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000272518813 536819532 /nfs/dbraw/zinc/81/95/32/536819532.db2.gz HLLGEQIYJSYUJT-HIFRSBDPSA-N 0 1 318.373 3.925 20 5 DHBDMN COc1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000015309463 1013274795 /nfs/dbraw/zinc/27/47/95/1013274795.db2.gz YTRZNMQPONWUOJ-UHFFFAOYSA-N 0 1 312.369 3.768 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000263038489 962159758 /nfs/dbraw/zinc/15/97/58/962159758.db2.gz CBTYJTFFSBFBEM-UONOGXRCSA-N 0 1 320.389 3.541 20 5 DHBDMN CC(=O)n1ccc2cc(Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC001210397753 1013831615 /nfs/dbraw/zinc/83/16/15/1013831615.db2.gz FZAOYMZSERSTJN-UHFFFAOYSA-N 0 1 311.297 3.659 20 5 DHBDMN COc1cc([C@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000340527696 1013918304 /nfs/dbraw/zinc/91/83/04/1013918304.db2.gz XZJZEQYYFJXMIF-OLZOCXBDSA-N 0 1 315.373 3.719 20 5 DHBDMN N=C(N)N(c1ccc(F)cc1)c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167997969 1014158221 /nfs/dbraw/zinc/15/82/21/1014158221.db2.gz COXPZRPTRBTZHD-UHFFFAOYSA-N 0 1 324.315 3.919 20 5 DHBDMN C[C@H](c1cccs1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734258 974984399 /nfs/dbraw/zinc/98/43/99/974984399.db2.gz CBXLDTITFWUJQT-SNVBAGLBSA-N 0 1 320.370 3.548 20 5 DHBDMN C[C@H](c1cccs1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734258 974984406 /nfs/dbraw/zinc/98/44/06/974984406.db2.gz CBXLDTITFWUJQT-SNVBAGLBSA-N 0 1 320.370 3.548 20 5 DHBDMN CCCC[C@H](C)N(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000581576852 1015008142 /nfs/dbraw/zinc/00/81/42/1015008142.db2.gz ADWWOAZBKTVSAY-LBPRGKRZSA-N 0 1 318.377 3.655 20 5 DHBDMN O=[N+]([O-])c1sccc1NC[C@@H](c1cccs1)N1CCCC1 ZINC000610514234 1015052347 /nfs/dbraw/zinc/05/23/47/1015052347.db2.gz ZRZQIMUQWSRMTR-LBPRGKRZSA-N 0 1 323.443 3.967 20 5 DHBDMN COc1cc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676007 1015092077 /nfs/dbraw/zinc/09/20/77/1015092077.db2.gz BTXTWXDTDPNHOY-CHWSQXEVSA-N 0 1 315.373 3.719 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000610786671 1015785979 /nfs/dbraw/zinc/78/59/79/1015785979.db2.gz HJYXAGAYGWJSJK-UHFFFAOYSA-N 0 1 316.332 3.609 20 5 DHBDMN COc1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1F ZINC000178530294 1016323136 /nfs/dbraw/zinc/32/31/36/1016323136.db2.gz OZSFLAKUZLREHZ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1nc(C)c(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000119846016 1016376650 /nfs/dbraw/zinc/37/66/50/1016376650.db2.gz GROVKVBQIGXWPI-SNVBAGLBSA-N 0 1 305.403 3.827 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](OC(F)F)C1 ZINC000611579722 1016458859 /nfs/dbraw/zinc/45/88/59/1016458859.db2.gz NRIXTWXRFQJGAR-DGCLKSJQSA-N 0 1 314.332 3.668 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCCC(=O)OC(C)(C)C ZINC000444230380 1016887246 /nfs/dbraw/zinc/88/72/46/1016887246.db2.gz YEZZQRCAMOGLEM-ZDUSSCGKSA-N 0 1 322.405 3.710 20 5 DHBDMN COCCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000479581159 1017006822 /nfs/dbraw/zinc/00/68/22/1017006822.db2.gz UHDFJWJKYVNILY-HNNXBMFYSA-N 0 1 314.385 3.804 20 5 DHBDMN C[C@@H](C1CC1)N(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235081695 1017054138 /nfs/dbraw/zinc/05/41/38/1017054138.db2.gz CXROJOWOUPKTRR-VIFPVBQESA-N 0 1 313.195 3.588 20 5 DHBDMN COc1cc(CN2CC[C@H](C)C3(CCC3)C2)c([N+](=O)[O-])cc1F ZINC000362181291 1032262531 /nfs/dbraw/zinc/26/25/31/1032262531.db2.gz OSCCQYPVAIQENU-LBPRGKRZSA-N 0 1 322.380 3.755 20 5 DHBDMN COc1cc(CN[C@H](C)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000348110418 1032464422 /nfs/dbraw/zinc/46/44/22/1032464422.db2.gz MTIDUUWCYBYMBS-LLVKDONJSA-N 0 1 304.346 3.664 20 5 DHBDMN Cc1cc(N2CCCc3occc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000515700293 1012697941 /nfs/dbraw/zinc/69/79/41/1012697941.db2.gz OIVSUITVBGAUJU-UHFFFAOYSA-N 0 1 323.352 3.997 20 5 DHBDMN Cc1c(CN[C@@H]2CCCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000322591624 1013017686 /nfs/dbraw/zinc/01/76/86/1013017686.db2.gz GHVVHJMDNMWXGH-QGZVFWFLSA-N 0 1 312.369 3.776 20 5 DHBDMN CC[C@@H](C)[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444651437 1017607844 /nfs/dbraw/zinc/60/78/44/1017607844.db2.gz VFZOYRLTQVVBCV-WBMJQRKESA-N 0 1 316.405 3.872 20 5 DHBDMN CCC[C@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689505 1017630925 /nfs/dbraw/zinc/63/09/25/1017630925.db2.gz NQZOZCURMFPIKB-LBPRGKRZSA-N 0 1 302.378 3.626 20 5 DHBDMN CCC[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444689504 1017632224 /nfs/dbraw/zinc/63/22/24/1017632224.db2.gz NQZOZCURMFPIKB-GFCCVEGCSA-N 0 1 302.378 3.626 20 5 DHBDMN COc1cc(CN(C)Cc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000444726809 1017652917 /nfs/dbraw/zinc/65/29/17/1017652917.db2.gz BOVRBISJFXGQBJ-UHFFFAOYSA-N 0 1 318.348 3.683 20 5 DHBDMN COc1cc(CN2CCC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000444769773 1017668795 /nfs/dbraw/zinc/66/87/95/1017668795.db2.gz JNFGTNPWPCJELP-GFCCVEGCSA-N 0 1 310.369 3.611 20 5 DHBDMN CCC[C@@H](NCc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000171140781 1017870453 /nfs/dbraw/zinc/87/04/53/1017870453.db2.gz XAKGYJOSTYJPMI-MRXNPFEDSA-N 0 1 315.373 3.629 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](CC(F)(F)F)C1 ZINC000278116450 1018156071 /nfs/dbraw/zinc/15/60/71/1018156071.db2.gz ANFQAIBVOWXCJX-PYEVWLCESA-N 0 1 314.307 3.882 20 5 DHBDMN CCC[C@]1(COC)CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000447384595 1018384764 /nfs/dbraw/zinc/38/47/64/1018384764.db2.gz MTVKUALTZMREIY-MRXNPFEDSA-N 0 1 310.369 3.515 20 5 DHBDMN CN1Cc2ccccc2[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000536023721 1018459968 /nfs/dbraw/zinc/45/99/68/1018459968.db2.gz WOMRNCROIFFNEF-HNNXBMFYSA-N 0 1 317.776 3.847 20 5 DHBDMN CCc1noc(C)c1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340440898 1018608210 /nfs/dbraw/zinc/60/82/10/1018608210.db2.gz TTXDVIBTIKLTRO-KRWDZBQOSA-N 0 1 315.373 3.621 20 5 DHBDMN CC[C@H](C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171950334 1018854813 /nfs/dbraw/zinc/85/48/13/1018854813.db2.gz XCSHBYUYNSVHJO-RYUDHWBXSA-N 0 1 318.377 3.684 20 5 DHBDMN CCC[C@H](NC[C@@H](OC)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000777010204 1032818703 /nfs/dbraw/zinc/81/87/03/1032818703.db2.gz YMHKYMKHZGITPU-QWHCGFSZSA-N 0 1 320.311 3.603 20 5 DHBDMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000090844555 1019420460 /nfs/dbraw/zinc/42/04/60/1019420460.db2.gz UPMMGUIGBBEARD-UGSOOPFHSA-N 0 1 314.385 3.541 20 5 DHBDMN O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCC[C@@H]2C2CC2)c1 ZINC000611268525 1019427971 /nfs/dbraw/zinc/42/79/71/1019427971.db2.gz CRUHQIBYAUXOPQ-CYBMUJFWSA-N 0 1 312.316 3.571 20 5 DHBDMN C[C@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555204 1019517191 /nfs/dbraw/zinc/51/71/91/1019517191.db2.gz RHLRQKLAKOXVGL-JQWIXIFHSA-N 0 1 302.296 3.758 20 5 DHBDMN CN[C@@H](CC(C)(C)C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238302 1019965966 /nfs/dbraw/zinc/96/59/66/1019965966.db2.gz OTVAMATZDLCIAR-LBPRGKRZSA-N 0 1 318.377 3.650 20 5 DHBDMN COCC1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093103651 1020134078 /nfs/dbraw/zinc/13/40/78/1020134078.db2.gz HCXYFZXSQPCTEI-UHFFFAOYSA-N 0 1 306.406 3.577 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000154917115 1020164609 /nfs/dbraw/zinc/16/46/09/1020164609.db2.gz BVTBHBOOQMCQMN-QGZVFWFLSA-N 0 1 311.385 3.671 20 5 DHBDMN CC1(C)CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000330545813 1020232171 /nfs/dbraw/zinc/23/21/71/1020232171.db2.gz ZRWBTDFYGZHJLC-UHFFFAOYSA-N 0 1 315.373 3.872 20 5 DHBDMN CC(C)N(Cc1cnn2ccccc12)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320486 1020251773 /nfs/dbraw/zinc/25/17/73/1020251773.db2.gz KOBNLXXXNZSMKS-UHFFFAOYSA-N 0 1 324.384 3.653 20 5 DHBDMN CC1(C)CCCN(Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000732980876 1020310225 /nfs/dbraw/zinc/31/02/25/1020310225.db2.gz OYGAFXPVFTXVDY-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN COc1cc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000347631181 1020356514 /nfs/dbraw/zinc/35/65/14/1020356514.db2.gz BERUDVSMNGUNOT-QWHCGFSZSA-N 0 1 315.373 3.719 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000282627608 1020371469 /nfs/dbraw/zinc/37/14/69/1020371469.db2.gz ANNJTSALZJRATN-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN CCOc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000580849075 1020860825 /nfs/dbraw/zinc/86/08/25/1020860825.db2.gz ZPOYEUNSFNOZHX-UHFFFAOYSA-N 0 1 320.776 3.937 20 5 DHBDMN Cc1occc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414391762 1021178280 /nfs/dbraw/zinc/17/82/80/1021178280.db2.gz CCDVWUYOWNZXQB-UHFFFAOYSA-N 0 1 316.357 3.540 20 5 DHBDMN O=C(OC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000917939601 1021399683 /nfs/dbraw/zinc/39/96/83/1021399683.db2.gz WWZGBTDREJDVQC-UHFFFAOYSA-N 0 1 322.320 3.869 20 5 DHBDMN Cc1c(CN(C)Cc2cc(C(C)(C)C)[nH]n2)cccc1[N+](=O)[O-] ZINC000556054194 1021504240 /nfs/dbraw/zinc/50/42/40/1021504240.db2.gz IABPCONJBSVNBF-UHFFFAOYSA-N 0 1 316.405 3.556 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN(Cc1ccccn1)C1CC1 ZINC000290347075 1021910349 /nfs/dbraw/zinc/91/03/49/1021910349.db2.gz FVOCEVGBYRSCEJ-FNORWQNLSA-N 0 1 309.369 3.668 20 5 DHBDMN CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)c1cccnc1 ZINC000290628802 1022103692 /nfs/dbraw/zinc/10/36/92/1022103692.db2.gz XTETUMJSFWIRSG-CYBMUJFWSA-N 0 1 315.373 3.582 20 5 DHBDMN Cc1c(CN2CCC(OC3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000195326863 1022108353 /nfs/dbraw/zinc/10/83/53/1022108353.db2.gz XOUPAKOORYHUHZ-UHFFFAOYSA-N 0 1 318.417 3.827 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(C[C@@H]2CC[C@@H](C3CC3)O2)C2CC2)c1 ZINC001167735354 1022228410 /nfs/dbraw/zinc/22/84/10/1022228410.db2.gz ZUEZOMHFZJCUDS-ROUUACIJSA-N 0 1 316.401 3.517 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCS[C@H](c3ccccc3)C2)cc1 ZINC000609800983 1022352492 /nfs/dbraw/zinc/35/24/92/1022352492.db2.gz ZJHDIHBMHQWWKD-KRWDZBQOSA-N 0 1 314.410 3.885 20 5 DHBDMN CC1(C)Cc2cc(CNCc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000103340244 1022499372 /nfs/dbraw/zinc/49/93/72/1022499372.db2.gz YOPWFADGNULDJI-UHFFFAOYSA-N 0 1 312.369 3.598 20 5 DHBDMN Cc1c(CN[C@H]2CCc3c2cc(F)cc3F)cccc1[N+](=O)[O-] ZINC000616289612 1022683638 /nfs/dbraw/zinc/68/36/38/1022683638.db2.gz DDBAXZTXRADCOU-INIZCTEOSA-N 0 1 318.323 3.959 20 5 DHBDMN CCc1nc([C@@H](C)NCCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000184695922 1023076466 /nfs/dbraw/zinc/07/64/66/1023076466.db2.gz SNJVVRDWFWWIFB-LLVKDONJSA-N 0 1 305.403 3.507 20 5 DHBDMN C[C@@H]1C[C@@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769471230 1023161715 /nfs/dbraw/zinc/16/17/15/1023161715.db2.gz RNMAZLFRYQOEAJ-NXEZZACHSA-N 0 1 313.195 3.588 20 5 DHBDMN Cc1ccc(NC(=O)c2c(O)cccc2Cl)cc1[N+](=O)[O-] ZINC000769585141 1023182930 /nfs/dbraw/zinc/18/29/30/1023182930.db2.gz KUQORFXDYDPIFW-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684771 1023918790 /nfs/dbraw/zinc/91/87/90/1023918790.db2.gz FADHEDMVPPTXNS-LKFCYVNXSA-N 0 1 318.377 3.584 20 5 DHBDMN CC(C)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000538790941 1033189434 /nfs/dbraw/zinc/18/94/34/1033189434.db2.gz YPPJWALXJQXRFF-LLVKDONJSA-N 0 1 314.332 3.674 20 5 DHBDMN CC[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246157 1024423423 /nfs/dbraw/zinc/42/34/23/1024423423.db2.gz MJKBGZGAYHHKMJ-XBFCOCLRSA-N 0 1 312.360 3.939 20 5 DHBDMN CC[C@H](N[C@H](C)c1n[nH]c(C(C)C)n1)c1cccc([N+](=O)[O-])c1 ZINC000271473154 1024516139 /nfs/dbraw/zinc/51/61/39/1024516139.db2.gz IPCXVTUCFDDMBB-RISCZKNCSA-N 0 1 317.393 3.638 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@H](c1ccc(F)cc1)C1CC1 ZINC000269648014 1024773194 /nfs/dbraw/zinc/77/31/94/1024773194.db2.gz GYDMQGUSBIGJRX-KRWDZBQOSA-N 0 1 300.333 3.975 20 5 DHBDMN CC(C)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865933 1024808691 /nfs/dbraw/zinc/80/86/91/1024808691.db2.gz DLJVZRQJPTZDOZ-AWEZNQCLSA-N 0 1 307.350 3.514 20 5 DHBDMN COc1cc(C)ccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000119804341 1024993590 /nfs/dbraw/zinc/99/35/90/1024993590.db2.gz WLHGIONXRLIWQT-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000793351211 1025019866 /nfs/dbraw/zinc/01/98/66/1025019866.db2.gz HERMLTBBZBBJCS-ZDUSSCGKSA-N 0 1 307.350 3.514 20 5 DHBDMN Cc1nc(C2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)[nH]c1C ZINC000884707297 1025230887 /nfs/dbraw/zinc/23/08/87/1025230887.db2.gz GEFKUNWZTDPRRK-UHFFFAOYSA-N 0 1 314.389 3.627 20 5 DHBDMN CC(C)(NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000886350167 1025599234 /nfs/dbraw/zinc/59/92/34/1025599234.db2.gz LHZHJAFECSKMSQ-UHFFFAOYSA-N 0 1 322.311 3.604 20 5 DHBDMN C[C@H](N[C@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134841 1025778097 /nfs/dbraw/zinc/77/80/97/1025778097.db2.gz OOOPIIGJVBYLMO-HZMBPMFUSA-N 0 1 317.776 3.981 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289640445 1026110107 /nfs/dbraw/zinc/11/01/07/1026110107.db2.gz FOLGJPBOHMPOJX-KCXAZCMYSA-N 0 1 304.390 3.545 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289652353 1026113220 /nfs/dbraw/zinc/11/32/20/1026113220.db2.gz TWFCIOPFHZVQDF-KBRIMQKVSA-N 0 1 316.401 3.689 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc2nc[nH]c2c1 ZINC000600852590 1027866470 /nfs/dbraw/zinc/86/64/70/1027866470.db2.gz QHBCGCOGJVWWBC-UHFFFAOYSA-N 0 1 302.721 3.737 20 5 DHBDMN CC(C)c1ccc(CN[C@@H]2CCCn3nccc32)cc1[N+](=O)[O-] ZINC000601173595 1028013135 /nfs/dbraw/zinc/01/31/35/1028013135.db2.gz DIBWEOXPOJCYIU-OAHLLOKOSA-N 0 1 314.389 3.539 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C[C@H]1C(F)(F)F)CCC2 ZINC000601306100 1028071079 /nfs/dbraw/zinc/07/10/79/1028071079.db2.gz AKUKTVBDZDVVDG-FRRDWIJNSA-N 0 1 300.280 3.513 20 5 DHBDMN CC(C)n1cc([C@@H](C)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000579258183 1028362581 /nfs/dbraw/zinc/36/25/81/1028362581.db2.gz DYEIDVQDCVSPMB-MLGOLLRUSA-N 0 1 314.389 3.710 20 5 DHBDMN CON(Cc1ccccc1Cl)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000815118459 1028364589 /nfs/dbraw/zinc/36/45/89/1028364589.db2.gz IBNHWMKSSYPRLS-UHFFFAOYSA-N 0 1 322.748 3.517 20 5 DHBDMN COc1cccc(C2(N[C@@H](C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000564789134 1028502965 /nfs/dbraw/zinc/50/29/65/1028502965.db2.gz PXUPWKQUQBFUFF-ZDUSSCGKSA-N 0 1 312.369 3.943 20 5 DHBDMN COc1cccc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)c1 ZINC000009902461 1028523332 /nfs/dbraw/zinc/52/33/32/1028523332.db2.gz ZMALESNVUFBESL-SFHVURJKSA-N 0 1 312.369 3.941 20 5 DHBDMN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC3(CC3)C2)s1 ZINC000449371552 1028582205 /nfs/dbraw/zinc/58/22/05/1028582205.db2.gz WEMSWIGTAUCLQD-UHFFFAOYSA-N 0 1 300.383 3.919 20 5 DHBDMN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)C ZINC000566248088 1028691671 /nfs/dbraw/zinc/69/16/71/1028691671.db2.gz LQNWHUTUJRHWQH-UHFFFAOYSA-N 0 1 305.403 3.949 20 5 DHBDMN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3ccncc3F)C2)cc1 ZINC000449499154 1028714047 /nfs/dbraw/zinc/71/40/47/1028714047.db2.gz LOVPWAIYFZUSDT-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@H]2N[C@@H]1CCc2c1cccc2O ZINC000567061511 1028827952 /nfs/dbraw/zinc/82/79/52/1028827952.db2.gz YQUIUIPZWKCHHF-HZPDHXFCSA-N 0 1 310.353 3.565 20 5 DHBDMN Cc1ccc([C@@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000569990517 1029298266 /nfs/dbraw/zinc/29/82/66/1029298266.db2.gz JMGXLBPZQMBXRG-KRWDZBQOSA-N 0 1 312.369 3.946 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CSC1=Nc2ccccc2C1 ZINC000821077720 1029809091 /nfs/dbraw/zinc/80/90/91/1029809091.db2.gz AFSBIWCNYAHUKH-UHFFFAOYSA-N 0 1 300.339 3.820 20 5 DHBDMN COc1cc(CN[C@H](C)c2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000451164804 1029809368 /nfs/dbraw/zinc/80/93/68/1029809368.db2.gz LCSPVYVNSCLEBJ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1nc([C@@H](C)Nc2c(Cl)c(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000865804257 1030031002 /nfs/dbraw/zinc/03/10/02/1030031002.db2.gz VFVSXNDBBXUAAF-RXMQYKEDSA-N 0 1 316.148 3.501 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)c(F)c1 ZINC000865830639 1030048079 /nfs/dbraw/zinc/04/80/79/1030048079.db2.gz SHSNMDFDZABTQJ-DGCLKSJQSA-N 0 1 318.270 3.721 20 5 DHBDMN CC[C@@H](C)n1ncc(Nc2nc3sccn3c2[N+](=O)[O-])c1C ZINC000357640643 1030135207 /nfs/dbraw/zinc/13/52/07/1030135207.db2.gz WLUHWYYYCRXSEB-MRVPVSSYSA-N 0 1 320.378 3.524 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(c1ccnc3ccccc31)CCO2 ZINC000357774914 1030182120 /nfs/dbraw/zinc/18/21/20/1030182120.db2.gz MZAOZHSVYQGJKH-UHFFFAOYSA-N 0 1 321.336 3.542 20 5 DHBDMN CCC[C@H](NCc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000866474738 1030313094 /nfs/dbraw/zinc/31/30/94/1030313094.db2.gz RXBHNHQAGSOBTC-HNNXBMFYSA-N 0 1 303.337 3.760 20 5 DHBDMN COCc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291752530 1030627392 /nfs/dbraw/zinc/62/73/92/1030627392.db2.gz QIJPLOGEQOQQKV-UHFFFAOYSA-N 0 1 314.385 3.766 20 5 DHBDMN Cc1c([C@@H](C)NCc2cccc3c2OCC3)cccc1[N+](=O)[O-] ZINC000927089765 1031081522 /nfs/dbraw/zinc/08/15/22/1031081522.db2.gz DYTKXKKSYWXBNG-CYBMUJFWSA-N 0 1 312.369 3.689 20 5 DHBDMN C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559095252 1031119631 /nfs/dbraw/zinc/11/96/31/1031119631.db2.gz WCVQXZHDWCSILZ-UHFFFAOYSA-N 0 1 320.776 3.628 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(C3CC3)cc2)c(F)c1 ZINC000359796921 1031140047 /nfs/dbraw/zinc/14/00/47/1031140047.db2.gz LISLIDQPTBRXDO-UHFFFAOYSA-N 0 1 300.333 3.901 20 5 DHBDMN CC1(C)CC[C@@H](CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000360124916 1031285085 /nfs/dbraw/zinc/28/50/85/1031285085.db2.gz VMEDRXNXRUYJCD-INIZCTEOSA-N 0 1 304.390 3.517 20 5 DHBDMN Cc1nc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])sc1C ZINC000872043872 1031431685 /nfs/dbraw/zinc/43/16/85/1031431685.db2.gz NCNXFIAINVDHPF-SNVBAGLBSA-N 0 1 323.393 3.701 20 5 DHBDMN Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053925 1031443387 /nfs/dbraw/zinc/44/33/87/1031443387.db2.gz YLVYECSCSFRTEH-ZJUUUORDSA-N 0 1 321.352 3.793 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NC1CC(F)(F)C1 ZINC000872066041 1031460025 /nfs/dbraw/zinc/46/00/25/1031460025.db2.gz JECVNDGYMZCOOE-QMMMGPOBSA-N 0 1 302.346 3.765 20 5 DHBDMN C[C@H](NCC(C)(C)c1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872075108 1031471675 /nfs/dbraw/zinc/47/16/75/1031471675.db2.gz OHQWCBWJUUXUQX-LBPRGKRZSA-N 0 1 317.364 3.757 20 5 DHBDMN C[C@@H](NC[C@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088473 1031485298 /nfs/dbraw/zinc/48/52/98/1031485298.db2.gz OYGBMTGQMFYCBB-KCJUWKMLSA-N 0 1 302.296 3.676 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](OC2CCC2)CC1 ZINC000872276902 1031573023 /nfs/dbraw/zinc/57/30/23/1031573023.db2.gz UCFMFSKICSDRQA-MRXNPFEDSA-N 0 1 322.380 3.658 20 5 DHBDMN Cc1c(CN2CC(c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] ZINC001206174394 1033340730 /nfs/dbraw/zinc/34/07/30/1033340730.db2.gz MCGGBJZNVRJSPF-UHFFFAOYSA-N 0 1 300.333 3.642 20 5 DHBDMN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCOC2(CCCCC2)C1 ZINC001173231386 1033605155 /nfs/dbraw/zinc/60/51/55/1033605155.db2.gz BYJCYMIIEDHRPR-OAHLLOKOSA-N 0 1 318.417 3.561 20 5 DHBDMN CCCCC[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000878359505 1033672574 /nfs/dbraw/zinc/67/25/74/1033672574.db2.gz NOXSURKZQOKUEL-MRXNPFEDSA-N 0 1 316.405 3.740 20 5 DHBDMN Cc1nc2cc(NCc3cccc([N+](=O)[O-])c3C)ccc2n1C ZINC000864015410 1034256864 /nfs/dbraw/zinc/25/68/64/1034256864.db2.gz DTQAEYHTFMMHSZ-UHFFFAOYSA-N 0 1 310.357 3.710 20 5 DHBDMN Cc1c(CNCc2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000480489341 1034273362 /nfs/dbraw/zinc/27/33/62/1034273362.db2.gz VSYHOXIUUHOHKN-UHFFFAOYSA-N 0 1 322.368 3.583 20 5 DHBDMN CCC[C@@H](N[C@@H](C)c1cnn(C)c1C)c1cccc([N+](=O)[O-])c1 ZINC000192852015 1034710161 /nfs/dbraw/zinc/71/01/61/1034710161.db2.gz OPMRAISCXKUBPN-YVEFUNNKSA-N 0 1 316.405 3.829 20 5 DHBDMN Nc1ccc2cc3ccc(Nc4ccc(=O)[nH]c4)cc3nc2c1 ZINC001176131818 1035201671 /nfs/dbraw/zinc/20/16/71/1035201671.db2.gz DGQAKHKBDBWYKV-UHFFFAOYSA-N 0 1 302.337 3.814 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000483115570 1035228596 /nfs/dbraw/zinc/22/85/96/1035228596.db2.gz YMMNMHAYUIIOIS-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN CCc1ccc2c(c1)[C@@H](NCc1cccc([N+](=O)[O-])c1)CCO2 ZINC001178443902 1035426673 /nfs/dbraw/zinc/42/66/73/1035426673.db2.gz DOCZHNOXSVNQCJ-KRWDZBQOSA-N 0 1 312.369 3.771 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](OCC2CC2)C1 ZINC000494699985 1035777257 /nfs/dbraw/zinc/77/72/57/1035777257.db2.gz AJCNDYSZYSLEOI-DZGCQCFKSA-N 0 1 304.390 3.547 20 5 DHBDMN COc1cc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485710404 1035885883 /nfs/dbraw/zinc/88/58/83/1035885883.db2.gz RHVBWXFFOVSFKM-GFCCVEGCSA-N 0 1 318.348 3.936 20 5 DHBDMN COc1cc(CN(C)[C@H](C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000485710404 1035885903 /nfs/dbraw/zinc/88/59/03/1035885903.db2.gz RHVBWXFFOVSFKM-GFCCVEGCSA-N 0 1 318.348 3.936 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1F ZINC000487680494 1036707814 /nfs/dbraw/zinc/70/78/14/1036707814.db2.gz UAWZJMNNFVNYOA-CYBMUJFWSA-N 0 1 318.348 3.806 20 5 DHBDMN CC(C)(C)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774876769 1037141943 /nfs/dbraw/zinc/14/19/43/1037141943.db2.gz RXOKICIIRSGAHP-AWEZNQCLSA-N 0 1 307.350 3.514 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000775098002 1037591292 /nfs/dbraw/zinc/59/12/92/1037591292.db2.gz NOHUFIPNHYZLKM-UHFFFAOYSA-N 0 1 319.361 3.659 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3cccc(F)c3)C2)c(F)c1 ZINC000491075833 1037897285 /nfs/dbraw/zinc/89/72/85/1037897285.db2.gz ILNJMYOMGTZHGM-ZDUSSCGKSA-N 0 1 318.323 3.863 20 5 DHBDMN C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000593738280 1039137171 /nfs/dbraw/zinc/13/71/71/1039137171.db2.gz AJIBRDLSQSQSBY-UHFFFAOYSA-N 0 1 320.389 3.694 20 5 DHBDMN Cc1cc(Sc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000603845045 1039181623 /nfs/dbraw/zinc/18/16/23/1039181623.db2.gz AIXJTVNUGPFGAU-UHFFFAOYSA-N 0 1 312.354 3.840 20 5 DHBDMN COc1c(C)cccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594510024 1039812464 /nfs/dbraw/zinc/81/24/64/1039812464.db2.gz MXNJIXONRAJWLZ-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1cccc(C)c1 ZINC000595003411 1040015232 /nfs/dbraw/zinc/01/52/32/1040015232.db2.gz FSWJGQKUUGCJPU-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000595367414 1040127950 /nfs/dbraw/zinc/12/79/50/1040127950.db2.gz QMSRWVKFZCUFGJ-OAHLLOKOSA-N 0 1 310.369 3.515 20 5 DHBDMN Cc1noc(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)c1[N+](=O)[O-] ZINC000595558960 1040173985 /nfs/dbraw/zinc/17/39/85/1040173985.db2.gz RMDKHNONOLJFMC-QWHCGFSZSA-N 0 1 307.394 3.539 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000595701812 1040223350 /nfs/dbraw/zinc/22/33/50/1040223350.db2.gz FXONHDHRJKYXQU-QGZVFWFLSA-N 0 1 300.333 3.723 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CCF)C2)c(Cl)c1 ZINC000595755072 1040240997 /nfs/dbraw/zinc/24/09/97/1040240997.db2.gz FTUOESZJANZZHL-LLVKDONJSA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](CCF)C2)c(Cl)c1 ZINC000595755072 1040241009 /nfs/dbraw/zinc/24/10/09/1040241009.db2.gz FTUOESZJANZZHL-LLVKDONJSA-N 0 1 300.761 3.820 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCCCO3)C2)c(F)c1 ZINC000595786552 1040251800 /nfs/dbraw/zinc/25/18/00/1040251800.db2.gz BHMJGLKLXITJGW-WMLDXEAASA-N 0 1 322.380 3.515 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCCCO3)C2)c(F)c1 ZINC000595786555 1040252716 /nfs/dbraw/zinc/25/27/16/1040252716.db2.gz BHMJGLKLXITJGW-YOEHRIQHSA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(c2ccon2)CC1 ZINC000595829426 1040266592 /nfs/dbraw/zinc/26/65/92/1040266592.db2.gz UKOYWYISAXNZQE-CYBMUJFWSA-N 0 1 315.373 3.832 20 5 DHBDMN O=[N+]([O-])c1ccc(Nc2cnn(-c3ccncc3)c2)c(Cl)c1 ZINC000608909470 1040641196 /nfs/dbraw/zinc/64/11/96/1040641196.db2.gz RUFDPEJYGBFZBT-UHFFFAOYSA-N 0 1 315.720 3.573 20 5 DHBDMN Cc1cc(N2CC[C@@]3(CC3(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000593522859 1041145096 /nfs/dbraw/zinc/14/50/96/1041145096.db2.gz VEQXINKRQWDANY-OAHLLOKOSA-N 0 1 319.311 3.687 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3cccnc3)C2)c(F)c1 ZINC000602853647 1041263239 /nfs/dbraw/zinc/26/32/39/1041263239.db2.gz KBLRSIGUZVPBPN-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN Cn1cc(CNC(C)(C)c2ccc3ccccc3c2)c([N+](=O)[O-])n1 ZINC000602917609 1041314149 /nfs/dbraw/zinc/31/41/49/1041314149.db2.gz OWCCUOXVVHIPPX-UHFFFAOYSA-N 0 1 324.384 3.506 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN[C@H]1CCSc2ccccc21 ZINC000034996517 182746627 /nfs/dbraw/zinc/74/66/27/182746627.db2.gz FGDINAUNKZBULW-AWEZNQCLSA-N 0 1 300.383 3.922 20 5 DHBDMN CC(C)(C)c1ncc(CNCc2ccc([N+](=O)[O-])cc2)s1 ZINC000059181033 184135096 /nfs/dbraw/zinc/13/50/96/184135096.db2.gz YVLLXENFPPXEHY-UHFFFAOYSA-N 0 1 305.403 3.639 20 5 DHBDMN COCC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000272133419 130002491 /nfs/dbraw/zinc/00/24/91/130002491.db2.gz XFASPAFUEBHKTD-BBRMVZONSA-N 0 1 318.373 3.925 20 5 DHBDMN C[C@@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1[N+](=O)[O-] ZINC000274807442 130264178 /nfs/dbraw/zinc/26/41/78/130264178.db2.gz QEIXSVILLCPNHL-CYBMUJFWSA-N 0 1 314.385 3.673 20 5 DHBDMN CC(C)Oc1ccccc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000077220994 331673812 /nfs/dbraw/zinc/67/38/12/331673812.db2.gz QKFAQTPWAVBJHL-UHFFFAOYSA-N 0 1 300.358 3.672 20 5 DHBDMN Cc1c(Cl)cccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427924906 332564887 /nfs/dbraw/zinc/56/48/87/332564887.db2.gz LPPWDIJUAGRVMZ-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000122442831 333395645 /nfs/dbraw/zinc/39/56/45/333395645.db2.gz AXHHSUFHTWMOBJ-LBPRGKRZSA-N 0 1 315.329 3.662 20 5 DHBDMN COCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507136 334036106 /nfs/dbraw/zinc/03/61/06/334036106.db2.gz FNSGLRONQMBHCW-XJKSGUPXSA-N 0 1 318.373 3.925 20 5 DHBDMN Cc1nc([C@H](C)Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000343947751 335207122 /nfs/dbraw/zinc/20/71/22/335207122.db2.gz MNHMDRXXLCNBIX-YFKPBYRVSA-N 0 1 316.148 3.501 20 5 DHBDMN Cc1ccc(CN[C@H](c2cnn(C)c2)C(C)(C)C)cc1[N+](=O)[O-] ZINC000344793128 335277728 /nfs/dbraw/zinc/27/77/28/335277728.db2.gz VHLSTONRDVMRIR-MRXNPFEDSA-N 0 1 316.405 3.514 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000192466090 336034952 /nfs/dbraw/zinc/03/49/52/336034952.db2.gz WRYZQVQFKPTPHW-NWDGAFQWSA-N 0 1 314.341 3.735 20 5 DHBDMN CCn1ccc(CN(C)c2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000302728130 336366783 /nfs/dbraw/zinc/36/67/83/336366783.db2.gz QGPQPKCWVFMGGM-UHFFFAOYSA-N 0 1 324.384 3.909 20 5 DHBDMN CSc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000357837952 336600842 /nfs/dbraw/zinc/60/08/42/336600842.db2.gz DQPHFRLGHQLXJH-LLVKDONJSA-N 0 1 303.387 3.563 20 5 DHBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000357989007 336605162 /nfs/dbraw/zinc/60/51/62/336605162.db2.gz GFTDWNOXGXCSLD-BZNIZROVSA-N 0 1 316.405 3.747 20 5 DHBDMN CC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000362192586 336787639 /nfs/dbraw/zinc/78/76/39/336787639.db2.gz VJHLKHYCTCCRDU-OAHLLOKOSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1F ZINC000582855874 337211140 /nfs/dbraw/zinc/21/11/40/337211140.db2.gz FQYDOOAGJNMVCZ-HNNXBMFYSA-N 0 1 316.332 3.520 20 5 DHBDMN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000537024215 337870960 /nfs/dbraw/zinc/87/09/60/337870960.db2.gz BNGFWJXEVNPFFN-NSHDSACASA-N 0 1 322.311 3.603 20 5 DHBDMN Cc1nc(C(C)C)oc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000428968221 338067048 /nfs/dbraw/zinc/06/70/48/338067048.db2.gz OHDAJJJUTIHQHE-UHFFFAOYSA-N 0 1 317.389 3.689 20 5 DHBDMN CSC[C@H]1CCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000429293574 338076703 /nfs/dbraw/zinc/07/67/03/338076703.db2.gz LVCWJCSWTFKJGY-NSHDSACASA-N 0 1 314.838 3.823 20 5 DHBDMN CC(C)[N@@H+](Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000429720889 338088206 /nfs/dbraw/zinc/08/82/06/338088206.db2.gz WKDSPRVSXXPUES-UHFFFAOYSA-N 0 1 300.358 3.711 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccccc1 ZINC000430193026 338100515 /nfs/dbraw/zinc/10/05/15/338100515.db2.gz CGXRCBYESRUNBZ-ZDUSSCGKSA-N 0 1 300.358 3.796 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(C)c(F)c1 ZINC000430202294 338101166 /nfs/dbraw/zinc/10/11/66/338101166.db2.gz MJGWZVLAVRMKPZ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCSC(C)(C)CC1 ZINC000434670708 338222930 /nfs/dbraw/zinc/22/29/30/338222930.db2.gz RFNOBUYQJDRFDS-UHFFFAOYSA-N 0 1 324.446 3.711 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4C[C@H]3CS4)o2)cc1 ZINC000459746934 339045834 /nfs/dbraw/zinc/04/58/34/339045834.db2.gz GHZDTSKGZFHDGT-ZFWWWQNUSA-N 0 1 316.382 3.545 20 5 DHBDMN CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC(C)(C)C ZINC000463376242 339116073 /nfs/dbraw/zinc/11/60/73/339116073.db2.gz OXRXQMVPAUCWIC-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN CO[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1C ZINC000467386260 339236056 /nfs/dbraw/zinc/23/60/56/339236056.db2.gz UWHIITPQOGRUDO-SUMWQHHRSA-N 0 1 306.406 3.575 20 5 DHBDMN O=[N+]([O-])c1cc(CNC[C@H]2CCC3(CCCCC3)O2)cs1 ZINC000480466065 339573994 /nfs/dbraw/zinc/57/39/94/339573994.db2.gz YCNMDSGHCIVENX-CYBMUJFWSA-N 0 1 310.419 3.628 20 5 DHBDMN COc1cc(CNC2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000489989574 339823001 /nfs/dbraw/zinc/82/30/01/339823001.db2.gz ONQWBSPJHXOOOG-UHFFFAOYSA-N 0 1 316.332 3.521 20 5 DHBDMN C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000507245597 340215453 /nfs/dbraw/zinc/21/54/53/340215453.db2.gz BTXPDAROWZIVNC-RYUDHWBXSA-N 0 1 310.357 3.883 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CNc1nccn1Cc1ccccc1 ZINC000508472851 340244405 /nfs/dbraw/zinc/24/44/05/340244405.db2.gz KLNXICLAGDZMJD-UHFFFAOYSA-N 0 1 322.368 3.760 20 5 DHBDMN Cc1nccc(N(C)CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000509465526 340270477 /nfs/dbraw/zinc/27/04/77/340270477.db2.gz RCSCVPPEYPKZPV-UHFFFAOYSA-N 0 1 305.765 3.631 20 5 DHBDMN CCc1ccc([C@@H](NCC2CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000543409142 341042719 /nfs/dbraw/zinc/04/27/19/341042719.db2.gz IECNPYDAVJUIBQ-KRWDZBQOSA-N 0 1 300.358 3.839 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC(C)(C)c1cccs1 ZINC000544468438 341083480 /nfs/dbraw/zinc/08/34/80/341083480.db2.gz KGBGQJHCEAEYNC-UHFFFAOYSA-N 0 1 306.387 3.690 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccnc(Cl)c2)cc1[N+](=O)[O-] ZINC000181823580 525734735 /nfs/dbraw/zinc/73/47/35/525734735.db2.gz SPCWOFOBGAHXRB-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(F)(F)F)[C@H]1C ZINC000475271329 1017111080 /nfs/dbraw/zinc/11/10/80/1017111080.db2.gz CLUHHHASYFDDPY-MFKMUULPSA-N 0 1 302.296 3.676 20 5 DHBDMN COc1ccc(CN(C)Cc2sccc2C)cc1[N+](=O)[O-] ZINC000051233390 1015344987 /nfs/dbraw/zinc/34/49/87/1015344987.db2.gz JRANZRONDGTVRZ-UHFFFAOYSA-N 0 1 306.387 3.605 20 5 DHBDMN CCOc1cccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000126107383 1015464421 /nfs/dbraw/zinc/46/44/21/1015464421.db2.gz AFFRSICHWBWSKL-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1ccccc1[C@@H](CC(C)C)NCc1c([N+](=O)[O-])ncn1C ZINC000341701841 1015682756 /nfs/dbraw/zinc/68/27/56/1015682756.db2.gz JSXQSLKNYLEGKN-OAHLLOKOSA-N 0 1 316.405 3.514 20 5 DHBDMN CC[C@H](C)c1nc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000277233167 1016088182 /nfs/dbraw/zinc/08/81/82/1016088182.db2.gz MLZNUSQAWUIMEZ-QJPTWQEYSA-N 0 1 317.393 3.638 20 5 DHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277382113 1016259256 /nfs/dbraw/zinc/25/92/56/1016259256.db2.gz ISHISURICVQFQN-BDAKNGLRSA-N 0 1 307.329 3.539 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)Nc2ccc(F)cc2[N+](=O)[O-])n[nH]1 ZINC000277382118 1016259958 /nfs/dbraw/zinc/25/99/58/1016259958.db2.gz ISHISURICVQFQN-IUCAKERBSA-N 0 1 307.329 3.539 20 5 DHBDMN Cc1nc(C)c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000119846160 1016377857 /nfs/dbraw/zinc/37/78/57/1016377857.db2.gz GROVKVBQIGXWPI-JTQLQIEISA-N 0 1 305.403 3.827 20 5 DHBDMN COc1ccc(CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000072555485 1016556030 /nfs/dbraw/zinc/55/60/30/1016556030.db2.gz SMWPJVPAWCDUHX-CYBMUJFWSA-N 0 1 300.358 3.796 20 5 DHBDMN C[C@@H]1CCCN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000748084829 1012688243 /nfs/dbraw/zinc/68/82/43/1012688243.db2.gz VOPQAJBQZCMQFK-LLVKDONJSA-N 0 1 321.402 3.951 20 5 DHBDMN Cc1nc(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cs1 ZINC000154396543 1012702150 /nfs/dbraw/zinc/70/21/50/1012702150.db2.gz ZTGNUZQVZISDPN-UHFFFAOYSA-N 0 1 317.414 3.567 20 5 DHBDMN Cc1ccc(CN2CC[C@@H](C(F)(F)F)[C@H]2C)cc1[N+](=O)[O-] ZINC000475287031 1017118493 /nfs/dbraw/zinc/11/84/93/1017118493.db2.gz MMVJRIWNPFXZTI-ZYHUDNBSSA-N 0 1 302.296 3.676 20 5 DHBDMN Cc1cc(NCc2ccc(Cl)o2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611918436 1017562679 /nfs/dbraw/zinc/56/26/79/1017562679.db2.gz MNYCYEMCGHEKDD-UHFFFAOYSA-N 0 1 317.732 3.732 20 5 DHBDMN CC(C)C[C@@H]1CCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444665337 1017619150 /nfs/dbraw/zinc/61/91/50/1017619150.db2.gz UBEAGSRWLFGDBC-ZDUSSCGKSA-N 0 1 316.405 3.872 20 5 DHBDMN CCC[C@H](NCc1ccnc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000171140777 1017872110 /nfs/dbraw/zinc/87/21/10/1017872110.db2.gz XAKGYJOSTYJPMI-INIZCTEOSA-N 0 1 315.373 3.629 20 5 DHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)cc1 ZINC000172619762 1018071925 /nfs/dbraw/zinc/07/19/25/1018071925.db2.gz RCZBXSUBYLJHKS-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)s1 ZINC000446147372 1018071891 /nfs/dbraw/zinc/07/18/91/1018071891.db2.gz UKCOGTWNMGSEKE-UHFFFAOYSA-N 0 1 314.248 3.613 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)s1 ZINC000446147372 1018071904 /nfs/dbraw/zinc/07/19/04/1018071904.db2.gz UKCOGTWNMGSEKE-UHFFFAOYSA-N 0 1 314.248 3.613 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CCO)c1cccs1 ZINC000766136659 1018478348 /nfs/dbraw/zinc/47/83/48/1018478348.db2.gz QGQABDKFDZCXOH-DOMZBBRYSA-N 0 1 320.414 3.739 20 5 DHBDMN C[C@@H]1CC[C@H](C(F)(F)F)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000611555205 1019518602 /nfs/dbraw/zinc/51/86/02/1019518602.db2.gz RHLRQKLAKOXVGL-PWSUYJOCSA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1cc(N2CC[C@@H](C)[C@H](F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611931011 1019881501 /nfs/dbraw/zinc/88/15/01/1019881501.db2.gz FPWNLYBBWMBJBS-QMTHXVAHSA-N 0 1 303.337 3.636 20 5 DHBDMN CCC[C@H](NCc1cc(CC)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000765994102 1020191828 /nfs/dbraw/zinc/19/18/28/1020191828.db2.gz PFCDSDWPKPLODL-INIZCTEOSA-N 0 1 302.378 3.511 20 5 DHBDMN CCC[C@H](NCc1cc(CC)[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000765994102 1020191834 /nfs/dbraw/zinc/19/18/34/1020191834.db2.gz PFCDSDWPKPLODL-INIZCTEOSA-N 0 1 302.378 3.511 20 5 DHBDMN O=C(Nc1cc(-c2ccccc2)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128525365 1020439087 /nfs/dbraw/zinc/43/90/87/1020439087.db2.gz IERRBHQVCNDLMA-IUODEOHRSA-N 0 1 316.744 3.611 20 5 DHBDMN COc1ccc(C)cc1[C@@H](C)NCc1ccc([N+](=O)[O-])c(F)c1 ZINC000282640830 1020477880 /nfs/dbraw/zinc/47/78/80/1020477880.db2.gz BPFBMBDRSUULPV-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CCS[C@@H]1CCCCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000303498787 1020494162 /nfs/dbraw/zinc/49/41/62/1020494162.db2.gz XXIOMAARIXKLIY-OAHLLOKOSA-N 0 1 324.446 3.711 20 5 DHBDMN COc1ccc([C@H](C)N(C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000030002426 1020558954 /nfs/dbraw/zinc/55/89/54/1020558954.db2.gz LKJMAFVZPPVONS-ZDUSSCGKSA-N 0 1 300.358 3.796 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@H]3CCC[C@@H]3C2)c1 ZINC000579960098 1020795037 /nfs/dbraw/zinc/79/50/37/1020795037.db2.gz TYPGNGDWTOHCLQ-GHMZBOCLSA-N 0 1 314.307 3.846 20 5 DHBDMN C[C@H](c1c(F)cccc1F)N(C)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338926819 1021372257 /nfs/dbraw/zinc/37/22/57/1021372257.db2.gz WRZLHBIZKROUPP-SNVBAGLBSA-N 0 1 322.311 3.772 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1C[C@H](O)c2ccccc21 ZINC000850530287 1021584864 /nfs/dbraw/zinc/58/48/64/1021584864.db2.gz YJGBPBFDIPFKEM-RZAIGCCYSA-N 0 1 312.369 3.732 20 5 DHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1c(C)noc1C ZINC000182456213 1021663449 /nfs/dbraw/zinc/66/34/49/1021663449.db2.gz ATFUEDPQMZGLPX-CQSZACIVSA-N 0 1 303.362 3.749 20 5 DHBDMN CC[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000194810984 1021710386 /nfs/dbraw/zinc/71/03/86/1021710386.db2.gz NDFHJEQOEVSMOA-MRXNPFEDSA-N 0 1 300.358 3.844 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCOC2(CCCCC2)C1 ZINC000556888144 1021932403 /nfs/dbraw/zinc/93/24/03/1021932403.db2.gz ZFLDWKXTUWJXSE-VURMDHGXSA-N 0 1 316.401 3.643 20 5 DHBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000195417419 1022181120 /nfs/dbraw/zinc/18/11/20/1022181120.db2.gz RERLJDXSYZWRSA-INIZCTEOSA-N 0 1 300.358 3.844 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(C[C@@H]2CC[C@H](C3CC3)O2)C2CC2)c1 ZINC001167735355 1022229138 /nfs/dbraw/zinc/22/91/38/1022229138.db2.gz ZUEZOMHFZJCUDS-ZWKOTPCHSA-N 0 1 316.401 3.517 20 5 DHBDMN O=C(Nc1c(F)cc(Cl)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000180364746 1022711612 /nfs/dbraw/zinc/71/16/12/1022711612.db2.gz LKPQUOCOZMFEPP-UHFFFAOYSA-N 0 1 318.688 3.840 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@@H]1c1ccccn1 ZINC000876585262 1033098629 /nfs/dbraw/zinc/09/86/29/1033098629.db2.gz GHGWUIQCMITAGX-GOSISDBHSA-N 0 1 311.385 3.944 20 5 DHBDMN CC[C@H]1CCCN1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000769009410 1023079076 /nfs/dbraw/zinc/07/90/76/1023079076.db2.gz QWZWTVNFSCOQAN-JTQLQIEISA-N 0 1 313.195 3.732 20 5 DHBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000772109454 1023514609 /nfs/dbraw/zinc/51/46/09/1023514609.db2.gz FSTKSRWBUPISKH-UHFFFAOYSA-N 0 1 320.732 3.621 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000045287728 1023566075 /nfs/dbraw/zinc/56/60/75/1023566075.db2.gz KDYAXCNWVJJYDW-HNNXBMFYSA-N 0 1 319.336 3.576 20 5 DHBDMN CCSc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000883236460 1024309386 /nfs/dbraw/zinc/30/93/86/1024309386.db2.gz BMZVSLZZFYZVGS-UHFFFAOYSA-N 0 1 302.399 3.997 20 5 DHBDMN Cc1cnc(CCN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000270119057 1024353151 /nfs/dbraw/zinc/35/31/51/1024353151.db2.gz NKYOXRWVKBCNBA-LBPRGKRZSA-N 0 1 305.403 3.595 20 5 DHBDMN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1nccs1 ZINC000271168756 1024462958 /nfs/dbraw/zinc/46/29/58/1024462958.db2.gz TXKPAJOIJLSJMH-LLVKDONJSA-N 0 1 323.443 3.712 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000106478125 1024536975 /nfs/dbraw/zinc/53/69/75/1024536975.db2.gz JLJSSAQEBYTFLK-MRXNPFEDSA-N 0 1 300.333 3.819 20 5 DHBDMN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CC1(C)C ZINC000339134325 1024572863 /nfs/dbraw/zinc/57/28/63/1024572863.db2.gz VGBUFKZRVYFGNG-GFCCVEGCSA-N 0 1 302.296 3.844 20 5 DHBDMN Cc1ccccc1[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532247809 1024584954 /nfs/dbraw/zinc/58/49/54/1024584954.db2.gz FRERGSUUPCEULG-KDOFPFPSSA-N 0 1 314.385 3.596 20 5 DHBDMN CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)c1cc(C)ccc1OC ZINC000772806972 1024720159 /nfs/dbraw/zinc/72/01/59/1024720159.db2.gz NVIFSLWJDSZCGJ-ZDUSSCGKSA-N 0 1 318.329 3.548 20 5 DHBDMN CCC[C@H](CC)Oc1nc(C(F)(F)F)cc(O)c1[N+](=O)[O-] ZINC001228862418 1024768042 /nfs/dbraw/zinc/76/80/42/1024768042.db2.gz NJVZHSHLRDGUMX-ZETCQYMHSA-N 0 1 308.256 3.672 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CNCc1ccc2ccccc2n1 ZINC000349904317 1024768138 /nfs/dbraw/zinc/76/81/38/1024768138.db2.gz JIVJTEZCOLYEPP-UHFFFAOYSA-N 0 1 307.353 3.741 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000793340565 1024984771 /nfs/dbraw/zinc/98/47/71/1024984771.db2.gz QRCMBJJVDYNCFT-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN CCc1nc(CNC[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000897468844 1025385110 /nfs/dbraw/zinc/38/51/10/1025385110.db2.gz ADFLAZKXACXDIP-LLVKDONJSA-N 0 1 305.403 3.507 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccccc2OCC(F)F)cc1 ZINC000885926699 1025407987 /nfs/dbraw/zinc/40/79/87/1025407987.db2.gz GNZIEWCRCCNPDZ-UHFFFAOYSA-N 0 1 322.311 3.529 20 5 DHBDMN C[C@@H](N[C@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134844 1025779015 /nfs/dbraw/zinc/77/90/15/1025779015.db2.gz OOOPIIGJVBYLMO-YGRLFVJLSA-N 0 1 317.776 3.981 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H]1CCc2c1cccc2F ZINC000886928907 1025983723 /nfs/dbraw/zinc/98/37/23/1025983723.db2.gz XEVQJBHQHNAUGG-OAHLLOKOSA-N 0 1 304.296 3.650 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000289640458 1026110500 /nfs/dbraw/zinc/11/05/00/1026110500.db2.gz FOLGJPBOHMPOJX-WQVCFCJDSA-N 0 1 304.390 3.545 20 5 DHBDMN C[C@@H](OC(=O)c1ccc(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000729238001 1026399044 /nfs/dbraw/zinc/39/90/44/1026399044.db2.gz QDZCPIUZFDZEQO-SECBINFHSA-N 0 1 321.716 3.872 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC=CO1 ZINC000811493059 1027011646 /nfs/dbraw/zinc/01/16/46/1027011646.db2.gz FXIQZYYEDKLRMU-NSHDSACASA-N 0 1 317.172 3.684 20 5 DHBDMN O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000571997568 1027164097 /nfs/dbraw/zinc/16/40/97/1027164097.db2.gz UCEPVIXBMAEPDA-IUODEOHRSA-N 0 1 324.808 3.639 20 5 DHBDMN CCN(Cc1csc([N+](=O)[O-])c1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852389 1027449168 /nfs/dbraw/zinc/44/91/68/1027449168.db2.gz FKFVOROCVMYRJH-LRDDRELGSA-N 0 1 320.414 3.600 20 5 DHBDMN Cc1cc(NCc2ccc3nc[nH]c3c2)c(F)cc1[N+](=O)[O-] ZINC000600849990 1027866434 /nfs/dbraw/zinc/86/64/34/1027866434.db2.gz FTDSMNPPRTZURD-UHFFFAOYSA-N 0 1 300.293 3.531 20 5 DHBDMN CC(C)(NCc1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000601110071 1027987647 /nfs/dbraw/zinc/98/76/47/1027987647.db2.gz YQBFTYFCUMLQIU-UHFFFAOYSA-N 0 1 321.327 3.952 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3C[C@H]4CCCC[C@H]43)co2)cc1 ZINC000368088382 1028294853 /nfs/dbraw/zinc/29/48/53/1028294853.db2.gz FEDFRZBKUQSHRU-CZUORRHYSA-N 0 1 313.357 3.624 20 5 DHBDMN Cc1nc([C@H](C)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449119675 1028376131 /nfs/dbraw/zinc/37/61/31/1028376131.db2.gz AMFRPCXSCUDDCV-QWRGUYRKSA-N 0 1 305.403 3.642 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)cc1C ZINC000815575806 1028552078 /nfs/dbraw/zinc/55/20/78/1028552078.db2.gz AZIHKMXVUYYFKQ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CCC[C@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccccn1 ZINC000815575769 1028552439 /nfs/dbraw/zinc/55/24/39/1028552439.db2.gz ZQXVCQWOMJMRCL-WBMJQRKESA-N 0 1 314.389 3.764 20 5 DHBDMN Cc1csc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449494677 1028697496 /nfs/dbraw/zinc/69/74/96/1028697496.db2.gz BFDRAVNJNYZMQQ-AWEZNQCLSA-N 0 1 317.414 3.739 20 5 DHBDMN CCn1ccnc1[C@H](C)NC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449563761 1028805801 /nfs/dbraw/zinc/80/58/01/1028805801.db2.gz YGPFWIRFEDIBSE-ZVHGMHCTSA-N 0 1 314.389 3.565 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](c2ccccn2)C1 ZINC000821331860 1029827016 /nfs/dbraw/zinc/82/70/16/1029827016.db2.gz GJVYOSTYFOPGOP-CYBMUJFWSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc(/C=C/Sc2nc(-c3ccccc3)n[nH]2)o1 ZINC000821690874 1029866722 /nfs/dbraw/zinc/86/67/22/1029866722.db2.gz XAQOWJXVDKSYRI-CMDGGOBGSA-N 0 1 314.326 3.736 20 5 DHBDMN Cc1ccc(CNCc2ccc(C(F)F)nc2)cc1[N+](=O)[O-] ZINC000865787548 1030025093 /nfs/dbraw/zinc/02/50/93/1030025093.db2.gz PVABHCBLYAKVPR-UHFFFAOYSA-N 0 1 307.300 3.526 20 5 DHBDMN CC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796325 1030190939 /nfs/dbraw/zinc/19/09/39/1030190939.db2.gz BKOKBMXOFCDLEG-IUODEOHRSA-N 0 1 315.373 3.800 20 5 DHBDMN CSc1ccccc1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000358070678 1030309617 /nfs/dbraw/zinc/30/96/17/1030309617.db2.gz VYIUFVUPMQQWBU-UHFFFAOYSA-N 0 1 302.399 3.949 20 5 DHBDMN CCC[C@@H](NCc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000866474740 1030313865 /nfs/dbraw/zinc/31/38/65/1030313865.db2.gz RXBHNHQAGSOBTC-OAHLLOKOSA-N 0 1 303.337 3.760 20 5 DHBDMN CC[C@H](N[C@@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158184 1030350075 /nfs/dbraw/zinc/35/00/75/1030350075.db2.gz PGPMSBWEQISJEB-IRXDYDNUSA-N 0 1 318.348 3.508 20 5 DHBDMN CC[C@H](NCc1ccc(OC)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000358265872 1030413154 /nfs/dbraw/zinc/41/31/54/1030413154.db2.gz LHZGPDKNYFXTJO-KRWDZBQOSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1c(CN[C@@H](C)c2ccnn2C2CCC2)cccc1[N+](=O)[O-] ZINC000926267805 1030678781 /nfs/dbraw/zinc/67/87/81/1030678781.db2.gz ABDGBACXBOFKJE-ZDUSSCGKSA-N 0 1 314.389 3.676 20 5 DHBDMN CC[C@H](C)c1nc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cc2F)n[nH]1 ZINC000360056615 1031259375 /nfs/dbraw/zinc/25/93/75/1031259375.db2.gz XSRIGAQKRLEAFL-WPRPVWTQSA-N 0 1 321.356 3.847 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cncc(C)c1 ZINC000872052504 1031440566 /nfs/dbraw/zinc/44/05/66/1031440566.db2.gz SOKRNDKLLFNUNZ-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN C[C@@H](N[C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000872073854 1031470151 /nfs/dbraw/zinc/47/01/51/1031470151.db2.gz WBUSXUHJYXSLCN-XWCIJXRUSA-N 0 1 318.348 3.507 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@]2(CC2(F)F)C1 ZINC000846109764 1031861506 /nfs/dbraw/zinc/86/15/06/1031861506.db2.gz VNDUYDDLZYKSEL-BYPUDFOVSA-N 0 1 308.328 3.729 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4[C@@H](C3)C4(F)F)o2)cc1 ZINC000846113403 1031862433 /nfs/dbraw/zinc/86/24/33/1031862433.db2.gz XUERNIRIJDAIPR-OKILXGFUSA-N 0 1 320.295 3.552 20 5 DHBDMN CC1(C)CCN(Cn2cc(-c3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000777956813 1032043505 /nfs/dbraw/zinc/04/35/05/1032043505.db2.gz QBDBRXIPOIZIRD-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN CCOc1ccc([C@@H](C)N[C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618292 1033530975 /nfs/dbraw/zinc/53/09/75/1033530975.db2.gz LVWDRNFLDJFOAD-CHWSQXEVSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1cc([C@@H]2CCCN2[C@H](C)Cc2ccc([N+](=O)[O-])cc2)no1 ZINC001173229213 1033605103 /nfs/dbraw/zinc/60/51/03/1033605103.db2.gz RPZJNGSXEIUDDN-PXAZEXFGSA-N 0 1 315.373 3.659 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879667227 1034080534 /nfs/dbraw/zinc/08/05/34/1034080534.db2.gz BSNLBSBTELKKPH-VXGBXAGGSA-N 0 1 318.270 3.721 20 5 DHBDMN CC(C)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000179158032 1034288657 /nfs/dbraw/zinc/28/86/57/1034288657.db2.gz DQOQXZOEWWFFSI-UHFFFAOYSA-N 0 1 301.346 3.623 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000555537367 1034782436 /nfs/dbraw/zinc/78/24/36/1034782436.db2.gz ONZNEDKEOJTQQV-OAHLLOKOSA-N 0 1 312.369 3.680 20 5 DHBDMN O=C([O-])c1cc(Nc2ccc3c[nH+]ccc3c2)cc([N+](=O)[O-])c1 ZINC001176677354 1035311530 /nfs/dbraw/zinc/31/15/30/1035311530.db2.gz UKDWTMIZEAPFSZ-UHFFFAOYSA-N 0 1 309.281 3.585 20 5 DHBDMN CSCCCN(C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001181154677 1035852611 /nfs/dbraw/zinc/85/26/11/1035852611.db2.gz SSAMGHHIEQMOMX-UHFFFAOYSA-N 0 1 322.352 3.799 20 5 DHBDMN COc1ccc2c(c1)[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851047 1036577279 /nfs/dbraw/zinc/57/72/79/1036577279.db2.gz XPFAYEAYTLYHQH-SJCJKPOMSA-N 0 1 312.369 3.942 20 5 DHBDMN Cc1c(CN[C@@H](C)c2cc3cnccc3o2)cccc1[N+](=O)[O-] ZINC001197231034 1036715177 /nfs/dbraw/zinc/71/51/77/1036715177.db2.gz TUXOTMWHGPNCEU-LBPRGKRZSA-N 0 1 311.341 3.895 20 5 DHBDMN COc1cc(CN(C)Cc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000487964500 1036883378 /nfs/dbraw/zinc/88/33/78/1036883378.db2.gz UCZHOEWCYGJOHN-UHFFFAOYSA-N 0 1 318.348 3.683 20 5 DHBDMN O=[N+]([O-])c1cccc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001198705824 1037114841 /nfs/dbraw/zinc/11/48/41/1037114841.db2.gz MLLQPZIWELQRRT-GOSISDBHSA-N 0 1 312.369 3.558 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCO[C@@H](c3ccccc3)CC2)c1 ZINC001198705824 1037114850 /nfs/dbraw/zinc/11/48/50/1037114850.db2.gz MLLQPZIWELQRRT-GOSISDBHSA-N 0 1 312.369 3.558 20 5 DHBDMN Cc1noc(CSc2nc3ccc(Cl)cc3[nH]2)c1[N+](=O)[O-] ZINC001187981071 1037768450 /nfs/dbraw/zinc/76/84/50/1037768450.db2.gz OKWQBUYLGYFUOM-UHFFFAOYSA-N 0 1 324.749 3.713 20 5 DHBDMN CC(C)CCOCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000490798911 1037815017 /nfs/dbraw/zinc/81/50/17/1037815017.db2.gz CRDSLRPPSNZUDJ-UHFFFAOYSA-N 0 1 306.406 3.622 20 5 DHBDMN CCCCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000916854994 1037999010 /nfs/dbraw/zinc/99/90/10/1037999010.db2.gz LNZVTIMBYOUVBW-UHFFFAOYSA-N 0 1 318.329 3.711 20 5 DHBDMN CCC[C@@H](CNCc1ccc([N+](=O)[O-])cc1Cl)OCC ZINC000598989517 1038965213 /nfs/dbraw/zinc/96/52/13/1038965213.db2.gz KKVBAKQDCNTSLG-ZDUSSCGKSA-N 0 1 300.786 3.543 20 5 DHBDMN Cc1ncccc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000599072736 1039029814 /nfs/dbraw/zinc/02/98/14/1039029814.db2.gz GTSNONISHAXWAV-KRWDZBQOSA-N 0 1 311.385 3.810 20 5 DHBDMN CCCCC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C(C)C ZINC000593733152 1039125169 /nfs/dbraw/zinc/12/51/69/1039125169.db2.gz YUBNKJJLGGDGMR-UHFFFAOYSA-N 0 1 308.378 3.694 20 5 DHBDMN CCC(CC)C[N@@H+](CC)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734768 1039139619 /nfs/dbraw/zinc/13/96/19/1039139619.db2.gz MYJCFHPYJGHSRX-UHFFFAOYSA-N 0 1 308.378 3.551 20 5 DHBDMN COc1ccccc1C1(NC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000592374264 1039167858 /nfs/dbraw/zinc/16/78/58/1039167858.db2.gz IYUFMOTWKMYJJT-VURMDHGXSA-N 0 1 324.380 3.896 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](OC2CCC2)C1 ZINC000594026276 1039951089 /nfs/dbraw/zinc/95/10/89/1039951089.db2.gz HYUUKDDALPPGGR-SUMWQHHRSA-N 0 1 304.390 3.689 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCc3ccc(O)cc31)CCC2 ZINC000595089272 1040075221 /nfs/dbraw/zinc/07/52/21/1040075221.db2.gz NBUPKCFQPFXZCD-RBUKOAKNSA-N 0 1 324.380 3.955 20 5 DHBDMN Cc1c([C@H](C)N[C@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092814 1040079004 /nfs/dbraw/zinc/07/90/04/1040079004.db2.gz XDSFYBVKFBRZTK-SJCJKPOMSA-N 0 1 312.369 3.947 20 5 DHBDMN CC[C@H](Cc1ccc(C)cc1)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595328612 1040100661 /nfs/dbraw/zinc/10/06/61/1040100661.db2.gz WOZAEHJDJIQOOQ-OAHLLOKOSA-N 0 1 317.389 3.653 20 5 DHBDMN Cc1noc(CN2CC[C@@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595324889 1040108478 /nfs/dbraw/zinc/10/84/78/1040108478.db2.gz CRBJREOPFBZFGH-IUODEOHRSA-N 0 1 315.373 3.517 20 5 DHBDMN Cc1noc(CN2CCC[C@@H]2c2c(C)cccc2C)c1[N+](=O)[O-] ZINC000595599782 1040201563 /nfs/dbraw/zinc/20/15/63/1040201563.db2.gz CHIRROPTUMJAMB-CQSZACIVSA-N 0 1 315.373 3.845 20 5 DHBDMN CCC(C)(C)[C@@H](C)NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000595641243 1040211601 /nfs/dbraw/zinc/21/16/01/1040211601.db2.gz GEZBDYDGXLIWDH-LLVKDONJSA-N 0 1 318.377 3.559 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCF)C1 ZINC000595755966 1040242845 /nfs/dbraw/zinc/24/28/45/1040242845.db2.gz RZCMHGLVTAPENO-CYBMUJFWSA-N 0 1 310.369 3.565 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC2(CCCC2=O)CC1 ZINC000595820309 1040248337 /nfs/dbraw/zinc/24/83/37/1040248337.db2.gz VBDIUVDOWRMAFV-AWEZNQCLSA-N 0 1 316.401 3.799 20 5 DHBDMN COc1cccc(C2(NCc3ccccc3[N+](=O)[O-])CCC2)c1 ZINC000595857724 1040262164 /nfs/dbraw/zinc/26/21/64/1040262164.db2.gz RIBFLOGUGXZSOX-UHFFFAOYSA-N 0 1 312.369 3.772 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(c2ccon2)CC1 ZINC000595833772 1040270719 /nfs/dbraw/zinc/27/07/19/1040270719.db2.gz MLAPJQSLUODOCZ-GFCCVEGCSA-N 0 1 301.346 3.523 20 5 DHBDMN CCSCC[C@@H](C)N(C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174032422 1040501377 /nfs/dbraw/zinc/50/13/77/1040501377.db2.gz IOPHLDBOQBQRMF-LLVKDONJSA-N 0 1 300.399 3.697 20 5 DHBDMN Cc1ccc([C@H](CNc2ccsc2[N+](=O)[O-])N2CCCC2)o1 ZINC000608779152 1040612225 /nfs/dbraw/zinc/61/22/25/1040612225.db2.gz ZDTCWDZPENFMKA-ZDUSSCGKSA-N 0 1 321.402 3.807 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC[C@@](F)(c3ccccc3)C2)cc1 ZINC000563861023 335068311 /nfs/dbraw/zinc/06/83/11/335068311.db2.gz BQVZNQQWVDOXOO-SFHVURJKSA-N 0 1 314.360 3.708 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000079723996 331683015 /nfs/dbraw/zinc/68/30/15/331683015.db2.gz LBVJMYWINLFQPS-NEPJUHHUSA-N 0 1 315.329 3.915 20 5 DHBDMN C[C@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cncc(F)c1 ZINC000414153295 333904099 /nfs/dbraw/zinc/90/40/99/333904099.db2.gz ZCHUSLNYMGWJSG-GTNSWQLSSA-N 0 1 315.348 3.857 20 5 DHBDMN CCOc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414281555 333932888 /nfs/dbraw/zinc/93/28/88/333932888.db2.gz GETQRBBCARILOO-MRVWCRGKSA-N 0 1 310.369 3.925 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000430208218 333973625 /nfs/dbraw/zinc/97/36/25/333973625.db2.gz AUYUWARSLYYMQG-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CC(C)C[C@@H](N)c1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414612634 334041044 /nfs/dbraw/zinc/04/10/44/334041044.db2.gz DTDVQUGTKQMTGN-CYBMUJFWSA-N 0 1 318.377 3.814 20 5 DHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccs1 ZINC000049530722 334345680 /nfs/dbraw/zinc/34/56/80/334345680.db2.gz VVCJMMVKCMRDTB-CYBMUJFWSA-N 0 1 306.387 3.906 20 5 DHBDMN CCC[C@@H](NCc1ccccc1CO)c1cccc([N+](=O)[O-])c1 ZINC000305160427 334378158 /nfs/dbraw/zinc/37/81/58/334378158.db2.gz WVTMDBRXHFTCAB-GOSISDBHSA-N 0 1 314.385 3.718 20 5 DHBDMN CC[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000341883041 334489400 /nfs/dbraw/zinc/48/94/00/334489400.db2.gz UEUSKWJDUKNGRF-ABAIWWIYSA-N 0 1 316.405 3.747 20 5 DHBDMN Cc1c([C@H](C)N[C@H]2COCc3ccccc32)cccc1[N+](=O)[O-] ZINC000417357172 334707560 /nfs/dbraw/zinc/70/75/60/334707560.db2.gz GGZLBHCEILXJSE-GUYCJALGSA-N 0 1 312.369 3.825 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1nc(C)cs1 ZINC000344853147 335279962 /nfs/dbraw/zinc/27/99/62/335279962.db2.gz CGKRBLXTZANMEV-WDZFZDKYSA-N 0 1 303.387 3.553 20 5 DHBDMN Cc1ncsc1CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000331970598 336154720 /nfs/dbraw/zinc/15/47/20/336154720.db2.gz RBHBBUGVSRSBQG-AWEZNQCLSA-N 0 1 303.387 3.527 20 5 DHBDMN CCSCC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609240 336226755 /nfs/dbraw/zinc/22/67/55/336226755.db2.gz SALKKCBUKOQYLW-NSHDSACASA-N 0 1 300.399 3.697 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNCc1ccc2occc2c1 ZINC000352736364 336233139 /nfs/dbraw/zinc/23/31/39/336233139.db2.gz LSEQKDPQFGJVDF-UHFFFAOYSA-N 0 1 312.325 3.639 20 5 DHBDMN C[C@H](CNc1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1 ZINC000301088904 336289420 /nfs/dbraw/zinc/28/94/20/336289420.db2.gz LUFSOFQKKIGCFO-GFCCVEGCSA-N 0 1 317.414 3.515 20 5 DHBDMN CN(C)Cc1cc(CNc2ccc([N+](=O)[O-])cc2F)ccc1F ZINC000301262655 336297431 /nfs/dbraw/zinc/29/74/31/336297431.db2.gz FSTVTZNLKWSULG-UHFFFAOYSA-N 0 1 321.327 3.547 20 5 DHBDMN O=[N+]([O-])c1ccsc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301978221 336341056 /nfs/dbraw/zinc/34/10/56/336341056.db2.gz DYHJPVJOJXWFHZ-AWEZNQCLSA-N 0 1 317.414 3.733 20 5 DHBDMN Cc1cc2[nH]ncc2cc1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000302662566 336363914 /nfs/dbraw/zinc/36/39/14/336363914.db2.gz FKCWOAXRSKZYLQ-UHFFFAOYSA-N 0 1 303.709 3.572 20 5 DHBDMN Cc1ccncc1C1=CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375004460 337001391 /nfs/dbraw/zinc/00/13/91/337001391.db2.gz KEEBHUUHHJOQRU-UHFFFAOYSA-N 0 1 309.369 3.588 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCOc2c(C)cccc21 ZINC000188946030 337276744 /nfs/dbraw/zinc/27/67/44/337276744.db2.gz YCHNBTCJWFVTNS-KRWDZBQOSA-N 0 1 312.369 3.825 20 5 DHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000284165923 337573400 /nfs/dbraw/zinc/57/34/00/337573400.db2.gz QJKBKEMGOFOHAB-OAHLLOKOSA-N 0 1 315.329 3.744 20 5 DHBDMN Cc1nc(C(C)C)oc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000428936455 338065444 /nfs/dbraw/zinc/06/54/44/338065444.db2.gz AWOWMJLAWPIEMY-UHFFFAOYSA-N 0 1 317.389 3.689 20 5 DHBDMN COc1cc(CNC(C)(C)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000429265820 338075244 /nfs/dbraw/zinc/07/52/44/338075244.db2.gz RHGMFHRWYYMFEY-UHFFFAOYSA-N 0 1 318.348 3.767 20 5 DHBDMN CC(C)CCO[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000434978173 338228244 /nfs/dbraw/zinc/22/82/44/338228244.db2.gz UOLUVMHIIIDNEH-HUUCEWRRSA-N 0 1 306.406 3.793 20 5 DHBDMN COc1ccc(C)cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449351164 338616424 /nfs/dbraw/zinc/61/64/24/338616424.db2.gz YUORNCHELKUCNO-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000471049526 339335788 /nfs/dbraw/zinc/33/57/88/339335788.db2.gz ZMAYKIHXMHJEGL-KSSFIOAISA-N 0 1 312.369 3.667 20 5 DHBDMN O=[N+]([O-])c1cc(CNCc2ccsc2)cc(C(F)(F)F)c1 ZINC000487196075 339745927 /nfs/dbraw/zinc/74/59/27/339745927.db2.gz QPBLYAAHNUIVMG-UHFFFAOYSA-N 0 1 316.304 3.965 20 5 DHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cscn1 ZINC000504893152 340154859 /nfs/dbraw/zinc/15/48/59/340154859.db2.gz CJGUJZMEINHYJS-NSHDSACASA-N 0 1 323.443 3.712 20 5 DHBDMN CCN(CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505783251 340177804 /nfs/dbraw/zinc/17/78/04/340177804.db2.gz LRSMXYLTEWSSJX-UHFFFAOYSA-N 0 1 302.349 3.799 20 5 DHBDMN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000507132324 340208712 /nfs/dbraw/zinc/20/87/12/340208712.db2.gz QSGPJCQALWOIHA-QGZVFWFLSA-N 0 1 312.369 3.946 20 5 DHBDMN COc1cccc([C@@H](C)[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511107685 340320924 /nfs/dbraw/zinc/32/09/24/340320924.db2.gz LLYIQAXBUUNILY-CQSZACIVSA-N 0 1 314.385 3.839 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000513105693 340393420 /nfs/dbraw/zinc/39/34/20/340393420.db2.gz AFOKYLYNCJDRDE-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384578 341020481 /nfs/dbraw/zinc/02/04/81/341020481.db2.gz BNSUQRPYQORUMC-WBMJQRKESA-N 0 1 312.369 3.947 20 5 DHBDMN COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000075897092 341188418 /nfs/dbraw/zinc/18/84/18/341188418.db2.gz XXMXJFQNMCQKDC-AWEZNQCLSA-N 0 1 314.385 3.666 20 5 DHBDMN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCc2ccccc21 ZINC000549343004 341291691 /nfs/dbraw/zinc/29/16/91/341291691.db2.gz QWBJNQKWGRDTDP-GOSISDBHSA-N 0 1 312.369 3.810 20 5 DHBDMN Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000549613503 341299097 /nfs/dbraw/zinc/29/90/97/341299097.db2.gz KOJVHUBWHHWEKQ-AWEZNQCLSA-N 0 1 314.385 3.672 20 5 DHBDMN CC[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000549865826 341305452 /nfs/dbraw/zinc/30/54/52/341305452.db2.gz GWYAKZRVTKSOSB-JTQLQIEISA-N 0 1 302.296 3.846 20 5 DHBDMN COc1cc(F)cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090972146 341420940 /nfs/dbraw/zinc/42/09/40/341420940.db2.gz PFRPTOGNGRSNIF-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN CC(C)=CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191631511 519438661 /nfs/dbraw/zinc/43/86/61/519438661.db2.gz QLAQOJQWVVNSSI-UHFFFAOYSA-N 0 1 303.387 3.774 20 5 DHBDMN CC(C)Cn1cc(Nc2ncc([N+](=O)[O-])s2)c(C(F)F)n1 ZINC000337015542 519516025 /nfs/dbraw/zinc/51/60/25/519516025.db2.gz LBKOQHZCMOKUCJ-UHFFFAOYSA-N 0 1 317.321 3.585 20 5 DHBDMN CCCO[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000108392736 520273163 /nfs/dbraw/zinc/27/31/63/520273163.db2.gz WSAXBULWCCNWRB-CYBMUJFWSA-N 0 1 310.369 3.515 20 5 DHBDMN CCOc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000266423507 521006734 /nfs/dbraw/zinc/00/67/34/521006734.db2.gz BDWVJCAIEYGZII-LBPRGKRZSA-N 0 1 318.348 3.983 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H]1c1cnn(C)c1 ZINC000245536635 526088823 /nfs/dbraw/zinc/08/88/23/526088823.db2.gz XPAQCXRGYUEYEQ-DYVFJYSZSA-N 0 1 314.389 3.535 20 5 DHBDMN COCC[C@@H](N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000272587337 536809374 /nfs/dbraw/zinc/80/93/74/536809374.db2.gz RLGYVGVPHWYCPT-UKRRQHHQSA-N 0 1 318.373 3.925 20 5 DHBDMN CCC[C@@H](NCc1scnc1C)c1cccc([N+](=O)[O-])c1 ZINC000071212632 1014120938 /nfs/dbraw/zinc/12/09/38/1014120938.db2.gz JOLDLASOVGBJPK-CQSZACIVSA-N 0 1 305.403 3.991 20 5 DHBDMN CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CC1 ZINC000593736699 974985005 /nfs/dbraw/zinc/98/50/05/974985005.db2.gz URQSVKSNYCXJKS-NEPJUHHUSA-N 0 1 320.389 3.692 20 5 DHBDMN CC[C@@H](C)C[N@@H+](CC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177856464 1014434887 /nfs/dbraw/zinc/43/48/87/1014434887.db2.gz DYWOUPCXCMOYFJ-GFCCVEGCSA-N 0 1 318.377 3.513 20 5 DHBDMN Cc1cccc([C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1C ZINC001167465600 1014902933 /nfs/dbraw/zinc/90/29/33/1014902933.db2.gz YMLJZTMQYQTESV-QGZVFWFLSA-N 0 1 311.385 3.944 20 5 DHBDMN CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC001596355794 983822451 /nfs/dbraw/zinc/82/24/51/983822451.db2.gz DYSZNWSAGZGGHX-WFASDCNBSA-N 0 1 320.389 3.694 20 5 DHBDMN C[C@@]1(NCc2ccc([N+](=O)[O-])c(F)c2)CCOc2ccccc21 ZINC000933371027 1015220543 /nfs/dbraw/zinc/22/05/43/1015220543.db2.gz PRGTZYUVEIIYTE-QGZVFWFLSA-N 0 1 316.332 3.521 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000896512043 1015604303 /nfs/dbraw/zinc/60/43/03/1015604303.db2.gz KMRLIBFKGSPVLL-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@@H](c2ccccn2)C2CC2)cc1Cl ZINC000896613462 1015673323 /nfs/dbraw/zinc/67/33/23/1015673323.db2.gz XFAZRXJLPIPZJG-MRXNPFEDSA-N 0 1 317.776 3.884 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000276919232 1015746405 /nfs/dbraw/zinc/74/64/05/1015746405.db2.gz OWUHDTFZFBJLET-GFCCVEGCSA-N 0 1 316.357 3.550 20 5 DHBDMN COc1ccc(CN(Cc2ccccc2)C2CC2)cc1[N+](=O)[O-] ZINC000051403083 1016320715 /nfs/dbraw/zinc/32/07/15/1016320715.db2.gz WDQXQDLPWVFUFV-UHFFFAOYSA-N 0 1 312.369 3.768 20 5 DHBDMN Cc1cnc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000277487335 1016400025 /nfs/dbraw/zinc/40/00/25/1016400025.db2.gz NDLMLBXZDYTFJH-UHFFFAOYSA-N 0 1 317.414 3.739 20 5 DHBDMN Cc1nn(C(C)C)cc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281463208 1016529247 /nfs/dbraw/zinc/52/92/47/1016529247.db2.gz UIXBVWDCLVWRIC-ZDUSSCGKSA-N 0 1 316.405 3.840 20 5 DHBDMN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC(C)(C)C ZINC000263818657 1016540176 /nfs/dbraw/zinc/54/01/76/1016540176.db2.gz WUZDPILOXLKGRQ-LLVKDONJSA-N 0 1 318.377 3.684 20 5 DHBDMN C[C@@H](NCc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1 ZINC000346795106 1016562251 /nfs/dbraw/zinc/56/22/51/1016562251.db2.gz NBZDUVBIXGTFQA-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN C[C@@H](NCc1ccc2c(n1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000277609885 1016771876 /nfs/dbraw/zinc/77/18/76/1016771876.db2.gz NGEDVGZRAXYDTN-CYBMUJFWSA-N 0 1 311.385 3.719 20 5 DHBDMN CC[N@@H+](CCC1CC1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000760536049 1032685813 /nfs/dbraw/zinc/68/58/13/1032685813.db2.gz ACKZOXIQRZGWJS-UHFFFAOYSA-N 0 1 314.389 3.538 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(F)(F)F)CC1 ZINC000075997624 1017358984 /nfs/dbraw/zinc/35/89/84/1017358984.db2.gz OPJAOLUGPFUDPY-SNVBAGLBSA-N 0 1 302.296 3.930 20 5 DHBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(C)c1C ZINC000475607026 1017560430 /nfs/dbraw/zinc/56/04/30/1017560430.db2.gz UWPJQVYZNDXPGY-UHFFFAOYSA-N 0 1 314.341 3.584 20 5 DHBDMN Cc1cccc(C)c1[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686035 1017616195 /nfs/dbraw/zinc/61/61/95/1017616195.db2.gz ULCWXQKDKIPMGE-ZDUSSCGKSA-N 0 1 324.384 3.939 20 5 DHBDMN COc1cc(CN(C)Cc2cc(C)cc(C)c2)ccc1[N+](=O)[O-] ZINC000444702390 1017641758 /nfs/dbraw/zinc/64/17/58/1017641758.db2.gz RGJXXAKUQOFVFO-UHFFFAOYSA-N 0 1 314.385 3.852 20 5 DHBDMN CCC[C@@H](N[C@H](CO)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000268880117 1017818258 /nfs/dbraw/zinc/81/82/58/1017818258.db2.gz HTQDGYHXDIJKTD-QZTJIDSGSA-N 0 1 314.385 3.759 20 5 DHBDMN CC(C)[C@@H](CC(F)(F)F)NCc1c(F)cccc1[N+](=O)[O-] ZINC000445890116 1018001722 /nfs/dbraw/zinc/00/17/22/1018001722.db2.gz KYAOCSJOLLFHCV-LLVKDONJSA-N 0 1 308.275 3.801 20 5 DHBDMN Cc1ccc(CNCc2ccc3ccccc3n2)cc1[N+](=O)[O-] ZINC000340405360 1018048450 /nfs/dbraw/zinc/04/84/50/1018048450.db2.gz JMXTUVNZIHNUFD-UHFFFAOYSA-N 0 1 307.353 3.741 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000446140941 1018068820 /nfs/dbraw/zinc/06/88/20/1018068820.db2.gz SZMBJQAIJSJSOM-UHFFFAOYSA-N 0 1 322.246 3.860 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(CCc1ccccc1Cl)C2 ZINC000536009017 1018415977 /nfs/dbraw/zinc/41/59/77/1018415977.db2.gz YYHMEGOZQJXGKR-UHFFFAOYSA-N 0 1 316.788 3.849 20 5 DHBDMN CCCCN(CCCC)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000042080419 1018448623 /nfs/dbraw/zinc/44/86/23/1018448623.db2.gz OGRQANCJVSDQFH-UHFFFAOYSA-N 0 1 318.377 3.514 20 5 DHBDMN O=[N+]([O-])c1cccc(CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000340442700 1018611035 /nfs/dbraw/zinc/61/10/35/1018611035.db2.gz CXTDWLOQHMAWAV-MRXNPFEDSA-N 0 1 316.332 3.737 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](CC(F)(F)F)C1 ZINC000278613692 1018926834 /nfs/dbraw/zinc/92/68/34/1018926834.db2.gz FQAZXPQOBRJMFV-WDEREUQCSA-N 0 1 302.296 3.930 20 5 DHBDMN CN[C@H](CC(C)(C)C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178866 1019227042 /nfs/dbraw/zinc/22/70/42/1019227042.db2.gz OEBMQCXYRVFYFI-GFCCVEGCSA-N 0 1 318.377 3.650 20 5 DHBDMN C[C@@H](NCc1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1 ZINC000077490306 1019330976 /nfs/dbraw/zinc/33/09/76/1019330976.db2.gz WCTNJLBEFFDYHK-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2ccoc2C)cc1[N+](=O)[O-] ZINC000611248225 1019422097 /nfs/dbraw/zinc/42/20/97/1019422097.db2.gz QLPLMKYXCSZDDS-NSHDSACASA-N 0 1 304.346 3.746 20 5 DHBDMN Cc1cccc([C@H]2CCCN2Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000093445084 1020152100 /nfs/dbraw/zinc/15/21/00/1020152100.db2.gz CJXVVDXTPFSAER-QGZVFWFLSA-N 0 1 311.385 3.944 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000555378367 1020235649 /nfs/dbraw/zinc/23/56/49/1020235649.db2.gz QPRVRUIAMGZLRF-HNNXBMFYSA-N 0 1 318.760 3.901 20 5 DHBDMN CN(Cc1cnc(-c2ccccc2)[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC000179315718 1020251695 /nfs/dbraw/zinc/25/16/95/1020251695.db2.gz KFCSNLIMVTZHGG-UHFFFAOYSA-N 0 1 322.368 3.617 20 5 DHBDMN CC[C@H](C)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000179322601 1020252580 /nfs/dbraw/zinc/25/25/80/1020252580.db2.gz DHHFQIOPUBKELL-NSHDSACASA-N 0 1 305.403 3.949 20 5 DHBDMN Cc1ncsc1CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000302200032 1020418594 /nfs/dbraw/zinc/41/85/94/1020418594.db2.gz UVPUVQUBLRRCBW-UHFFFAOYSA-N 0 1 314.370 3.828 20 5 DHBDMN Cc1cccc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)n1 ZINC000302214416 1020420635 /nfs/dbraw/zinc/42/06/35/1020420635.db2.gz ZQBIRRAGVULVKZ-UHFFFAOYSA-N 0 1 308.341 3.767 20 5 DHBDMN C[C@H](N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576038 1032952612 /nfs/dbraw/zinc/95/26/12/1032952612.db2.gz GRCHUDOHHLYXBD-IINYFYTJSA-N 0 1 303.387 3.780 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)c1cccc(C)c1 ZINC000452097602 1021201965 /nfs/dbraw/zinc/20/19/65/1021201965.db2.gz YPJPCASYYLYFLP-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CC[C@@]1(C)CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177162093 1021220838 /nfs/dbraw/zinc/22/08/38/1021220838.db2.gz OHASXPCZORMQLU-INIZCTEOSA-N 0 1 303.362 3.748 20 5 DHBDMN CCC[C@@]1(C)CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000743404568 1021287035 /nfs/dbraw/zinc/28/70/35/1021287035.db2.gz AGWDFIFGOMVMSS-KRWDZBQOSA-N 0 1 316.405 3.804 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CN[C@@H](C)c1nccs1 ZINC000414491695 1021515078 /nfs/dbraw/zinc/51/50/78/1021515078.db2.gz CWHSZIHTUXNUHL-OBIHZWKSSA-N 0 1 303.387 3.805 20 5 DHBDMN CCN(Cc1ccc(C)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000746029528 1021831551 /nfs/dbraw/zinc/83/15/51/1021831551.db2.gz RZCINPWDOSUXOM-UHFFFAOYSA-N 0 1 324.384 3.733 20 5 DHBDMN CC(C)N(Cc1ccccc1F)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000338936926 1021881921 /nfs/dbraw/zinc/88/19/21/1021881921.db2.gz SDJXFFSTCUUOQO-UHFFFAOYSA-N 0 1 318.348 3.850 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]1Cc1ccccc1 ZINC000851806409 1022009009 /nfs/dbraw/zinc/00/90/09/1022009009.db2.gz OTVZOKLQOYOSRQ-INIZCTEOSA-N 0 1 300.333 3.551 20 5 DHBDMN Cc1cc(C)c([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)c1 ZINC000920161355 1022064338 /nfs/dbraw/zinc/06/43/38/1022064338.db2.gz KLIYCHQTXKWFME-LBPRGKRZSA-N 0 1 302.330 3.766 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852598747 1022146871 /nfs/dbraw/zinc/14/68/71/1022146871.db2.gz YNXOJINPNQGFSP-CXAGYDPISA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1c(CN2CCCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000609322704 1022202140 /nfs/dbraw/zinc/20/21/40/1022202140.db2.gz JBTPUJNQUZRLTR-UHFFFAOYSA-N 0 1 302.399 3.913 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000609800984 1022352162 /nfs/dbraw/zinc/35/21/62/1022352162.db2.gz ZJHDIHBMHQWWKD-QGZVFWFLSA-N 0 1 314.410 3.885 20 5 DHBDMN Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338959031 1022410171 /nfs/dbraw/zinc/41/01/71/1022410171.db2.gz XKQVHZPXHZDPAM-AWEZNQCLSA-N 0 1 312.369 3.598 20 5 DHBDMN CC[C@@H](N[C@H]1COCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000417401253 1022727865 /nfs/dbraw/zinc/72/78/65/1022727865.db2.gz LGUXIYFBEIHZJG-MSOLQXFVSA-N 0 1 312.369 3.907 20 5 DHBDMN CCn1ccc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000616786061 1022767723 /nfs/dbraw/zinc/76/77/23/1022767723.db2.gz BYOIKSBEDHHOJC-AWEZNQCLSA-N 0 1 301.390 3.918 20 5 DHBDMN CCn1ccc(CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000616786062 1022768366 /nfs/dbraw/zinc/76/83/66/1022768366.db2.gz BYOIKSBEDHHOJC-CQSZACIVSA-N 0 1 301.390 3.918 20 5 DHBDMN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000068836925 1022769343 /nfs/dbraw/zinc/76/93/43/1022769343.db2.gz DJOYLPZSBUOPCW-MRXNPFEDSA-N 0 1 319.792 3.963 20 5 DHBDMN CC[C@](C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000769786566 1023214620 /nfs/dbraw/zinc/21/46/20/1023214620.db2.gz JZZPWRIQQOTGLY-SFHVURJKSA-N 0 1 324.384 3.886 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1c(C)noc1C ZINC000787405478 1023793674 /nfs/dbraw/zinc/79/36/74/1023793674.db2.gz CHGCTOQKYDALQR-WQLSENKSSA-N 0 1 315.373 3.735 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(C)s1 ZINC000049183464 1023839261 /nfs/dbraw/zinc/83/92/61/1023839261.db2.gz CHORQBPCEXZSSC-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@@H]32)cc1F ZINC000788487021 1023893438 /nfs/dbraw/zinc/89/34/38/1023893438.db2.gz BCFCSAIJRVFGET-LSDHHAIUSA-N 0 1 310.394 3.594 20 5 DHBDMN C[C@@H](NCc1ccc(Cl)cc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788760391 1023930354 /nfs/dbraw/zinc/93/03/54/1023930354.db2.gz ANFPCJVXASTSJA-SECBINFHSA-N 0 1 323.755 3.820 20 5 DHBDMN Cc1c(CN[C@@H](C)c2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000789519150 1024105748 /nfs/dbraw/zinc/10/57/48/1024105748.db2.gz WVHJAJJBYTWATO-NSHDSACASA-N 0 1 305.765 3.802 20 5 DHBDMN CC(C)n1cc([C@@H](C)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000531717332 1024289651 /nfs/dbraw/zinc/28/96/51/1024289651.db2.gz HEAMKEVRCSROAI-CHWSQXEVSA-N 0 1 302.378 3.784 20 5 DHBDMN COc1ccc(C2CC2)cc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000883258420 1024329769 /nfs/dbraw/zinc/32/97/69/1024329769.db2.gz ALEYDHLZXDQNKX-UHFFFAOYSA-N 0 1 312.369 3.771 20 5 DHBDMN Cc1ccc(CN[C@H]2c3ccccc3NC2(C)C)cc1[N+](=O)[O-] ZINC000883464633 1024441297 /nfs/dbraw/zinc/44/12/97/1024441297.db2.gz SDAAENBVAQIGHT-KRWDZBQOSA-N 0 1 311.385 3.938 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000271594813 1024547467 /nfs/dbraw/zinc/54/74/67/1024547467.db2.gz YSCLNHSRUPBFCN-NEPJUHHUSA-N 0 1 317.393 3.557 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cc1[N+](=O)[O-] ZINC000271594816 1024548914 /nfs/dbraw/zinc/54/89/14/1024548914.db2.gz YSCLNHSRUPBFCN-NWDGAFQWSA-N 0 1 317.393 3.557 20 5 DHBDMN Cc1cc(C)cc(C[N@@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339128048 1024570254 /nfs/dbraw/zinc/57/02/54/1024570254.db2.gz OHCRSMMPROMWNY-UHFFFAOYSA-N 0 1 300.358 3.549 20 5 DHBDMN Cc1cc(C)cc(C[N@H+](C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339128048 1024570266 /nfs/dbraw/zinc/57/02/66/1024570266.db2.gz OHCRSMMPROMWNY-UHFFFAOYSA-N 0 1 300.358 3.549 20 5 DHBDMN CCc1noc(CC)c1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000166981418 1024671755 /nfs/dbraw/zinc/67/17/55/1024671755.db2.gz CMVPUPURGXKUBR-HNNXBMFYSA-N 0 1 317.389 3.949 20 5 DHBDMN COc1ccc(C[C@@H](C)N2CCCC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336312 1024745928 /nfs/dbraw/zinc/74/59/28/1024745928.db2.gz WGJFXUKGLQQJSZ-DYVFJYSZSA-N 0 1 324.396 3.749 20 5 DHBDMN COc1ccc(C[C@@H](C)N2CCCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336310 1024747305 /nfs/dbraw/zinc/74/73/05/1024747305.db2.gz WGJFXUKGLQQJSZ-CXAGYDPISA-N 0 1 324.396 3.749 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCOCC3)CC2)cc1Cl ZINC000793624439 1025135503 /nfs/dbraw/zinc/13/55/03/1025135503.db2.gz NDHKJTGTYIUSRH-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN Cc1c(CN[C@H]2CCc3nc(Cl)ccc32)cccc1[N+](=O)[O-] ZINC000806162377 1025820853 /nfs/dbraw/zinc/82/08/53/1025820853.db2.gz VUJXEHYQKHIIIL-ZDUSSCGKSA-N 0 1 317.776 3.729 20 5 DHBDMN Cc1ccc2c(c1)OCCC[C@H]2NCc1ccccc1[N+](=O)[O-] ZINC000089512399 1026051908 /nfs/dbraw/zinc/05/19/08/1026051908.db2.gz DBTCWWDRCYYGHY-MRXNPFEDSA-N 0 1 312.369 3.907 20 5 DHBDMN CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000366477636 1026767935 /nfs/dbraw/zinc/76/79/35/1026767935.db2.gz OCVBGGOIBGKAPT-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN CO[C@@]1(C)CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000366477636 1026767942 /nfs/dbraw/zinc/76/79/42/1026767942.db2.gz OCVBGGOIBGKAPT-HNNXBMFYSA-N 0 1 312.797 3.639 20 5 DHBDMN Cc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812189 1027090804 /nfs/dbraw/zinc/09/08/04/1027090804.db2.gz OFERYRMZHDYSHT-MNOVXSKESA-N 0 1 309.797 3.594 20 5 DHBDMN CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[C@@H](C)OC ZINC000812807593 1027430318 /nfs/dbraw/zinc/43/03/18/1027430318.db2.gz RVWFJNJKOKJONP-SECBINFHSA-N 0 1 321.204 3.758 20 5 DHBDMN Cc1ccc(CN2CC[C@H](CC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000562489000 1027458118 /nfs/dbraw/zinc/45/81/18/1027458118.db2.gz PGJKDFVAOXHDJY-GFCCVEGCSA-N 0 1 302.296 3.678 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000296047860 1027527013 /nfs/dbraw/zinc/52/70/13/1027527013.db2.gz TXDBVNYAIYJALN-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN CCn1cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076720 1027533460 /nfs/dbraw/zinc/53/34/60/1027533460.db2.gz XAFZZWRJBJSLJI-QWHCGFSZSA-N 0 1 302.378 3.531 20 5 DHBDMN CCn1cc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076713 1027535133 /nfs/dbraw/zinc/53/51/33/1027535133.db2.gz XAFZZWRJBJSLJI-OLZOCXBDSA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H](C(F)(F)F)C1 ZINC000778949886 1027633330 /nfs/dbraw/zinc/63/33/30/1027633330.db2.gz DFQFQJNWURGQOX-QWRGUYRKSA-N 0 1 302.296 3.848 20 5 DHBDMN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC000933492628 1027746425 /nfs/dbraw/zinc/74/64/25/1027746425.db2.gz DWDCLCLBXBLQRI-LLVKDONJSA-N 0 1 316.332 3.520 20 5 DHBDMN COCC[C@@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccco1 ZINC000579374408 1028394443 /nfs/dbraw/zinc/39/44/43/1028394443.db2.gz REDLTHJSMWIBDK-LSDHHAIUSA-N 0 1 316.357 3.543 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000924796937 1030189478 /nfs/dbraw/zinc/18/94/78/1030189478.db2.gz DQXPWKJSIDPGAN-QWHCGFSZSA-N 0 1 314.389 3.928 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C1(Br)CC1 ZINC000925691888 1030455678 /nfs/dbraw/zinc/45/56/78/1030455678.db2.gz KPDFMQQFQOCDRZ-VHSXEESVSA-N 0 1 313.195 3.561 20 5 DHBDMN CC[C@H](N[C@@H](CO)c1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000358376791 1030460732 /nfs/dbraw/zinc/46/07/32/1030460732.db2.gz HYRIIYYXPBAMQP-GJZGRUSLSA-N 0 1 320.414 3.739 20 5 DHBDMN COc1cccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000291653500 1030583637 /nfs/dbraw/zinc/58/36/37/1030583637.db2.gz DBLSGZZGZUWRGV-UHFFFAOYSA-N 0 1 300.358 3.628 20 5 DHBDMN CC[C@@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(OC)n1 ZINC000926267815 1030679270 /nfs/dbraw/zinc/67/92/70/1030679270.db2.gz ACXPPFRBZOUUFL-CQSZACIVSA-N 0 1 315.373 3.548 20 5 DHBDMN Cc1ccc(CN[C@@H](C)c2cnn(C3CCC3)c2)cc1[N+](=O)[O-] ZINC000926797295 1030934836 /nfs/dbraw/zinc/93/48/36/1030934836.db2.gz SDGZSKBTIGCNOF-ZDUSSCGKSA-N 0 1 314.389 3.676 20 5 DHBDMN Cc1cnc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000926961058 1031020470 /nfs/dbraw/zinc/02/04/70/1031020470.db2.gz SUKPLLUOTLGOIC-KRWDZBQOSA-N 0 1 311.385 3.774 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc2c1OCC2 ZINC000927092182 1031084996 /nfs/dbraw/zinc/08/49/96/1031084996.db2.gz ZIWXJBDOOYFCEO-ZDUSSCGKSA-N 0 1 312.369 3.689 20 5 DHBDMN CCc1onc(C)c1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927143398 1031117132 /nfs/dbraw/zinc/11/71/32/1031117132.db2.gz ZCQRMIGZHDVWMW-HNNXBMFYSA-N 0 1 303.362 3.695 20 5 DHBDMN Cc1cc(NC[C@H](c2ccsc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000359838199 1031158882 /nfs/dbraw/zinc/15/88/82/1031158882.db2.gz IXGSZOCFGLKWSG-OAHLLOKOSA-N 0 1 323.393 3.819 20 5 DHBDMN CCc1cnc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872037527 1031421624 /nfs/dbraw/zinc/42/16/24/1031421624.db2.gz CYCNSCKMIUNKJU-SNVBAGLBSA-N 0 1 323.393 3.646 20 5 DHBDMN C[C@H](N[C@@H]1CCCC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872049441 1031438530 /nfs/dbraw/zinc/43/85/30/1031438530.db2.gz SSHPKZDXRLJZNZ-VHSXEESVSA-N 0 1 302.296 3.962 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@H]2N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000536860774 1031459748 /nfs/dbraw/zinc/45/97/48/1031459748.db2.gz AWSSKATYKWGODC-SUMWQHHRSA-N 0 1 312.369 3.996 20 5 DHBDMN C[C@H](NC1([C@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093208 1031489767 /nfs/dbraw/zinc/48/97/67/1031489767.db2.gz HGWVBGYHZAIGDJ-SWLSCSKDSA-N 0 1 322.380 3.876 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](OC3CCC3)CC2)cc1F ZINC000872280071 1031572708 /nfs/dbraw/zinc/57/27/08/1031572708.db2.gz JJCPCXKGCAZRQN-OAHLLOKOSA-N 0 1 322.380 3.658 20 5 DHBDMN CCc1ncc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000930637179 1031898430 /nfs/dbraw/zinc/89/84/30/1031898430.db2.gz KHTNQHXMJIYTCA-AWEZNQCLSA-N 0 1 315.373 3.525 20 5 DHBDMN CCc1ncc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000930637179 1031898439 /nfs/dbraw/zinc/89/84/39/1031898439.db2.gz KHTNQHXMJIYTCA-AWEZNQCLSA-N 0 1 315.373 3.525 20 5 DHBDMN Cc1ccc(CNC2(c3cccc(F)c3)CC2)cc1[N+](=O)[O-] ZINC000152863676 1033546685 /nfs/dbraw/zinc/54/66/85/1033546685.db2.gz RLWJGZLIHMAKOV-UHFFFAOYSA-N 0 1 300.333 3.821 20 5 DHBDMN C[C@@H](C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC000555422292 1034689948 /nfs/dbraw/zinc/68/99/48/1034689948.db2.gz SDYZMKQGHRNBGP-ZDUSSCGKSA-N 0 1 303.406 3.564 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000555537366 1034783138 /nfs/dbraw/zinc/78/31/38/1034783138.db2.gz ONZNEDKEOJTQQV-HNNXBMFYSA-N 0 1 312.369 3.680 20 5 DHBDMN CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1Cc2ccccc2C1 ZINC000542001954 1036485861 /nfs/dbraw/zinc/48/58/61/1036485861.db2.gz XOWSOIKYKPBSIO-UHFFFAOYSA-N 0 1 316.788 3.847 20 5 DHBDMN CCc1noc(C)c1CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000271811251 1036549643 /nfs/dbraw/zinc/54/96/43/1036549643.db2.gz ROIBDCNFIPZWJM-HNNXBMFYSA-N 0 1 303.362 3.695 20 5 DHBDMN COc1ccc2c(c1)[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000271851044 1036577886 /nfs/dbraw/zinc/57/78/86/1036577886.db2.gz XPFAYEAYTLYHQH-PXAZEXFGSA-N 0 1 312.369 3.942 20 5 DHBDMN CC(C)[C@@H]1CCCN1Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774636537 1036602210 /nfs/dbraw/zinc/60/22/10/1036602210.db2.gz VGWWANJSYGJETO-AWEZNQCLSA-N 0 1 322.796 3.676 20 5 DHBDMN Cc1cccn2c(CNC(C)(C)c3ccccc3[N+](=O)[O-])cnc12 ZINC000492193197 1036783285 /nfs/dbraw/zinc/78/32/85/1036783285.db2.gz NHAWQHVCURYZCM-UHFFFAOYSA-N 0 1 324.384 3.576 20 5 DHBDMN C[C@@H](N[C@@H](CO)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000089210141 1036923165 /nfs/dbraw/zinc/92/31/65/1036923165.db2.gz UAECQGMMKONMTE-BZNIZROVSA-N 0 1 320.776 3.632 20 5 DHBDMN CCC1(CC)CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774888094 1037169761 /nfs/dbraw/zinc/16/97/61/1037169761.db2.gz RYGOFURAHAGDFP-UHFFFAOYSA-N 0 1 307.350 3.515 20 5 DHBDMN COc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000489286721 1037343110 /nfs/dbraw/zinc/34/31/10/1037343110.db2.gz FAQBZCKAILXJNE-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN CC[C@H](CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)OC ZINC000571486338 1038147690 /nfs/dbraw/zinc/14/76/90/1038147690.db2.gz BEEABUGAZFBPJI-MSOLQXFVSA-N 0 1 314.385 3.699 20 5 DHBDMN Cc1cc(N2CC[C@@H](C(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000589600354 1038516653 /nfs/dbraw/zinc/51/66/53/1038516653.db2.gz XEWBLIWFPBHGHO-SNVBAGLBSA-N 0 1 307.300 3.543 20 5 DHBDMN Cc1cc(N2CC[C@H](C(F)F)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000589600353 1038516964 /nfs/dbraw/zinc/51/69/64/1038516964.db2.gz XEWBLIWFPBHGHO-JTQLQIEISA-N 0 1 307.300 3.543 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]3CCC[C@H]32)c1 ZINC000590174243 1038606137 /nfs/dbraw/zinc/60/61/37/1038606137.db2.gz BGWUVTHLHUPCPN-IINYFYTJSA-N 0 1 314.307 3.988 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC(Cc2ccsc2)C1 ZINC000598676978 1038833107 /nfs/dbraw/zinc/83/31/07/1038833107.db2.gz CLUPKCWCUQLTGQ-UHFFFAOYSA-N 0 1 302.399 3.639 20 5 DHBDMN CC[C@@H](OCCNCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000593664263 1038997645 /nfs/dbraw/zinc/99/76/45/1038997645.db2.gz IPHXWOVDXBJHFJ-GOSISDBHSA-N 0 1 314.385 3.852 20 5 DHBDMN CCCN(Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000170958411 1039131013 /nfs/dbraw/zinc/13/10/13/1039131013.db2.gz XGEUFQNBLRRLPT-OAHLLOKOSA-N 0 1 310.369 3.515 20 5 DHBDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000603776114 1039150520 /nfs/dbraw/zinc/15/05/20/1039150520.db2.gz GUEJHADIVNQGBB-UHFFFAOYSA-N 0 1 322.324 3.546 20 5 DHBDMN Cc1c(CN(C)CCOc2ccccc2F)cccc1[N+](=O)[O-] ZINC000603845273 1039181723 /nfs/dbraw/zinc/18/17/23/1039181723.db2.gz BULVHFJKEDRRPK-UHFFFAOYSA-N 0 1 318.348 3.553 20 5 DHBDMN CC[C@H](NC(=O)c1cc(O)cc([N+](=O)[O-])c1)c1csc(C)c1 ZINC000592900865 1040025183 /nfs/dbraw/zinc/02/51/83/1040025183.db2.gz IYMXFGGBLXDHEW-AWEZNQCLSA-N 0 1 320.370 3.551 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)CC(F)(F)F ZINC000595032665 1040038725 /nfs/dbraw/zinc/03/87/25/1040038725.db2.gz KMPMJXIZRKBTOV-RKDXNWHRSA-N 0 1 306.284 3.595 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCc2ccc(O)cc21 ZINC000595084413 1040076038 /nfs/dbraw/zinc/07/60/38/1040076038.db2.gz FOTYKXAFXLLELM-IRXDYDNUSA-N 0 1 310.353 3.565 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](Oc2ccccc2)C1 ZINC000595831542 1040265395 /nfs/dbraw/zinc/26/53/95/1040265395.db2.gz JVCXIFXZPHJNPB-GOEBONIOSA-N 0 1 312.369 3.809 20 5 DHBDMN Cc1noc(CN2CCC[C@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595882207 1040268915 /nfs/dbraw/zinc/26/89/15/1040268915.db2.gz ZIPYGVWBUGAABM-AWEZNQCLSA-N 0 1 307.394 3.684 20 5 DHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CC1(C)C ZINC000595908743 1040273790 /nfs/dbraw/zinc/27/37/90/1040273790.db2.gz KDSLTQOEYRPTIF-ZDUSSCGKSA-N 0 1 315.373 3.728 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN(C[C@H]1CCCO1)C1CCCC1 ZINC000173841359 1040436962 /nfs/dbraw/zinc/43/69/62/1040436962.db2.gz XCDIZHAATWPWHX-MRXNPFEDSA-N 0 1 322.380 3.658 20 5 DHBDMN Cc1ncsc1CCSCc1cc(O)ccc1[N+](=O)[O-] ZINC000593194827 1040487363 /nfs/dbraw/zinc/48/73/63/1040487363.db2.gz FKIILMVBFRYVID-UHFFFAOYSA-N 0 1 310.400 3.541 20 5 DHBDMN C[C@@H](CNc1ccc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000064029432 1040642103 /nfs/dbraw/zinc/64/21/03/1040642103.db2.gz YVLPUZNUNLBNFP-LBPRGKRZSA-N 0 1 317.414 3.515 20 5 DHBDMN Cc1ncc([C@@H](C)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000602609738 1041123657 /nfs/dbraw/zinc/12/36/57/1041123657.db2.gz FQNWERAXCJHHFD-GFCCVEGCSA-N 0 1 314.389 3.588 20 5 DHBDMN Cc1ccc([C@@H](C)N[C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000090217365 185287091 /nfs/dbraw/zinc/28/70/91/185287091.db2.gz JEAZJYNQSFRPIF-NEPJUHHUSA-N 0 1 303.337 3.849 20 5 DHBDMN C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccccc1[N+](=O)[O-] ZINC000274807444 130264405 /nfs/dbraw/zinc/26/44/05/130264405.db2.gz QEIXSVILLCPNHL-ZDUSSCGKSA-N 0 1 314.385 3.673 20 5 DHBDMN Cc1cc(C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)[nH]n1 ZINC000286856775 131252611 /nfs/dbraw/zinc/25/26/11/131252611.db2.gz MNZIFNCVYDJLDK-UHFFFAOYSA-N 0 1 320.780 3.664 20 5 DHBDMN CC(C)Cn1ncc(Nc2ncccc2[N+](=O)[O-])c1C(F)F ZINC000340576236 132026331 /nfs/dbraw/zinc/02/63/31/132026331.db2.gz ZWXXIAJNJXFRSC-UHFFFAOYSA-N 0 1 311.292 3.524 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC1(c2ccccc2)CCC1 ZINC000170907575 332899958 /nfs/dbraw/zinc/89/99/58/332899958.db2.gz DJZFWDPYOFJASQ-UHFFFAOYSA-N 0 1 312.369 3.772 20 5 DHBDMN CC/C=C\CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449450944 332204909 /nfs/dbraw/zinc/20/49/09/332204909.db2.gz CAVPYDWYQCWKOO-ARJAWSKDSA-N 0 1 303.387 3.774 20 5 DHBDMN O=[N+]([O-])c1cc(CNCc2cccs2)cc(C(F)(F)F)c1 ZINC000487184742 333116876 /nfs/dbraw/zinc/11/68/76/333116876.db2.gz HSPCBPZJIKJNHV-UHFFFAOYSA-N 0 1 316.304 3.965 20 5 DHBDMN CC[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000344463000 335250845 /nfs/dbraw/zinc/25/08/45/335250845.db2.gz POHWTDRBFJIMEQ-OAHLLOKOSA-N 0 1 322.311 3.820 20 5 DHBDMN CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1F ZINC000352556123 336224499 /nfs/dbraw/zinc/22/44/99/336224499.db2.gz VVYLQSKWICPGLJ-HNNXBMFYSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](c1cccnc1)C1CC1 ZINC000527074579 336282700 /nfs/dbraw/zinc/28/27/00/336282700.db2.gz URENYNJASSFZKD-INIZCTEOSA-N 0 1 317.776 3.884 20 5 DHBDMN Cc1cc(N2C[C@H](C)S[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302159747 336351596 /nfs/dbraw/zinc/35/15/96/336351596.db2.gz JOVVVSMFKHGAPC-RYUDHWBXSA-N 0 1 317.414 3.782 20 5 DHBDMN Cc1cc(NCc2ccccc2CO)c2cc([N+](=O)[O-])ccc2n1 ZINC000302194397 336353333 /nfs/dbraw/zinc/35/33/33/336353333.db2.gz SAROCPXWNCIWGB-UHFFFAOYSA-N 0 1 323.352 3.556 20 5 DHBDMN Cc1cc(N(C)Cc2nccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302213929 336354226 /nfs/dbraw/zinc/35/42/26/336354226.db2.gz ZMAOIVHAQYHMQN-UHFFFAOYSA-N 0 1 314.370 3.544 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(OC2CCC2)CC1 ZINC000418096169 336399106 /nfs/dbraw/zinc/39/91/06/336399106.db2.gz UXCFCFWFBBETPN-GQCTYLIASA-N 0 1 316.401 3.642 20 5 DHBDMN CC(C)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000354093516 336459028 /nfs/dbraw/zinc/45/90/28/336459028.db2.gz QELPOGDFIYMQHR-MRXNPFEDSA-N 0 1 303.337 3.616 20 5 DHBDMN CC[C@@H](N[C@H](CO)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000358158181 336613929 /nfs/dbraw/zinc/61/39/29/336613929.db2.gz PGPMSBWEQISJEB-IAGOWNOFSA-N 0 1 318.348 3.508 20 5 DHBDMN COc1ccc(CN2CC3(CCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000430081365 338095239 /nfs/dbraw/zinc/09/52/39/338095239.db2.gz AVTRVSZYDXCNND-INIZCTEOSA-N 0 1 304.390 3.614 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1CN[C@@H](c1cccs1)C1CC1 ZINC000430211839 338101632 /nfs/dbraw/zinc/10/16/32/338101632.db2.gz BEBHCFHMKAFIJF-MRXNPFEDSA-N 0 1 318.398 3.906 20 5 DHBDMN Cc1cncc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000433302551 338190541 /nfs/dbraw/zinc/19/05/41/338190541.db2.gz JCOATOPYVLYVTR-QGZVFWFLSA-N 0 1 311.385 3.810 20 5 DHBDMN CCCCC[C@@H]1CCCN1C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434359103 338215143 /nfs/dbraw/zinc/21/51/43/338215143.db2.gz TZPRTYAAESTTHU-GFCCVEGCSA-N 0 1 322.409 3.626 20 5 DHBDMN CC1(C)CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CCS1 ZINC000434713993 338223804 /nfs/dbraw/zinc/22/38/04/338223804.db2.gz MEJKIZZFGXFEPZ-UHFFFAOYSA-N 0 1 314.838 3.966 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2csc(C)c2)cc1[N+](=O)[O-] ZINC000453092045 338792825 /nfs/dbraw/zinc/79/28/25/338792825.db2.gz VLDRFRVKKRFXIE-NSHDSACASA-N 0 1 306.387 3.824 20 5 DHBDMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000469994231 339307463 /nfs/dbraw/zinc/30/74/63/339307463.db2.gz YJPJFIPTOWPAIW-GFCCVEGCSA-N 0 1 302.296 3.758 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000470954775 339332545 /nfs/dbraw/zinc/33/25/45/339332545.db2.gz CCAYTKHMDBMQTM-CKYFFXLPSA-N 0 1 302.296 3.929 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](C(F)(F)F)[C@H]1C ZINC000470954776 339332692 /nfs/dbraw/zinc/33/26/92/339332692.db2.gz CCAYTKHMDBMQTM-FOGDFJRCSA-N 0 1 302.296 3.929 20 5 DHBDMN Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC000474437248 339414541 /nfs/dbraw/zinc/41/45/41/339414541.db2.gz HHGIRCQDMUQIOJ-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN Cc1c(CN[C@H](c2ccc(F)cn2)C(C)C)cccc1[N+](=O)[O-] ZINC000478505372 339516804 /nfs/dbraw/zinc/51/68/04/339516804.db2.gz GDWLXEOEOIHHEH-KRWDZBQOSA-N 0 1 317.364 3.924 20 5 DHBDMN CCCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000507242552 340215173 /nfs/dbraw/zinc/21/51/73/340215173.db2.gz GSWDZCLFEMLRSU-UHFFFAOYSA-N 0 1 300.305 3.571 20 5 DHBDMN CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000512317501 340356849 /nfs/dbraw/zinc/35/68/49/340356849.db2.gz CDDRTFYTLAQSPP-HNNXBMFYSA-N 0 1 314.360 3.723 20 5 DHBDMN COc1cccc(C2=CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000512683274 340373045 /nfs/dbraw/zinc/37/30/45/340373045.db2.gz PGEVNGZALKDGFW-UHFFFAOYSA-N 0 1 324.380 3.893 20 5 DHBDMN Cc1cccc([C@@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)c1 ZINC000544192377 341074075 /nfs/dbraw/zinc/07/40/75/341074075.db2.gz QDRXOGUDKZLMEA-OAHLLOKOSA-N 0 1 302.399 3.954 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CNC/C(C)=C/c1ccccc1 ZINC000237192322 341208885 /nfs/dbraw/zinc/20/88/85/341208885.db2.gz IHHBBQKMTFOHFZ-GXDHUFHOSA-N 0 1 312.369 3.797 20 5 DHBDMN C[C@H]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H]1C ZINC000245845844 341315890 /nfs/dbraw/zinc/31/58/90/341315890.db2.gz IJNBQLTZYIPSSE-STQMWFEESA-N 0 1 315.373 3.870 20 5 DHBDMN CCCO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267054483 520272922 /nfs/dbraw/zinc/27/29/22/520272922.db2.gz RKWVWWLAEPZIKB-OAHLLOKOSA-N 0 1 310.369 3.515 20 5 DHBDMN CCn1cc([C@@H](C)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000181236622 523459499 /nfs/dbraw/zinc/45/94/99/523459499.db2.gz JLSKSOIVOCHPIX-CHWSQXEVSA-N 0 1 302.378 3.531 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CCCC2(CCOCC2)C1 ZINC000266947809 527355760 /nfs/dbraw/zinc/35/57/60/527355760.db2.gz SIXYVIRAYBSGMW-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN CC(C)n1cc([C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000297219890 535065710 /nfs/dbraw/zinc/06/57/10/535065710.db2.gz HEAMKEVRCSROAI-QWHCGFSZSA-N 0 1 302.378 3.784 20 5 DHBDMN CCc1n[nH]c(Sc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000121123120 535854877 /nfs/dbraw/zinc/85/48/77/535854877.db2.gz QOIGEXSTBNOAQO-UHFFFAOYSA-N 0 1 319.173 3.733 20 5 DHBDMN COc1ccc([C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1O ZINC000297217618 536903977 /nfs/dbraw/zinc/90/39/77/536903977.db2.gz HBUNIXDHAMXPBG-RYUDHWBXSA-N 0 1 316.357 3.721 20 5 DHBDMN O=C(Nc1ccc(C2CCC2)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427984500 1014561406 /nfs/dbraw/zinc/56/14/06/1014561406.db2.gz NGJGYIARPBPCQH-UHFFFAOYSA-N 0 1 312.325 3.820 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)C(F)(F)F ZINC000581263608 1014661189 /nfs/dbraw/zinc/66/11/89/1014661189.db2.gz WTVAGYBYTKVWAT-UHFFFAOYSA-N 0 1 320.311 3.672 20 5 DHBDMN CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000126344309 1014664119 /nfs/dbraw/zinc/66/41/19/1014664119.db2.gz DKHWHORWLSRIJI-UHFFFAOYSA-N 0 1 305.403 3.949 20 5 DHBDMN Cc1ccc(C(C)(C)NCc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000759183906 1014966942 /nfs/dbraw/zinc/96/69/42/1014966942.db2.gz CYVCRRVYRUSZHL-UHFFFAOYSA-N 0 1 319.792 3.977 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H](c3ccccc3)C3CC3)nc2c1 ZINC000341849273 1015769890 /nfs/dbraw/zinc/76/98/90/1015769890.db2.gz ZECFPIQNGBGIKN-SFHVURJKSA-N 0 1 322.368 3.712 20 5 DHBDMN CCCOc1cccc(CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000323518296 1015788955 /nfs/dbraw/zinc/78/89/55/1015788955.db2.gz SRMMHURMPYXDPI-UHFFFAOYSA-N 0 1 314.385 3.982 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H](c3ccncc3)C2)c1 ZINC000846905392 1032128622 /nfs/dbraw/zinc/12/86/22/1032128622.db2.gz IZMPLMPKFWWRFF-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2cccc3c2NCC3)C2CC2)cc1 ZINC000346823193 1016568122 /nfs/dbraw/zinc/56/81/22/1016568122.db2.gz NBEKHMOBXZWDSB-UHFFFAOYSA-N 0 1 323.396 3.727 20 5 DHBDMN CCCCCN(C(=O)c1n[nH]c(CC)c1[N+](=O)[O-])[C@@H](C)CCC ZINC000444057586 1016593571 /nfs/dbraw/zinc/59/35/71/1016593571.db2.gz UXFVYEVJDHXTLF-LBPRGKRZSA-N 0 1 324.425 3.701 20 5 DHBDMN Cc1c(CN[C@@H]2CCCc3c(O)cccc32)cccc1[N+](=O)[O-] ZINC000192349987 1016678377 /nfs/dbraw/zinc/67/83/77/1016678377.db2.gz TUXCFEOWPQEKMV-MRXNPFEDSA-N 0 1 312.369 3.776 20 5 DHBDMN C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000339076138 1016808041 /nfs/dbraw/zinc/80/80/41/1016808041.db2.gz VDADTQHHURVHSN-SNVBAGLBSA-N 0 1 306.749 3.805 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCCC(=O)OC(C)(C)C ZINC000444230377 1016887418 /nfs/dbraw/zinc/88/74/18/1016887418.db2.gz YEZZQRCAMOGLEM-CYBMUJFWSA-N 0 1 322.405 3.710 20 5 DHBDMN CCOC(CN(CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C)OCC ZINC000846977028 1032176473 /nfs/dbraw/zinc/17/64/73/1032176473.db2.gz YFUCYFJULBIJLG-CQSZACIVSA-N 0 1 324.421 3.685 20 5 DHBDMN CC(C)Oc1cccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000781671589 1012630413 /nfs/dbraw/zinc/63/04/13/1012630413.db2.gz VFCDZQRRLDUVAF-NSHDSACASA-N 0 1 318.329 3.628 20 5 DHBDMN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1O ZINC000254985632 1012641964 /nfs/dbraw/zinc/64/19/64/1012641964.db2.gz UTJHBXSLYUFQPP-TWGQIWQCSA-N 0 1 318.716 3.606 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000475271330 1017110946 /nfs/dbraw/zinc/11/09/46/1017110946.db2.gz CLUHHHASYFDDPY-ZWNOBZJWSA-N 0 1 302.296 3.676 20 5 DHBDMN CC[C@@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649904 1017604658 /nfs/dbraw/zinc/60/46/58/1017604658.db2.gz LMPXBTZXZCTSLW-GFCCVEGCSA-N 0 1 302.378 3.626 20 5 DHBDMN CC(=Cc1ccccc1)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446833713 1018263625 /nfs/dbraw/zinc/26/36/25/1018263625.db2.gz DTULXQKZBIJEJR-LCYFTJDESA-N 0 1 322.368 3.664 20 5 DHBDMN CC[C@@H](NCc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921819230 1018900167 /nfs/dbraw/zinc/90/01/67/1018900167.db2.gz WNKFMWJPZAAMME-QGZVFWFLSA-N 0 1 314.389 3.757 20 5 DHBDMN CC[C@H](NCc1ccnn1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000921819229 1018905096 /nfs/dbraw/zinc/90/50/96/1018905096.db2.gz WNKFMWJPZAAMME-KRWDZBQOSA-N 0 1 314.389 3.757 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CSc2n[nH]c(C3CC3)n2)c1 ZINC000172023706 1018907660 /nfs/dbraw/zinc/90/76/60/1018907660.db2.gz VJZRNVHTNYTKGV-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CSc2nc(C3CC3)n[nH]2)c1 ZINC000172023706 1018907646 /nfs/dbraw/zinc/90/76/46/1018907646.db2.gz VJZRNVHTNYTKGV-UHFFFAOYSA-N 0 1 310.766 3.536 20 5 DHBDMN Cc1cc(C)c(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1C ZINC000278733999 1019103477 /nfs/dbraw/zinc/10/34/77/1019103477.db2.gz QQQZLIAAUDOCME-UHFFFAOYSA-N 0 1 324.384 3.686 20 5 DHBDMN COc1ccccc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000079121344 1019676572 /nfs/dbraw/zinc/67/65/72/1019676572.db2.gz MGGMPNPATJCYOQ-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@@H](NCc1cnc(C(C)(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922537397 1020118647 /nfs/dbraw/zinc/11/86/47/1020118647.db2.gz FJWFRGCPSVTLBQ-GFCCVEGCSA-N 0 1 314.389 3.533 20 5 DHBDMN CC[C@@H](C)CN(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000732183878 1020209399 /nfs/dbraw/zinc/20/93/99/1020209399.db2.gz ULQGZLZBJFLXHX-SNVBAGLBSA-N 0 1 309.391 3.807 20 5 DHBDMN COc1cc(CN2C3CCCC2CCC3)c([N+](=O)[O-])cc1F ZINC000613380453 1020927028 /nfs/dbraw/zinc/92/70/28/1020927028.db2.gz QWDDDFGCTNTWDM-UHFFFAOYSA-N 0 1 308.353 3.650 20 5 DHBDMN CC(C)[N@H+](Cc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338925253 1021358211 /nfs/dbraw/zinc/35/82/11/1021358211.db2.gz LWRRRJFHVSDIMJ-UHFFFAOYSA-N 0 1 306.387 3.773 20 5 DHBDMN CC(C)[N@@H+](Cc1cccs1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338925253 1021358229 /nfs/dbraw/zinc/35/82/29/1021358229.db2.gz LWRRRJFHVSDIMJ-UHFFFAOYSA-N 0 1 306.387 3.773 20 5 DHBDMN Cc1noc(C)c1[C@@H](C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618568499 1021427131 /nfs/dbraw/zinc/42/71/31/1021427131.db2.gz XKHFJNOYTWPHJM-QLJPJBMISA-N 0 1 315.373 3.928 20 5 DHBDMN Cc1c([C@H](C)N[C@H]2C[C@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000850528194 1021580029 /nfs/dbraw/zinc/58/00/29/1021580029.db2.gz JKSYEKMFVGRYEH-IWEFOYFVSA-N 0 1 312.369 3.732 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1C[C@H](O)c2ccccc21 ZINC000850530285 1021585178 /nfs/dbraw/zinc/58/51/78/1021585178.db2.gz YJGBPBFDIPFKEM-IGNZVWTISA-N 0 1 312.369 3.732 20 5 DHBDMN COc1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1 ZINC000893173353 1022145738 /nfs/dbraw/zinc/14/57/38/1022145738.db2.gz MYJXWNZYNOZJPJ-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000195417423 1022180378 /nfs/dbraw/zinc/18/03/78/1022180378.db2.gz RERLJDXSYZWRSA-MRXNPFEDSA-N 0 1 300.358 3.844 20 5 DHBDMN CC[C@@H]1CO[C@](C)(CCC(C)C)N1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038910 1022222504 /nfs/dbraw/zinc/22/25/04/1022222504.db2.gz LGCIPCDGLCNJGR-QBPKDAKJSA-N 0 1 312.454 3.695 20 5 DHBDMN CCO[C@@H]1C[C@@H](N(C)Cc2cc(F)ccc2[N+](=O)[O-])C12CCC2 ZINC000763453599 1022291095 /nfs/dbraw/zinc/29/10/95/1022291095.db2.gz PMQAWMMXZNEKEC-HZPDHXFCSA-N 0 1 322.380 3.513 20 5 DHBDMN Nc1ccc2cc3ccc(Nc4cc[nH]c(=O)c4)cc3nc2c1 ZINC001212278282 1022632696 /nfs/dbraw/zinc/63/26/96/1022632696.db2.gz QZMCDOBVUYIDES-UHFFFAOYSA-N 0 1 302.337 3.814 20 5 DHBDMN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000180218809 1022663573 /nfs/dbraw/zinc/66/35/73/1022663573.db2.gz UBBFHUCXKLYSLW-UHFFFAOYSA-N 0 1 324.380 3.832 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000014878203 1022898248 /nfs/dbraw/zinc/89/82/48/1022898248.db2.gz CLZNQUDSNSKAED-UHFFFAOYSA-N 0 1 322.324 3.546 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2cnccc2C)ccc1[N+](=O)[O-] ZINC000617219550 1022900142 /nfs/dbraw/zinc/90/01/42/1022900142.db2.gz UKHLFHLZZJSTTJ-CYBMUJFWSA-N 0 1 315.373 3.548 20 5 DHBDMN CC(C)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000538728385 1033149707 /nfs/dbraw/zinc/14/97/07/1033149707.db2.gz QPSOXRQIFXOILV-BIENSFFJSA-N 0 1 306.431 3.681 20 5 DHBDMN COc1ccc(CN[C@H](C)c2cc(F)cc(F)c2)cc1[N+](=O)[O-] ZINC000268793877 1024163723 /nfs/dbraw/zinc/16/37/23/1024163723.db2.gz CUMGTRUKBLUMPS-SNVBAGLBSA-N 0 1 322.311 3.732 20 5 DHBDMN CN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000613906868 1024306735 /nfs/dbraw/zinc/30/67/35/1024306735.db2.gz AMMDPZQGUWOYKQ-UHFFFAOYSA-N 0 1 322.320 3.730 20 5 DHBDMN Cc1ccc(CNCc2cccc(OC(F)F)c2)cc1[N+](=O)[O-] ZINC000105477847 1024387191 /nfs/dbraw/zinc/38/71/91/1024387191.db2.gz HGSIECYMLSCXBV-UHFFFAOYSA-N 0 1 322.311 3.794 20 5 DHBDMN CC[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(F)F ZINC000453246155 1024423184 /nfs/dbraw/zinc/42/31/84/1024423184.db2.gz MJKBGZGAYHHKMJ-UBHSHLNASA-N 0 1 312.360 3.939 20 5 DHBDMN Cc1cc(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)ccn1 ZINC000453284318 1024439270 /nfs/dbraw/zinc/43/92/70/1024439270.db2.gz IEIKLXXAQOKSQM-QGZVFWFLSA-N 0 1 311.385 3.810 20 5 DHBDMN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1nccs1 ZINC000271168758 1024464057 /nfs/dbraw/zinc/46/40/57/1024464057.db2.gz TXKPAJOIJLSJMH-NSHDSACASA-N 0 1 323.443 3.712 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(CCC(F)(F)F)CC2CC2)cc1F ZINC000283247061 1024616229 /nfs/dbraw/zinc/61/62/29/1024616229.db2.gz VDAOCZSNFHCEKN-UHFFFAOYSA-N 0 1 320.286 3.898 20 5 DHBDMN CCn1ccc(CN(C)Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000792182282 1024643465 /nfs/dbraw/zinc/64/34/65/1024643465.db2.gz AEWREFGLIAMPDP-UHFFFAOYSA-N 0 1 307.781 3.702 20 5 DHBDMN CC(C)c1nc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000349219513 1024689544 /nfs/dbraw/zinc/68/95/44/1024689544.db2.gz QWXZYNPDLOQPHL-MRVPVSSYSA-N 0 1 309.757 3.663 20 5 DHBDMN CC[C@]1(C)CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000353685503 1025198639 /nfs/dbraw/zinc/19/86/39/1025198639.db2.gz IGXIIKWGUDIYKA-QGZVFWFLSA-N 0 1 322.405 3.624 20 5 DHBDMN CCOc1cccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])c1 ZINC000171129200 1025300156 /nfs/dbraw/zinc/30/01/56/1025300156.db2.gz NXJYBYWSULYZEI-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN CCCCOC1CCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000353996845 1025316899 /nfs/dbraw/zinc/31/68/99/1025316899.db2.gz GKBDYRIIZSYHOE-UHFFFAOYSA-N 0 1 306.406 3.684 20 5 DHBDMN CC(C)OCCCN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000354212122 1025382776 /nfs/dbraw/zinc/38/27/76/1025382776.db2.gz ZPIDKMUGLUHXQO-UHFFFAOYSA-N 0 1 324.421 3.629 20 5 DHBDMN O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)CC2CCCC2)C2CC2)cc1 ZINC000354727005 1025493389 /nfs/dbraw/zinc/49/33/89/1025493389.db2.gz GLLNYLCPJPLVOL-GOSISDBHSA-N 0 1 318.417 3.500 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)c(O)cc1F ZINC000805254867 1025565904 /nfs/dbraw/zinc/56/59/04/1025565904.db2.gz IHDMBURQEFXKTQ-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN Cc1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1[N+](=O)[O-] ZINC000805259927 1025569404 /nfs/dbraw/zinc/56/94/04/1025569404.db2.gz NODVLDKBNYLAGI-UHFFFAOYSA-N 0 1 324.695 3.654 20 5 DHBDMN CO[C@]1(C)CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000355211479 1025640099 /nfs/dbraw/zinc/64/00/99/1025640099.db2.gz BYPOBDGBZNZAQD-QGZVFWFLSA-N 0 1 306.406 3.719 20 5 DHBDMN CC(C)c1ccc(CN2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000355534789 1025757604 /nfs/dbraw/zinc/75/76/04/1025757604.db2.gz UGDDADWUBKQHAG-UHFFFAOYSA-N 0 1 318.417 3.721 20 5 DHBDMN CCc1nc(C)c([C@H](C)NCc2ccccc2[N+](=O)[O-])s1 ZINC000089511911 1026052680 /nfs/dbraw/zinc/05/26/80/1026052680.db2.gz IUKXHTHBBROFRH-JTQLQIEISA-N 0 1 305.403 3.773 20 5 DHBDMN C[C@H](N(C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(C)CC1 ZINC000089909236 1026073016 /nfs/dbraw/zinc/07/30/16/1026073016.db2.gz ZVQRWJVIEAOETA-LBPRGKRZSA-N 0 1 315.373 3.870 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(OC2CCC2)CC1 ZINC000419281399 1026087365 /nfs/dbraw/zinc/08/73/65/1026087365.db2.gz GRABMIKQXUNRNT-ZDUSSCGKSA-N 0 1 304.390 3.689 20 5 DHBDMN COc1cc(F)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000090972130 1026095458 /nfs/dbraw/zinc/09/54/58/1026095458.db2.gz MGAOSVRNMYGJDJ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CC(C)CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000356803307 1026175970 /nfs/dbraw/zinc/17/59/70/1026175970.db2.gz LQAPPJJKHHDLHD-UHFFFAOYSA-N 0 1 320.389 3.731 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000289853376 1026201937 /nfs/dbraw/zinc/20/19/37/1026201937.db2.gz QKURNTJARZUOOC-UHOFOFEASA-N 0 1 304.390 3.545 20 5 DHBDMN COc1ccc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1O ZINC000289946805 1026246370 /nfs/dbraw/zinc/24/63/70/1026246370.db2.gz WISRVNVFIADPBF-RYUDHWBXSA-N 0 1 316.357 3.721 20 5 DHBDMN CC[C@H](NCc1cc(OC)ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000293730250 1026852887 /nfs/dbraw/zinc/85/28/87/1026852887.db2.gz ZFGSFSHERIMQPF-KRWDZBQOSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCOC1CCC1 ZINC000811482764 1027008884 /nfs/dbraw/zinc/00/88/84/1027008884.db2.gz RDHPQQJJPWHITB-UHFFFAOYSA-N 0 1 319.188 3.560 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(c2ncco2)CC1 ZINC000931445790 1027125232 /nfs/dbraw/zinc/12/52/32/1027125232.db2.gz DPDYGNDWYYRAOQ-ZDUSSCGKSA-N 0 1 315.373 3.832 20 5 DHBDMN CC[C@@H](C)c1nc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)c2)n[nH]1 ZINC000362954012 1027464374 /nfs/dbraw/zinc/46/43/74/1027464374.db2.gz FRILZRZSEJASMG-KOLCDFICSA-N 0 1 303.366 3.708 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccn3)C2)cc1Cl ZINC000798964806 1027666764 /nfs/dbraw/zinc/66/67/64/1027666764.db2.gz MZMWERRLFGKMKX-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN Cc1ccc(CN2CCC(c3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000367460834 1028189345 /nfs/dbraw/zinc/18/93/45/1028189345.db2.gz KEEYMRNKPIVQGU-UHFFFAOYSA-N 0 1 311.385 3.678 20 5 DHBDMN CON(Cc1ccc(Cl)cc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000815118259 1028366435 /nfs/dbraw/zinc/36/64/35/1028366435.db2.gz HCWWHEGKAJEFRC-UHFFFAOYSA-N 0 1 322.748 3.517 20 5 DHBDMN C[C@@H](NCc1ccnn1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000449094483 1028368614 /nfs/dbraw/zinc/36/86/14/1028368614.db2.gz ZPNGXRCNMGTOLR-CYBMUJFWSA-N 0 1 314.389 3.757 20 5 DHBDMN Cc1nc(C)c([C@H](C)NCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000040445794 1028542264 /nfs/dbraw/zinc/54/22/64/1028542264.db2.gz SDPOENRCVBRHOC-JTQLQIEISA-N 0 1 305.403 3.827 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3ccncc3F)C2)cc1 ZINC000449499226 1028712321 /nfs/dbraw/zinc/71/23/21/1028712321.db2.gz LOVPWAIYFZUSDT-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN CN1CCC[C@@H](NCc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000449653959 1028889871 /nfs/dbraw/zinc/88/98/71/1028889871.db2.gz UICPEKGRIXPOQC-CQSZACIVSA-N 0 1 317.414 3.717 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CCCc2cccnc21 ZINC000372764471 1028897139 /nfs/dbraw/zinc/89/71/39/1028897139.db2.gz LASUJBVYNLJFFB-QGZVFWFLSA-N 0 1 311.385 3.808 20 5 DHBDMN O=[N+]([O-])c1ccccc1Sc1nc(-c2ccccc2F)n[nH]1 ZINC000042678101 1029040664 /nfs/dbraw/zinc/04/06/64/1029040664.db2.gz WSRNYGQUOVZLBP-UHFFFAOYSA-N 0 1 316.317 3.670 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3C[C@@H]3C(F)F)o2)c1 ZINC000568438904 1029066291 /nfs/dbraw/zinc/06/62/91/1029066291.db2.gz PBIJSTWLKPPVLI-STQMWFEESA-N 0 1 308.284 3.598 20 5 DHBDMN O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](c2cccnc2)C1 ZINC000569238586 1029200113 /nfs/dbraw/zinc/20/01/13/1029200113.db2.gz NORALJIERPLJBB-ZDUSSCGKSA-N 0 1 317.776 3.633 20 5 DHBDMN CCc1c(Nc2ncc([N+](=O)[O-])c(C)n2)cnn1C(CC)CC ZINC000450480308 1029503782 /nfs/dbraw/zinc/50/37/82/1029503782.db2.gz TZYQNSYSPZEXOD-UHFFFAOYSA-N 0 1 318.381 3.557 20 5 DHBDMN CC[C@@H](N[C@H](C)c1cc(OC)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000925229795 1029580328 /nfs/dbraw/zinc/58/03/28/1029580328.db2.gz IMYQHQLKDXTHTD-MLGOLLRUSA-N 0 1 315.373 3.800 20 5 DHBDMN C[C@@H]1c2ccccc2CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000530663119 1029949333 /nfs/dbraw/zinc/94/93/33/1029949333.db2.gz KGDWJUVSIHUDJO-CQSZACIVSA-N 0 1 312.369 3.593 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000451835693 1030023315 /nfs/dbraw/zinc/02/33/15/1030023315.db2.gz KGIWWXZBJPJSMJ-QGZVFWFLSA-N 0 1 312.369 3.958 20 5 DHBDMN CSc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000865787265 1030024772 /nfs/dbraw/zinc/02/47/72/1030024772.db2.gz JTOZQGIYDWXIGG-UHFFFAOYSA-N 0 1 308.428 3.976 20 5 DHBDMN CCC[C@@H](N[C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612522 1030402569 /nfs/dbraw/zinc/40/25/69/1030402569.db2.gz KMOOODHYUZHYKP-IUODEOHRSA-N 0 1 302.378 3.520 20 5 DHBDMN CCC[C@H](N[C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000866612524 1030403474 /nfs/dbraw/zinc/40/34/74/1030403474.db2.gz KMOOODHYUZHYKP-WFASDCNBSA-N 0 1 302.378 3.520 20 5 DHBDMN Cc1c(CN2C[C@H](C)C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824926 1030637963 /nfs/dbraw/zinc/63/79/63/1030637963.db2.gz NXZZQYULPRKJTD-FZKQIMNGSA-N 0 1 311.385 3.881 20 5 DHBDMN CC1(C)CC[C@@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000359899129 1031186550 /nfs/dbraw/zinc/18/65/50/1031186550.db2.gz LJUJZVKIWCSMJS-INIZCTEOSA-N 0 1 304.390 3.517 20 5 DHBDMN CC1(C)CC[C@H](CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000359899130 1031186664 /nfs/dbraw/zinc/18/66/64/1031186664.db2.gz LJUJZVKIWCSMJS-MRXNPFEDSA-N 0 1 304.390 3.517 20 5 DHBDMN CCc1nc(CCN[C@H](C)c2c(F)cccc2[N+](=O)[O-])cs1 ZINC000872030188 1031414579 /nfs/dbraw/zinc/41/45/79/1031414579.db2.gz APSVKIVORXWBGX-SNVBAGLBSA-N 0 1 323.393 3.646 20 5 DHBDMN C[C@@H](NC[C@H]1CCCC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872075225 1031472132 /nfs/dbraw/zinc/47/21/32/1031472132.db2.gz AQAABASSJPOXFJ-NXEZZACHSA-N 0 1 302.296 3.820 20 5 DHBDMN CO[C@@](C)([C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872080064 1031476632 /nfs/dbraw/zinc/47/66/32/1031476632.db2.gz SKIGOEITZGFNSC-UVWXRNBGSA-N 0 1 310.369 3.588 20 5 DHBDMN C[C@@H](NC1([C@@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093204 1031490781 /nfs/dbraw/zinc/49/07/81/1031490781.db2.gz HGWVBGYHZAIGDJ-DOMZBBRYSA-N 0 1 322.380 3.876 20 5 DHBDMN CCN(C)c1ccccc1CNCc1cccc([N+](=O)[O-])c1C ZINC000873048340 1031698074 /nfs/dbraw/zinc/69/80/74/1031698074.db2.gz XMYXCBZJHPXDKN-UHFFFAOYSA-N 0 1 313.401 3.649 20 5 DHBDMN Cc1c(CN[C@H]2CCOc3c(F)cccc32)cccc1[N+](=O)[O-] ZINC000873111706 1031713053 /nfs/dbraw/zinc/71/30/53/1031713053.db2.gz GCHNMWLFRINQCZ-HNNXBMFYSA-N 0 1 316.332 3.656 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H]1c1ccncc1 ZINC000877522519 1033334311 /nfs/dbraw/zinc/33/43/11/1033334311.db2.gz BHTHHBQWJJOELY-SFHVURJKSA-N 0 1 311.385 3.944 20 5 DHBDMN C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000877681272 1033409556 /nfs/dbraw/zinc/40/95/56/1033409556.db2.gz FVLFXVPPGGUZQL-DNSOKLHBSA-N 0 1 319.188 3.557 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCCCC23CC3)c1F ZINC001173197317 1033590481 /nfs/dbraw/zinc/59/04/81/1033590481.db2.gz SPKFNGAYWWKZQA-GFCCVEGCSA-N 0 1 322.380 3.692 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](c2cccnc2)C1 ZINC000878756530 1033817959 /nfs/dbraw/zinc/81/79/59/1033817959.db2.gz OWEBKLNRYJKVQZ-AWEZNQCLSA-N 0 1 315.348 3.509 20 5 DHBDMN COc1cccc(C2=CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000479563815 1033818593 /nfs/dbraw/zinc/81/85/93/1033818593.db2.gz BSPFMXLXQVHTFK-UHFFFAOYSA-N 0 1 324.380 3.893 20 5 DHBDMN COc1cccc(C2=CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000479563815 1033818608 /nfs/dbraw/zinc/81/86/08/1033818608.db2.gz BSPFMXLXQVHTFK-UHFFFAOYSA-N 0 1 324.380 3.893 20 5 DHBDMN CCOc1ccccc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178648795 1034255824 /nfs/dbraw/zinc/25/58/24/1034255824.db2.gz XZCTVAZFZGEWND-ZDUSSCGKSA-N 0 1 300.358 3.844 20 5 DHBDMN Cc1cccc(CN(C)Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000794642055 1034312542 /nfs/dbraw/zinc/31/25/42/1034312542.db2.gz PKSSZNCPFKCHGC-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN CCSc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000187794949 1034732976 /nfs/dbraw/zinc/73/29/76/1034732976.db2.gz JBCAACDHZWWJJX-LBPRGKRZSA-N 0 1 317.414 3.953 20 5 DHBDMN CC1(C)SC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811503475 1035332458 /nfs/dbraw/zinc/33/24/58/1035332458.db2.gz OAJOLTPITFFGQN-JTQLQIEISA-N 0 1 321.229 3.885 20 5 DHBDMN C[C@@H](N[C@H](C)c1cccc2c1OCO2)c1cccc([N+](=O)[O-])c1 ZINC000924798330 1035410339 /nfs/dbraw/zinc/41/03/39/1035410339.db2.gz MJZCLLDGAQDOMV-VXGBXAGGSA-N 0 1 314.341 3.735 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cnn(C2CCC2)c1 ZINC000924799744 1035435412 /nfs/dbraw/zinc/43/54/12/1035435412.db2.gz UGYYBSWXQCKBCJ-STQMWFEESA-N 0 1 314.389 3.928 20 5 DHBDMN C[C@@H](Cc1cccc(F)c1)N(C)Cc1ccc([N+](=O)[O-])cc1F ZINC001195010977 1036106222 /nfs/dbraw/zinc/10/62/22/1036106222.db2.gz BJAAIMRSMWQSCU-LBPRGKRZSA-N 0 1 320.339 3.936 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC001195214423 1036182216 /nfs/dbraw/zinc/18/22/16/1036182216.db2.gz VCRRKXDHEMPJQP-ZDUSSCGKSA-N 0 1 306.406 3.862 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCSCC3)CC2)c(F)c1 ZINC001196685612 1036596252 /nfs/dbraw/zinc/59/62/52/1036596252.db2.gz ZGLIEKWQCXXQNT-UHFFFAOYSA-N 0 1 324.421 3.843 20 5 DHBDMN CC[C@H](CN(CC)Cn1cc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000774701470 1036714446 /nfs/dbraw/zinc/71/44/46/1036714446.db2.gz JDQRCXSVRABTNR-OAHLLOKOSA-N 0 1 316.405 3.573 20 5 DHBDMN CS[C@@H]1CCCCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000492209498 1036785287 /nfs/dbraw/zinc/78/52/87/1036785287.db2.gz LOOSPPXOHLRIIE-LLVKDONJSA-N 0 1 314.838 3.966 20 5 DHBDMN Cc1ccccc1OCCN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000487675345 1037248227 /nfs/dbraw/zinc/24/82/27/1037248227.db2.gz QHESTRRTPACBPL-HNNXBMFYSA-N 0 1 314.385 3.975 20 5 DHBDMN CN1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC001186367490 1037373897 /nfs/dbraw/zinc/37/38/97/1037373897.db2.gz CLWYZVHKLCFVCP-AWEZNQCLSA-N 0 1 311.813 3.781 20 5 DHBDMN Cc1nc2ccc(CNCc3ccccc3[N+](=O)[O-])cc2s1 ZINC000494325387 1038053820 /nfs/dbraw/zinc/05/38/20/1038053820.db2.gz DIDPMSFXUOQPLZ-UHFFFAOYSA-N 0 1 313.382 3.803 20 5 DHBDMN CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001190560088 1038343158 /nfs/dbraw/zinc/34/31/58/1038343158.db2.gz HFRVSADLWBNHNM-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN CCN(Cc1ccc(C)cc1)Cc1ccc([N+](=O)[O-])cc1OC ZINC001190560088 1038343171 /nfs/dbraw/zinc/34/31/71/1038343171.db2.gz HFRVSADLWBNHNM-UHFFFAOYSA-N 0 1 314.385 3.934 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@H]3CCC[C@H]32)c1 ZINC000590174244 1038605482 /nfs/dbraw/zinc/60/54/82/1038605482.db2.gz BGWUVTHLHUPCPN-QMTHXVAHSA-N 0 1 314.307 3.988 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CC[C@@H]3CCC[C@@H]32)c1 ZINC000590174242 1038606488 /nfs/dbraw/zinc/60/64/88/1038606488.db2.gz BGWUVTHLHUPCPN-HZMBPMFUSA-N 0 1 314.307 3.988 20 5 DHBDMN CN(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000045733268 1038786739 /nfs/dbraw/zinc/78/67/39/1038786739.db2.gz RRTLHHNPRXQTCW-CQSZACIVSA-N 0 1 309.366 3.510 20 5 DHBDMN COc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000598977872 1038974379 /nfs/dbraw/zinc/97/43/79/1038974379.db2.gz PDOCJSKNVJOAKC-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cccnc2C)cc1[N+](=O)[O-] ZINC000599072801 1039029545 /nfs/dbraw/zinc/02/95/45/1039029545.db2.gz IQWVGKNGLNDGJU-LBPRGKRZSA-N 0 1 315.373 3.548 20 5 DHBDMN COc1cccc(C2(NCc3ccc([N+](=O)[O-])cc3)CCC2)c1 ZINC000594997405 1040010692 /nfs/dbraw/zinc/01/06/92/1040010692.db2.gz KSLUNZBNBAEBEW-UHFFFAOYSA-N 0 1 312.369 3.772 20 5 DHBDMN Cc1c([C@@H](C)N[C@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000595092813 1040079471 /nfs/dbraw/zinc/07/94/71/1040079471.db2.gz XDSFYBVKFBRZTK-PXAZEXFGSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1noc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000595324886 1040108083 /nfs/dbraw/zinc/10/80/83/1040108083.db2.gz CRBJREOPFBZFGH-DOMZBBRYSA-N 0 1 315.373 3.517 20 5 DHBDMN CCOc1cccc([C@@H](C)NCc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595414786 1040133961 /nfs/dbraw/zinc/13/39/61/1040133961.db2.gz MYUUDUSLEWTGPV-GFCCVEGCSA-N 0 1 318.348 3.983 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN[C@@H](c1ccccc1)C1CC1 ZINC000595426346 1040135076 /nfs/dbraw/zinc/13/50/76/1040135076.db2.gz SZMWXDHZSIXAOM-KRWDZBQOSA-N 0 1 300.333 3.975 20 5 DHBDMN COc1cc(CN2CCC(c3ccco3)CC2)ccc1[N+](=O)[O-] ZINC000595617632 1040193731 /nfs/dbraw/zinc/19/37/31/1040193731.db2.gz XTCXZYCAJAYZEW-UHFFFAOYSA-N 0 1 316.357 3.576 20 5 DHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CCCSCC1 ZINC000602590875 1041106141 /nfs/dbraw/zinc/10/61/41/1041106141.db2.gz KAJMLVDAYMBFMI-UHFFFAOYSA-N 0 1 320.336 3.553 20 5 DHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@H]1C1CC1 ZINC000602679827 1041162401 /nfs/dbraw/zinc/16/24/01/1041162401.db2.gz SEPDBQAASFRNRI-GFCCVEGCSA-N 0 1 300.280 3.598 20 5 DHBDMN CCC(CC)[C@@H](NCc1cn(C)nc1[N+](=O)[O-])c1ccccc1 ZINC000602803361 1041228088 /nfs/dbraw/zinc/22/80/88/1041228088.db2.gz XGEOKRAXJPZIPI-MRXNPFEDSA-N 0 1 316.405 3.595 20 5 DHBDMN COc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000006506012 181347277 /nfs/dbraw/zinc/34/72/77/181347277.db2.gz HRCZTXUUTOIEJX-UHFFFAOYSA-N 0 1 315.354 3.772 20 5 DHBDMN COc1ncc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000284513508 131087021 /nfs/dbraw/zinc/08/70/21/131087021.db2.gz WFYCHLOQEHLXOW-JTQLQIEISA-N 0 1 321.764 3.503 20 5 DHBDMN Cc1cc(Nc2nc(C)cc(C)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000541331673 435643357 /nfs/dbraw/zinc/64/33/57/435643357.db2.gz KODGHYMCZCHXOH-LBPRGKRZSA-N 0 1 315.377 3.826 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H](C)OC2(CCC2)C1 ZINC000584292313 332220770 /nfs/dbraw/zinc/22/07/70/332220770.db2.gz GFXYTLHLCIRJOF-KQGZCTBQSA-N 0 1 316.401 3.642 20 5 DHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1ccc(F)cn1 ZINC000318368538 332693652 /nfs/dbraw/zinc/69/36/52/332693652.db2.gz AUUZZBOVOHOUDX-AWEZNQCLSA-N 0 1 303.337 3.678 20 5 DHBDMN CCc1ccc(OCc2ccc3nc(C)[nH]c3c2)c([N+](=O)[O-])c1 ZINC000460451121 333089434 /nfs/dbraw/zinc/08/94/34/333089434.db2.gz CLUYQJOTFHEBNV-UHFFFAOYSA-N 0 1 311.341 3.921 20 5 DHBDMN COC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985173 333171299 /nfs/dbraw/zinc/17/12/99/333171299.db2.gz VKKKRORJFRBCAI-SJKOYZFVSA-N 0 1 318.348 3.772 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1cccc(Br)c1 ZINC000048068886 333568996 /nfs/dbraw/zinc/56/89/96/333568996.db2.gz NXVQYZIASVNLGA-UHFFFAOYSA-N 0 1 321.174 3.647 20 5 DHBDMN COc1ccc([C@H](C)NCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000414071157 333891053 /nfs/dbraw/zinc/89/10/53/333891053.db2.gz CXPHCHMQHUBWBM-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1c(CN[C@@H](c2cncc(F)c2)C2CC2)cccc1[N+](=O)[O-] ZINC000343456685 335170053 /nfs/dbraw/zinc/17/00/53/335170053.db2.gz NCFKEGFOFHMJGP-QGZVFWFLSA-N 0 1 315.348 3.678 20 5 DHBDMN CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2nc[nH]c2c1 ZINC000535078668 334364449 /nfs/dbraw/zinc/36/44/49/334364449.db2.gz BILIUGNCQPEGQO-UHFFFAOYSA-N 0 1 324.384 3.882 20 5 DHBDMN CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2nc[nH]c2c1 ZINC000535078668 334364451 /nfs/dbraw/zinc/36/44/51/334364451.db2.gz BILIUGNCQPEGQO-UHFFFAOYSA-N 0 1 324.384 3.882 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(O)c1)CCCC2 ZINC000417306845 334704523 /nfs/dbraw/zinc/70/45/23/334704523.db2.gz AYHLPXBEWGQPPN-GOSISDBHSA-N 0 1 312.369 3.858 20 5 DHBDMN Cc1cc(NCc2ccc(CN(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000301850053 336333936 /nfs/dbraw/zinc/33/39/36/336333936.db2.gz ARBLVIVGWMQMSW-UHFFFAOYSA-N 0 1 317.364 3.716 20 5 DHBDMN O=[N+]([O-])c1ccsc1NC[C@H](c1cccs1)N1CCCC1 ZINC000302010514 336342938 /nfs/dbraw/zinc/34/29/38/336342938.db2.gz YHUAYPYZJJICMD-GFCCVEGCSA-N 0 1 323.443 3.967 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CCC(c2ccccn2)CC1 ZINC000367461670 336822968 /nfs/dbraw/zinc/82/29/68/336822968.db2.gz ZSIFSVFIDNEIGN-FNORWQNLSA-N 0 1 323.396 3.883 20 5 DHBDMN Cc1ccc2nc([C@H]3CCCN3c3ccc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000582580419 337108203 /nfs/dbraw/zinc/10/82/03/337108203.db2.gz ONGFQSQDKOYCKC-OAHLLOKOSA-N 0 1 323.356 3.516 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000582877409 337209140 /nfs/dbraw/zinc/20/91/40/337209140.db2.gz OBLWUTPFODPYFW-FSBNRTBOSA-N 0 1 310.344 3.975 20 5 DHBDMN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(F)(F)[C@@H](C)C1 ZINC000582877409 337209141 /nfs/dbraw/zinc/20/91/41/337209141.db2.gz OBLWUTPFODPYFW-FSBNRTBOSA-N 0 1 310.344 3.975 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCC(OC2CCCCC2)CC1 ZINC000125627902 337413060 /nfs/dbraw/zinc/41/30/60/337413060.db2.gz JTFSVWVOBVWKGZ-UHFFFAOYSA-N 0 1 318.417 3.909 20 5 DHBDMN Cc1ccccc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284139072 337571056 /nfs/dbraw/zinc/57/10/56/337571056.db2.gz ORMACZJXWHSICB-GFCCVEGCSA-N 0 1 315.329 3.662 20 5 DHBDMN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000537024214 337870911 /nfs/dbraw/zinc/87/09/11/337870911.db2.gz BNGFWJXEVNPFFN-LLVKDONJSA-N 0 1 322.311 3.603 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CNCc1cc(C)cs1 ZINC000449477056 338628752 /nfs/dbraw/zinc/62/87/52/338628752.db2.gz HKCPJRSSMIUCBN-UHFFFAOYSA-N 0 1 306.387 3.653 20 5 DHBDMN Cc1cnc(Sc2nc3ccc(Cl)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000463052938 339103219 /nfs/dbraw/zinc/10/32/19/339103219.db2.gz JPCCNSBTMAUODG-UHFFFAOYSA-N 0 1 320.761 3.979 20 5 DHBDMN COc1cc(CN(CCC(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000463479981 339119247 /nfs/dbraw/zinc/11/92/47/339119247.db2.gz DQRYJTMXWOCJAY-UHFFFAOYSA-N 0 1 310.369 3.753 20 5 DHBDMN CCC1(CC)CN(Cc2ccc([N+](=O)[O-])c(OC)c2)CCS1 ZINC000464584814 339146209 /nfs/dbraw/zinc/14/62/09/339146209.db2.gz AJAYDJWNVFCHFT-UHFFFAOYSA-N 0 1 324.446 3.711 20 5 DHBDMN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccccc1Cl ZINC000511073407 340320161 /nfs/dbraw/zinc/32/01/61/340320161.db2.gz PHGDIEZXPUHTAQ-UHFFFAOYSA-N 0 1 304.777 3.923 20 5 DHBDMN CCCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000156698785 520372504 /nfs/dbraw/zinc/37/25/04/520372504.db2.gz IXEVDSCTYRRVQB-ZDUSSCGKSA-N 0 1 315.373 3.629 20 5 DHBDMN CCSc1cc(CNCc2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000189606839 521734193 /nfs/dbraw/zinc/73/41/93/521734193.db2.gz FSMIOVUMXGPXCX-UHFFFAOYSA-N 0 1 317.414 3.700 20 5 DHBDMN C[C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)[C@H]1C ZINC000246463379 524517652 /nfs/dbraw/zinc/51/76/52/524517652.db2.gz OEWGCUUQDKKFJH-NEPJUHHUSA-N 0 1 317.414 3.949 20 5 DHBDMN C[C@H](N[C@H]1CCOc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000188055911 525625823 /nfs/dbraw/zinc/62/58/23/525625823.db2.gz VVANQNYSMLLZNJ-ZBEGNZNMSA-N 0 1 316.332 3.908 20 5 DHBDMN Cc1csc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000156774035 526332403 /nfs/dbraw/zinc/33/24/03/526332403.db2.gz APCSBHQWVTZPQQ-UHFFFAOYSA-N 0 1 317.414 3.739 20 5 DHBDMN O=[N+]([O-])c1ccc(CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000190800531 527350496 /nfs/dbraw/zinc/35/04/96/527350496.db2.gz JBLDCHGBXCTXGG-UHFFFAOYSA-N 0 1 312.369 3.673 20 5 DHBDMN CC(C)(CO)[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000289249047 535171237 /nfs/dbraw/zinc/17/12/37/535171237.db2.gz CGERKMUKRYDTNG-HNNXBMFYSA-N 0 1 320.414 3.506 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263038487 962159867 /nfs/dbraw/zinc/15/98/67/962159867.db2.gz CBTYJTFFSBFBEM-KBPBESRZSA-N 0 1 320.389 3.541 20 5 DHBDMN CCc1noc(C)c1CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340440899 1013794446 /nfs/dbraw/zinc/79/44/46/1013794446.db2.gz TTXDVIBTIKLTRO-QGZVFWFLSA-N 0 1 315.373 3.621 20 5 DHBDMN CCC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120910343 1013880171 /nfs/dbraw/zinc/88/01/71/1013880171.db2.gz VAQKCGMXUCKRLS-LBPRGKRZSA-N 0 1 303.362 3.748 20 5 DHBDMN CCC[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000120910343 1013880178 /nfs/dbraw/zinc/88/01/78/1013880178.db2.gz VAQKCGMXUCKRLS-LBPRGKRZSA-N 0 1 303.362 3.748 20 5 DHBDMN O=[N+]([O-])CCN(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC001307463196 1013882526 /nfs/dbraw/zinc/88/25/26/1013882526.db2.gz KMFQJLBXGYEIBV-UHFFFAOYSA-N 0 1 316.323 3.727 20 5 DHBDMN CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492138 1014847228 /nfs/dbraw/zinc/84/72/28/1014847228.db2.gz IOFVRKLUMTYNRU-KDOFPFPSSA-N 0 1 320.433 3.965 20 5 DHBDMN COc1cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000348676009 1015092976 /nfs/dbraw/zinc/09/29/76/1015092976.db2.gz BTXTWXDTDPNHOY-QWHCGFSZSA-N 0 1 315.373 3.719 20 5 DHBDMN Cc1ccc(CNCc2cccc3c2NCCC3)cc1[N+](=O)[O-] ZINC000895458769 1015164373 /nfs/dbraw/zinc/16/43/73/1015164373.db2.gz RUDHLZCENCIMEF-UHFFFAOYSA-N 0 1 311.385 3.551 20 5 DHBDMN COc1cccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])c1C ZINC000895465669 1015170769 /nfs/dbraw/zinc/17/07/69/1015170769.db2.gz ITGPXAHVJKSOGP-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN C[C@@H](CNc1ccccc1[N+](=O)[O-])N1CCc2sccc2C1 ZINC000025500376 1015442823 /nfs/dbraw/zinc/44/28/23/1015442823.db2.gz QNTYWUVCLVSLDW-LBPRGKRZSA-N 0 1 317.414 3.515 20 5 DHBDMN CC(C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000610582552 1015631698 /nfs/dbraw/zinc/63/16/98/1015631698.db2.gz XCYOPCOEMJNQPM-LBPRGKRZSA-N 0 1 303.362 3.604 20 5 DHBDMN CC(C)C[N@@H+](Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC001591342740 992321460 /nfs/dbraw/zinc/32/14/60/992321460.db2.gz IBEMVKFPMAINLN-UHFFFAOYSA-N 0 1 320.389 3.694 20 5 DHBDMN CCOc1cc(CNC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000276942756 1015763837 /nfs/dbraw/zinc/76/38/37/1015763837.db2.gz SKXZGLMFEOZLBM-UHFFFAOYSA-N 0 1 312.369 3.772 20 5 DHBDMN CCO[C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000610930437 1015946013 /nfs/dbraw/zinc/94/60/13/1015946013.db2.gz CHCOCWDBVVIWGB-HNNXBMFYSA-N 0 1 306.406 3.719 20 5 DHBDMN CSC[C@@H]1CCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135476492 1016236640 /nfs/dbraw/zinc/23/66/40/1016236640.db2.gz QXUCJECJGQITSH-LBPRGKRZSA-N 0 1 300.811 3.576 20 5 DHBDMN COc1cc2c(cc1F)CC[C@@H]2NCc1ccc([N+](=O)[O-])cc1 ZINC000281473604 1016532757 /nfs/dbraw/zinc/53/27/57/1016532757.db2.gz FJTJYOPCBIUVMW-INIZCTEOSA-N 0 1 316.332 3.520 20 5 DHBDMN CCCCOC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000537621783 1032314515 /nfs/dbraw/zinc/31/45/15/1032314515.db2.gz DKXSVRBJWLQNEN-VURMDHGXSA-N 0 1 318.417 3.889 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3CC(CC(F)F)C3)o2)c1 ZINC000425363929 1012491944 /nfs/dbraw/zinc/49/19/44/1012491944.db2.gz DJAXHBQIHJCRDC-UHFFFAOYSA-N 0 1 322.311 3.942 20 5 DHBDMN CC[C@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444649905 1017603606 /nfs/dbraw/zinc/60/36/06/1017603606.db2.gz LMPXBTZXZCTSLW-LBPRGKRZSA-N 0 1 302.378 3.626 20 5 DHBDMN O=[N+]([O-])c1ccc2[nH]c(CNC3(c4ccccc4)CCC3)nc2c1 ZINC000444651143 1017606867 /nfs/dbraw/zinc/60/68/67/1017606867.db2.gz GAVVELBWLRIEBK-UHFFFAOYSA-N 0 1 322.368 3.640 20 5 DHBDMN C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000524425738 1017991979 /nfs/dbraw/zinc/99/19/79/1017991979.db2.gz IQKULJQUFLUTGH-UHFFFAOYSA-N 0 1 304.777 3.923 20 5 DHBDMN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1Cl ZINC000524425738 1017991989 /nfs/dbraw/zinc/99/19/89/1017991989.db2.gz IQKULJQUFLUTGH-UHFFFAOYSA-N 0 1 304.777 3.923 20 5 DHBDMN Cc1nc(C)c([C@H](C)NCc2cccc([N+](=O)[O-])c2C)s1 ZINC000040518618 1018178786 /nfs/dbraw/zinc/17/87/86/1018178786.db2.gz QYOZWQYPBGPTNS-JTQLQIEISA-N 0 1 305.403 3.827 20 5 DHBDMN O=[N+]([O-])c1ccccc1C[N@@H+](CCOc1ccccc1)C1CC1 ZINC000441263426 1018394875 /nfs/dbraw/zinc/39/48/75/1018394875.db2.gz JIFLGVOUTVHBFN-UHFFFAOYSA-N 0 1 312.369 3.638 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(CCOc1ccccc1)C1CC1 ZINC000441263426 1018394888 /nfs/dbraw/zinc/39/48/88/1018394888.db2.gz JIFLGVOUTVHBFN-UHFFFAOYSA-N 0 1 312.369 3.638 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccco3)C2)c(Cl)c1 ZINC000611784999 1018659021 /nfs/dbraw/zinc/65/90/21/1018659021.db2.gz SJPJXLFWOFNCCJ-GFCCVEGCSA-N 0 1 306.749 3.831 20 5 DHBDMN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC(C)(C)C ZINC000263818658 1032788680 /nfs/dbraw/zinc/78/86/80/1032788680.db2.gz WUZDPILOXLKGRQ-NSHDSACASA-N 0 1 318.377 3.684 20 5 DHBDMN Cc1ccc(CN[C@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000923026617 1018989762 /nfs/dbraw/zinc/98/97/62/1018989762.db2.gz VQJIVKWWEVSZET-GOSISDBHSA-N 0 1 312.369 3.691 20 5 DHBDMN O=C(Nc1ccc(Cl)cc1-c1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001128179159 1019077652 /nfs/dbraw/zinc/07/76/52/1019077652.db2.gz GLNNOGIDTNFKPO-UKRRQHHQSA-N 0 1 316.744 3.611 20 5 DHBDMN CCc1ccc([C@@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000090844002 1019421165 /nfs/dbraw/zinc/42/11/65/1019421165.db2.gz NACFIFMWBLMXIM-FZKQIMNGSA-N 0 1 314.385 3.541 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CCC(c2ccccn2)CC1 ZINC000611265520 1019428799 /nfs/dbraw/zinc/42/87/99/1019428799.db2.gz ZSIFSVFIDNEIGN-ALCCZGGFSA-N 0 1 323.396 3.883 20 5 DHBDMN CC(C)(C)n1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000080346977 1019860278 /nfs/dbraw/zinc/86/02/78/1019860278.db2.gz ZTTDWXIUZCPPMI-UHFFFAOYSA-N 0 1 316.405 3.571 20 5 DHBDMN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1cc(F)ccc1OC ZINC000922620688 1020163165 /nfs/dbraw/zinc/16/31/65/1020163165.db2.gz WNQGEIHQVDKTHN-MRXNPFEDSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1ccc([C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000155211859 1020200811 /nfs/dbraw/zinc/20/08/11/1020200811.db2.gz MDVOTSFTCIXHEH-AWEZNQCLSA-N 0 1 318.398 3.654 20 5 DHBDMN COc1ccc([C@H]2CCN(Cc3csc([N+](=O)[O-])c3)C2)cc1 ZINC000155211859 1020200817 /nfs/dbraw/zinc/20/08/17/1020200817.db2.gz MDVOTSFTCIXHEH-AWEZNQCLSA-N 0 1 318.398 3.654 20 5 DHBDMN CCS[C@@H]1CCCCN(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000732571787 1020254794 /nfs/dbraw/zinc/25/47/94/1020254794.db2.gz YXAVZQPJXUSABR-CQSZACIVSA-N 0 1 312.410 3.842 20 5 DHBDMN CCc1cc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n[nH]1 ZINC000732921399 1020299941 /nfs/dbraw/zinc/29/99/41/1020299941.db2.gz YHHWCUMWWRVSTN-UHFFFAOYSA-N 0 1 314.267 3.511 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@H]1CCCc2cccnc21 ZINC000922885545 1020357386 /nfs/dbraw/zinc/35/73/86/1020357386.db2.gz SFMOOTJVAIJWIB-INIZCTEOSA-N 0 1 311.385 3.774 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](c1ccco1)N(C)C ZINC000302759054 1020436883 /nfs/dbraw/zinc/43/68/83/1020436883.db2.gz JNOMAZAKRDXZBE-CYBMUJFWSA-N 0 1 323.780 3.864 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCCc2sccc2C1 ZINC000612577495 1020628640 /nfs/dbraw/zinc/62/86/40/1020628640.db2.gz ZXSPYKLQOHKLQY-UHFFFAOYSA-N 0 1 302.399 3.913 20 5 DHBDMN CC[C@H](C)N(CC)Cc1cc([N+](=O)[O-])ccc1Br ZINC001171917544 1032918961 /nfs/dbraw/zinc/91/89/61/1032918961.db2.gz ZIMFDBLSFOZJEY-JTQLQIEISA-N 0 1 315.211 3.978 20 5 DHBDMN CCN(CCc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834850 1020668036 /nfs/dbraw/zinc/66/80/36/1020668036.db2.gz ANTFZXSKZCCKQM-UHFFFAOYSA-N 0 1 319.792 3.708 20 5 DHBDMN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000735487748 1020739250 /nfs/dbraw/zinc/73/92/50/1020739250.db2.gz YOESDYZVODBABQ-QMMMGPOBSA-N 0 1 317.736 3.693 20 5 DHBDMN COc1ccc(C)cc1[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000066236443 1020747447 /nfs/dbraw/zinc/74/74/47/1020747447.db2.gz SSGWAYRKWGMSFV-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1C ZINC000414175025 1020963736 /nfs/dbraw/zinc/96/37/36/1020963736.db2.gz YTLVCAFIFVDAEZ-GOSISDBHSA-N 0 1 311.385 3.774 20 5 DHBDMN C[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccns1 ZINC000858576040 1032951964 /nfs/dbraw/zinc/95/19/64/1032951964.db2.gz GRCHUDOHHLYXBD-YGRLFVJLSA-N 0 1 303.387 3.780 20 5 DHBDMN Cc1c(NC(=O)c2cc(-c3ccccc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000007774698 1021154097 /nfs/dbraw/zinc/15/40/97/1021154097.db2.gz CWDLVVUBBQHMNX-UHFFFAOYSA-N 0 1 322.324 3.546 20 5 DHBDMN COc1c(O)ccc(CN[C@@H](C)c2ccc(C)s2)c1[N+](=O)[O-] ZINC000892669224 1021254142 /nfs/dbraw/zinc/25/41/42/1021254142.db2.gz QBNDODXTKBNZDL-JTQLQIEISA-N 0 1 322.386 3.530 20 5 DHBDMN CCN(Cc1ccccc1C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000917437502 1021261022 /nfs/dbraw/zinc/26/10/22/1021261022.db2.gz WRXCYENQTKMQNM-UHFFFAOYSA-N 0 1 324.384 3.733 20 5 DHBDMN CCOc1ccc([C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000194515084 1021392504 /nfs/dbraw/zinc/39/25/04/1021392504.db2.gz LZIIOFFEJBFBHM-CYBMUJFWSA-N 0 1 300.358 3.844 20 5 DHBDMN CC[C@@H]1C[C@H](C)CN1Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000744442065 1021546684 /nfs/dbraw/zinc/54/66/84/1021546684.db2.gz WBZHVTXCGMOFEK-WDEREUQCSA-N 0 1 321.402 3.950 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[C@@H](O)c3ccccc31)CCC2 ZINC000850527175 1021580639 /nfs/dbraw/zinc/58/06/39/1021580639.db2.gz UTLRVPSRPLNIDE-CEXWTWQISA-N 0 1 324.380 3.740 20 5 DHBDMN COc1cccc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1C ZINC000850578154 1021618814 /nfs/dbraw/zinc/61/88/14/1021618814.db2.gz JOIPEUOEAADVOA-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN CCN(C)c1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000746047558 1021830934 /nfs/dbraw/zinc/83/09/34/1021830934.db2.gz OWKIYNWZMBOIEM-CQSZACIVSA-N 0 1 313.401 3.902 20 5 DHBDMN O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000556927416 1021952032 /nfs/dbraw/zinc/95/20/32/1021952032.db2.gz PFWZVDUSHFYIKW-UHFFFAOYSA-N 0 1 322.430 3.552 20 5 DHBDMN CC[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000556997052 1022003701 /nfs/dbraw/zinc/00/37/01/1022003701.db2.gz IRONBUAIXWQIQQ-LLVKDONJSA-N 0 1 302.296 3.988 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3ccccn3)C2)cc1F ZINC000852084141 1022069530 /nfs/dbraw/zinc/06/95/30/1022069530.db2.gz QEPGTZLQJKCLBA-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN CCN(Cc1c(F)cccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169041642 1022225037 /nfs/dbraw/zinc/22/50/37/1022225037.db2.gz BTTZIWQKHYEUGD-NWDGAFQWSA-N 0 1 314.788 3.746 20 5 DHBDMN Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 ZINC000014206878 1022316113 /nfs/dbraw/zinc/31/61/13/1022316113.db2.gz XPMVXGLADKOBBQ-UHFFFAOYSA-N 0 1 322.324 3.546 20 5 DHBDMN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl ZINC000068836924 1022768305 /nfs/dbraw/zinc/76/83/05/1022768305.db2.gz DJOYLPZSBUOPCW-INIZCTEOSA-N 0 1 319.792 3.963 20 5 DHBDMN O=[N+]([O-])c1cc(CN2CCC[C@@]3(CCCOC3)C2)ccc1Cl ZINC000768548927 1022994681 /nfs/dbraw/zinc/99/46/81/1022994681.db2.gz LEKISLPVMWBQHR-MRXNPFEDSA-N 0 1 324.808 3.641 20 5 DHBDMN C[C@@H]1C[C@H](C)N(Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769471260 1023160661 /nfs/dbraw/zinc/16/06/61/1023160661.db2.gz RNMAZLFRYQOEAJ-ZJUUUORDSA-N 0 1 313.195 3.588 20 5 DHBDMN Cc1ncc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000278841867 1023471789 /nfs/dbraw/zinc/47/17/89/1023471789.db2.gz UWYNNYZVCWPFKY-HNNXBMFYSA-N 0 1 303.387 3.527 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]1Cc1ccccc1 ZINC000538722833 1033146186 /nfs/dbraw/zinc/14/61/86/1033146186.db2.gz UBFFJJVNUYELNL-TWVNLXSWSA-N 0 1 308.381 3.925 20 5 DHBDMN C[C@@H]1C[C@H](C)CN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000538717423 1033142713 /nfs/dbraw/zinc/14/27/13/1033142713.db2.gz ZZFRFIUYSDIFIR-NWDGAFQWSA-N 0 1 317.414 3.949 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]1Cc1ccccc1 ZINC000538722831 1033147102 /nfs/dbraw/zinc/14/71/02/1033147102.db2.gz UBFFJJVNUYELNL-OEPRFQHASA-N 0 1 308.381 3.925 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCS[C@@H]3CCCC[C@H]32)cc1F ZINC000788487020 1023894025 /nfs/dbraw/zinc/89/40/25/1023894025.db2.gz BCFCSAIJRVFGET-HUUCEWRRSA-N 0 1 310.394 3.594 20 5 DHBDMN CCCC1CCC(N(C)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000790476949 1024307872 /nfs/dbraw/zinc/30/78/72/1024307872.db2.gz GZVWBYCIYYDVJX-UHFFFAOYSA-N 0 1 308.426 3.656 20 5 DHBDMN O=[N+]([O-])c1cccc(CN[C@H]2CSCc3ccccc32)c1 ZINC000051634407 1024314129 /nfs/dbraw/zinc/31/41/29/1024314129.db2.gz DAARPGUSYDTPMG-INIZCTEOSA-N 0 1 300.383 3.673 20 5 DHBDMN CN(C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000791409850 1024492630 /nfs/dbraw/zinc/49/26/30/1024492630.db2.gz UWKBNJGBDYBJLY-CYBMUJFWSA-N 0 1 309.753 3.556 20 5 DHBDMN Cc1c([C@@H](C)N[C@H](C)c2n[nH]c(C(C)C)n2)cccc1[N+](=O)[O-] ZINC000271457824 1024512149 /nfs/dbraw/zinc/51/21/49/1024512149.db2.gz GZERDOZIKVAPDA-VXGBXAGGSA-N 0 1 317.393 3.557 20 5 DHBDMN O=[N+]([O-])c1ccc(O)cc1CN1CCc2cc(Cl)ccc2C1 ZINC000339122000 1024571104 /nfs/dbraw/zinc/57/11/04/1024571104.db2.gz HCUJQOAEBCOGJH-UHFFFAOYSA-N 0 1 318.760 3.512 20 5 DHBDMN Cc1nc(C)c([C@H](C)N(C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000106877011 1024607399 /nfs/dbraw/zinc/60/73/99/1024607399.db2.gz XEYTXZHDBZJUKC-NSHDSACASA-N 0 1 305.403 3.861 20 5 DHBDMN Cc1noc(C)c1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975182 1024653543 /nfs/dbraw/zinc/65/35/43/1024653543.db2.gz CNDJTRUEOMZLSV-INIZCTEOSA-N 0 1 315.373 3.712 20 5 DHBDMN CCC[C@H](N[C@H](CO)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000349344245 1024706276 /nfs/dbraw/zinc/70/62/76/1024706276.db2.gz RFDWCQFKINPMAE-JKSUJKDBSA-N 0 1 320.414 3.821 20 5 DHBDMN C[C@H]1CCN(Cc2cc(O)ccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000354041183 1025332563 /nfs/dbraw/zinc/33/25/63/1025332563.db2.gz REMJJKRCTONMNI-BLLLJJGKSA-N 0 1 316.357 3.867 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN(Cc1ccc(O)cc1)CC1CC1 ZINC000354121972 1025362178 /nfs/dbraw/zinc/36/21/78/1025362178.db2.gz HBMRAQFQDFWUJN-UHFFFAOYSA-N 0 1 312.369 3.713 20 5 DHBDMN CC(C)[C@H](NCc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000886046569 1025449674 /nfs/dbraw/zinc/44/96/74/1025449674.db2.gz JBOAUWHNVNKLMF-HNNXBMFYSA-N 0 1 303.337 3.616 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000090217423 1025452318 /nfs/dbraw/zinc/45/23/18/1025452318.db2.gz VNFBZKSGLNBVRI-NWDGAFQWSA-N 0 1 314.389 3.722 20 5 DHBDMN Cc1cc([C@H](NCc2cccnc2[N+](=O)[O-])C2CC2)ccc1F ZINC000886116162 1025513907 /nfs/dbraw/zinc/51/39/07/1025513907.db2.gz BOOHLKPYDATYHM-MRXNPFEDSA-N 0 1 315.348 3.678 20 5 DHBDMN C[C@@H](N[C@@H]1CCc2nc(Cl)ccc21)c1cccc([N+](=O)[O-])c1 ZINC000806134843 1025779252 /nfs/dbraw/zinc/77/92/52/1025779252.db2.gz OOOPIIGJVBYLMO-QMTHXVAHSA-N 0 1 317.776 3.981 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(F)(F)F)CC1 ZINC000075996694 1025857252 /nfs/dbraw/zinc/85/72/52/1025857252.db2.gz DOVDKMBSICTOGM-SNVBAGLBSA-N 0 1 302.296 3.930 20 5 DHBDMN COC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000089668781 1026061840 /nfs/dbraw/zinc/06/18/40/1026061840.db2.gz RWPFGZCKISRIDB-DYVFJYSZSA-N 0 1 300.358 3.633 20 5 DHBDMN COC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000089668036 1026062738 /nfs/dbraw/zinc/06/27/38/1026062738.db2.gz RTAOXVRCMQJLPI-PBHICJAKSA-N 0 1 314.385 3.942 20 5 DHBDMN CN(Cc1ccc(O)cc1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809753835 1026616261 /nfs/dbraw/zinc/61/62/61/1026616261.db2.gz SFRHSBNTUTYPTP-UHFFFAOYSA-N 0 1 306.749 3.586 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H]1CCC=CO1 ZINC000811493058 1027012346 /nfs/dbraw/zinc/01/23/46/1027012346.db2.gz FXIQZYYEDKLRMU-LLVKDONJSA-N 0 1 317.172 3.684 20 5 DHBDMN Cc1cc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000811812180 1027091213 /nfs/dbraw/zinc/09/12/13/1027091213.db2.gz OFERYRMZHDYSHT-GHMZBOCLSA-N 0 1 309.797 3.594 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC=C(c2ccccn2)C1 ZINC000571962471 1027160767 /nfs/dbraw/zinc/16/07/67/1027160767.db2.gz MMYFBYLQJFSPFD-AWEZNQCLSA-N 0 1 309.369 3.840 20 5 DHBDMN Cc1ccc2nc([C@@H]3CCCN3c3ccc([N+](=O)[O-])nc3)[nH]c2c1 ZINC000562529311 1027484844 /nfs/dbraw/zinc/48/48/44/1027484844.db2.gz FZXGNUAXHNFTRE-HNNXBMFYSA-N 0 1 323.356 3.516 20 5 DHBDMN CCn1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000296076724 1027534411 /nfs/dbraw/zinc/53/44/11/1027534411.db2.gz XAFZZWRJBJSLJI-STQMWFEESA-N 0 1 302.378 3.531 20 5 DHBDMN Cc1ccc([C@@H](C)NCc2ccc3c(n2)CCC3)cc1[N+](=O)[O-] ZINC000577070488 1027701570 /nfs/dbraw/zinc/70/15/70/1027701570.db2.gz PGRXDKBUEMVKHI-CYBMUJFWSA-N 0 1 311.385 3.638 20 5 DHBDMN CN(C)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000578572855 1028183160 /nfs/dbraw/zinc/18/31/60/1028183160.db2.gz VIPKIHGNUXTKEF-UHFFFAOYSA-N 0 1 319.792 3.922 20 5 DHBDMN Cc1c(CNCc2ccnn2C2CCCC2)cccc1[N+](=O)[O-] ZINC000449277817 1028504172 /nfs/dbraw/zinc/50/41/72/1028504172.db2.gz GSOGJEOPZSELIG-UHFFFAOYSA-N 0 1 314.389 3.505 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCc2c1cccc2O ZINC000567061512 1028826904 /nfs/dbraw/zinc/82/69/04/1028826904.db2.gz YQUIUIPZWKCHHF-JKSUJKDBSA-N 0 1 310.353 3.565 20 5 DHBDMN Cc1nc2ccc(NC(=O)[C@H](C)c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000570384988 1029361557 /nfs/dbraw/zinc/36/15/57/1029361557.db2.gz JBALHHREQPEKFX-SNVBAGLBSA-N 0 1 324.340 3.522 20 5 DHBDMN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](c2ccccn2)C1 ZINC000821331861 1029826613 /nfs/dbraw/zinc/82/66/13/1029826613.db2.gz GJVYOSTYFOPGOP-ZDUSSCGKSA-N 0 1 315.348 3.509 20 5 DHBDMN CC1(C)[C@H](NCc2c(Cl)cccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451477126 1029878993 /nfs/dbraw/zinc/87/89/93/1029878993.db2.gz HEWATUIZSRSGED-COLVAYQJSA-N 0 1 324.808 3.541 20 5 DHBDMN C[C@H](NCc1ccc(C(F)F)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000865581961 1029925599 /nfs/dbraw/zinc/92/55/99/1029925599.db2.gz URRRKPDKTZNWNR-JTQLQIEISA-N 0 1 307.300 3.778 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(c1ccncc1C(F)(F)F)C2 ZINC000865644256 1029957888 /nfs/dbraw/zinc/95/78/88/1029957888.db2.gz MSYVEZIEFSPIRR-UHFFFAOYSA-N 0 1 323.274 3.571 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccnc(F)c1)CCCC2 ZINC000866475375 1030313056 /nfs/dbraw/zinc/31/30/56/1030313056.db2.gz XOEVJJMMRVQJPK-INIZCTEOSA-N 0 1 315.348 3.686 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3c(Cl)ccnc32)cc1 ZINC000925315443 1030340444 /nfs/dbraw/zinc/34/04/44/1030340444.db2.gz XPVWALIVUSQXRF-HNNXBMFYSA-N 0 1 317.776 3.810 20 5 DHBDMN C[C@H](NCc1csc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000291784096 1030641042 /nfs/dbraw/zinc/64/10/42/1030641042.db2.gz VGKHWWWORCRLHN-XPTSAGLGSA-N 0 1 324.427 3.510 20 5 DHBDMN CC[C@H](NCc1cccc([N+](=O)[O-])c1C)c1cccc(OC)n1 ZINC000926267814 1030678025 /nfs/dbraw/zinc/67/80/25/1030678025.db2.gz ACXPPFRBZOUUFL-AWEZNQCLSA-N 0 1 315.373 3.548 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc2c1OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000926492805 1030764716 /nfs/dbraw/zinc/76/47/16/1030764716.db2.gz GEJBGLPZPOZUNK-RYUDHWBXSA-N 0 1 314.341 3.735 20 5 DHBDMN Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559107290 1031127853 /nfs/dbraw/zinc/12/78/53/1031127853.db2.gz IHGBIYQNFSGAFI-GOSISDBHSA-N 0 1 312.369 3.946 20 5 DHBDMN Cc1cc(CNC(C)(C)c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000292869789 1031226178 /nfs/dbraw/zinc/22/61/78/1031226178.db2.gz WGTSIBRBTBRZHM-UHFFFAOYSA-N 0 1 314.385 3.942 20 5 DHBDMN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(C)nc1 ZINC000872024687 1031408297 /nfs/dbraw/zinc/40/82/97/1031408297.db2.gz CSXSLSNVQAACOW-GFCCVEGCSA-N 0 1 317.414 3.871 20 5 DHBDMN CC[C@@H](COCC1CC1)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083480 1031478579 /nfs/dbraw/zinc/47/85/79/1031478579.db2.gz BMUTXYOIEAXVHE-AAEUAGOBSA-N 0 1 310.369 3.590 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC[C@H](OC3CCC3)CC2)cc1F ZINC000872280070 1031571221 /nfs/dbraw/zinc/57/12/21/1031571221.db2.gz JJCPCXKGCAZRQN-HNNXBMFYSA-N 0 1 322.380 3.658 20 5 DHBDMN COc1ccc(F)cc1CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC000873109408 1031712085 /nfs/dbraw/zinc/71/20/85/1031712085.db2.gz POUFSUAQNLZUGM-UHFFFAOYSA-N 0 1 318.348 3.649 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cc1F ZINC000873183864 1031744994 /nfs/dbraw/zinc/74/49/94/1031744994.db2.gz NZJKHECJPQQNQA-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN C[C@@H]([N@@H+](C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000877954161 1033528406 /nfs/dbraw/zinc/52/84/06/1033528406.db2.gz VFCHUKRKGSCFDK-LLVKDONJSA-N 0 1 318.377 3.511 20 5 DHBDMN C[C@@H](N(C)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C)(C)C ZINC000877954161 1033528414 /nfs/dbraw/zinc/52/84/14/1033528414.db2.gz VFCHUKRKGSCFDK-LLVKDONJSA-N 0 1 318.377 3.511 20 5 DHBDMN CC[C@](C)(NC/C=C/c1ccccc1[N+](=O)[O-])c1nccs1 ZINC000152610390 1033530398 /nfs/dbraw/zinc/53/03/98/1033530398.db2.gz JUKIUEDSRYFKFX-BVBGJJFLSA-N 0 1 317.414 3.980 20 5 DHBDMN CCOc1ccc([C@@H](C)N[C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000152618090 1033532194 /nfs/dbraw/zinc/53/21/94/1033532194.db2.gz LVWDRNFLDJFOAD-OLZOCXBDSA-N 0 1 315.373 3.800 20 5 DHBDMN CCN(CCOc1ccccc1C)Cc1ccccc1[N+](=O)[O-] ZINC000552875238 1033540016 /nfs/dbraw/zinc/54/00/16/1033540016.db2.gz JFDQJTFDSIAYET-UHFFFAOYSA-N 0 1 314.385 3.804 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000153478429 1033578775 /nfs/dbraw/zinc/57/87/75/1033578775.db2.gz XKGVKZHMLJIKDP-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCCC[C@H]2C)c1F ZINC001173187079 1033583067 /nfs/dbraw/zinc/58/30/67/1033583067.db2.gz WMFSSOCOHGGEHH-NEPJUHHUSA-N 0 1 310.369 3.548 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CN1CCC(C(F)(F)F)CC1 ZINC000183252856 1034366665 /nfs/dbraw/zinc/36/66/65/1034366665.db2.gz PCWJZPHGTUPHBB-UHFFFAOYSA-N 0 1 302.296 3.678 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cc(O)cc(F)c2)cc1[N+](=O)[O-] ZINC000185566289 1034557781 /nfs/dbraw/zinc/55/77/81/1034557781.db2.gz QQEYKZXUIQTJOE-NSHDSACASA-N 0 1 304.321 3.599 20 5 DHBDMN COc1ccc(CNCc2cc(C)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000555529555 1034786412 /nfs/dbraw/zinc/78/64/12/1034786412.db2.gz DFXMZXICENPAPM-UHFFFAOYSA-N 0 1 320.776 3.855 20 5 DHBDMN Cc1nc2ccc(F)cn2c1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175902725 1035156521 /nfs/dbraw/zinc/15/65/21/1035156521.db2.gz QSBIMIPCROMYDO-CMDGGOBGSA-N 0 1 312.304 3.773 20 5 DHBDMN CN(CCc1cccs1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000111323434 1035211725 /nfs/dbraw/zinc/21/17/25/1035211725.db2.gz QEDMNAXILFSMNZ-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN Cc1ccncc1CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001178773604 1035449172 /nfs/dbraw/zinc/44/91/72/1035449172.db2.gz AOJUPWKVGJIXQM-UHFFFAOYSA-N 0 1 323.352 3.848 20 5 DHBDMN Cc1ccc(CN2CC=C(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000122264846 1035770698 /nfs/dbraw/zinc/77/06/98/1035770698.db2.gz MSGZEPFUXGMDSM-UHFFFAOYSA-N 0 1 324.380 3.898 20 5 DHBDMN COc1ccc(CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(F)c1 ZINC000540157011 1035989551 /nfs/dbraw/zinc/98/95/51/1035989551.db2.gz UUVAUTOFJRBKDM-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CC(C)[C@@H]1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774639745 1036605227 /nfs/dbraw/zinc/60/52/27/1036605227.db2.gz XYWXLUFFPIVTMP-LLVKDONJSA-N 0 1 322.796 3.533 20 5 DHBDMN CC(C)N(CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000915207825 1036703814 /nfs/dbraw/zinc/70/38/14/1036703814.db2.gz GOTIHSAETUSSKK-UHFFFAOYSA-N 0 1 321.402 3.950 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001197719766 1036855519 /nfs/dbraw/zinc/85/55/19/1036855519.db2.gz LXDKBSSFOWBKSG-QAPCUYQASA-N 0 1 312.344 3.507 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000774878629 1037141488 /nfs/dbraw/zinc/14/14/88/1037141488.db2.gz VAEUGQAKTUKMPO-UHFFFAOYSA-N 0 1 319.361 3.659 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C=CCCC3)cs2)c1 ZINC000151138357 1037732315 /nfs/dbraw/zinc/73/23/15/1037732315.db2.gz WBJXIKIRAYBTSW-CYBMUJFWSA-N 0 1 315.398 3.917 20 5 DHBDMN CC[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1OC ZINC000763409035 1037824720 /nfs/dbraw/zinc/82/47/20/1037824720.db2.gz SDYICQYSFWJLIE-HNNXBMFYSA-N 0 1 316.357 3.550 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2cccc3c[nH]nc32)C2CC2)cc1 ZINC000154258633 1038121035 /nfs/dbraw/zinc/12/10/35/1038121035.db2.gz KAFHMFQEIHNHQY-UHFFFAOYSA-N 0 1 322.368 3.636 20 5 DHBDMN O=[N+]([O-])c1ccccc1CNCc1ccc(Br)cc1 ZINC000055412689 1038152333 /nfs/dbraw/zinc/15/23/33/1038152333.db2.gz SPLGMMAAWNDABW-UHFFFAOYSA-N 0 1 321.174 3.647 20 5 DHBDMN O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000589521543 1038500068 /nfs/dbraw/zinc/50/00/68/1038500068.db2.gz FKXZXJHDGVBWRJ-QAPCUYQASA-N 0 1 324.380 3.593 20 5 DHBDMN COc1ccc(CNC2(c3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000592140075 1039133749 /nfs/dbraw/zinc/13/37/49/1039133749.db2.gz YFYURRMZZPIOPB-UHFFFAOYSA-N 0 1 312.369 3.691 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000574128270 1039412288 /nfs/dbraw/zinc/41/22/88/1039412288.db2.gz PWORGKVDQPSZPP-QWRGUYRKSA-N 0 1 309.797 3.594 20 5 DHBDMN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000574128270 1039412300 /nfs/dbraw/zinc/41/23/00/1039412300.db2.gz PWORGKVDQPSZPP-QWRGUYRKSA-N 0 1 309.797 3.594 20 5 DHBDMN C[C@H](CNc1ccsc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000604432647 1039475466 /nfs/dbraw/zinc/47/54/66/1039475466.db2.gz JCXFFELDHRJCPT-GFCCVEGCSA-N 0 1 317.414 3.515 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000168201681 1039806048 /nfs/dbraw/zinc/80/60/48/1039806048.db2.gz UGYHMDUEBNWQJN-MNOVXSKESA-N 0 1 303.362 3.920 20 5 DHBDMN CC(C)[C@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000594970353 1039948762 /nfs/dbraw/zinc/94/87/62/1039948762.db2.gz ZAZJWCNQNFRBPM-KRWDZBQOSA-N 0 1 318.348 3.926 20 5 DHBDMN CC(C)[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000594970354 1039948848 /nfs/dbraw/zinc/94/88/48/1039948848.db2.gz ZAZJWCNQNFRBPM-QGZVFWFLSA-N 0 1 318.348 3.926 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1ccc(F)c(C)c1 ZINC000595002972 1040014257 /nfs/dbraw/zinc/01/42/57/1040014257.db2.gz AJVCWWFBAWXFNI-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCc2ccc(O)cc21 ZINC000595089891 1040075633 /nfs/dbraw/zinc/07/56/33/1040075633.db2.gz QDQUXGBUWZWIJU-KZULUSFZSA-N 0 1 312.369 3.947 20 5 DHBDMN CC[C@H](Cc1ccccc1)N(CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595345181 1040104447 /nfs/dbraw/zinc/10/44/47/1040104447.db2.gz PVSNSAXXIFCIIQ-OAHLLOKOSA-N 0 1 317.389 3.734 20 5 DHBDMN Cc1noc(CN2CCCC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000595324677 1040108003 /nfs/dbraw/zinc/10/80/03/1040108003.db2.gz FQWRNZRPOMJAOA-UHFFFAOYSA-N 0 1 307.394 3.828 20 5 DHBDMN CO[C@@H](CSCc1cc(O)ccc1[N+](=O)[O-])c1ccccc1 ZINC000593195757 1040485947 /nfs/dbraw/zinc/48/59/47/1040485947.db2.gz JFHGUINJIOHQRJ-INIZCTEOSA-N 0 1 319.382 3.921 20 5 DHBDMN CCC[C@@H](N[C@@H]1CCCn2nccc21)c1cccc([N+](=O)[O-])c1 ZINC000601321545 1040600836 /nfs/dbraw/zinc/60/08/36/1040600836.db2.gz SQGDNHJSIFUPTF-HZPDHXFCSA-N 0 1 314.389 3.757 20 5 DHBDMN O=[N+]([O-])c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)cs1 ZINC000075831507 1040827356 /nfs/dbraw/zinc/82/73/56/1040827356.db2.gz RQIOJKPXYJMVFL-AWEZNQCLSA-N 0 1 310.419 3.580 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000491230650 1040970529 /nfs/dbraw/zinc/97/05/29/1040970529.db2.gz YLYPFSOFYIWUFO-CYBMUJFWSA-N 0 1 318.323 3.863 20 5 DHBDMN CS[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602606057 1041124940 /nfs/dbraw/zinc/12/49/40/1041124940.db2.gz AJHBBEADNPYDSY-ZDUSSCGKSA-N 0 1 323.418 3.603 20 5 DHBDMN CCOc1cc(CN[C@H](C)c2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000602956919 1041326417 /nfs/dbraw/zinc/32/64/17/1041326417.db2.gz PKPJJPAFBWJJNE-SNVBAGLBSA-N 0 1 321.402 3.609 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(Cc2cc3cnccc3o2)C2CC2)c1 ZINC000593565158 1041329110 /nfs/dbraw/zinc/32/91/10/1041329110.db2.gz BITFZZWZDWPFNC-UHFFFAOYSA-N 0 1 323.352 3.901 20 5 DHBDMN CCC1(CO)CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000093592065 335001456 /nfs/dbraw/zinc/00/14/56/335001456.db2.gz QLPCPVDOMWVKGR-UHFFFAOYSA-N 0 1 320.433 3.703 20 5 DHBDMN CC[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000120078391 132139600 /nfs/dbraw/zinc/13/96/00/132139600.db2.gz DIONHOVAZSBDNF-HNNXBMFYSA-N 0 1 315.329 3.744 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000079723993 331683027 /nfs/dbraw/zinc/68/30/27/331683027.db2.gz LBVJMYWINLFQPS-RYUDHWBXSA-N 0 1 315.329 3.915 20 5 DHBDMN Cc1cc(F)ccc1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000488113931 333362628 /nfs/dbraw/zinc/36/26/28/333362628.db2.gz UUXSYSLCIUDOLJ-UHFFFAOYSA-N 0 1 302.349 3.983 20 5 DHBDMN COc1cc([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)ccc1F ZINC000323538971 333378828 /nfs/dbraw/zinc/37/88/28/333378828.db2.gz ZMONQYLPENDFIM-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C)CCSC ZINC000353832215 335155274 /nfs/dbraw/zinc/15/52/74/335155274.db2.gz XBAODHWOSMDTMX-GFCCVEGCSA-N 0 1 312.435 3.567 20 5 DHBDMN COCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000272507129 334036092 /nfs/dbraw/zinc/03/60/92/334036092.db2.gz FNSGLRONQMBHCW-CZUORRHYSA-N 0 1 318.373 3.925 20 5 DHBDMN CCOc1cc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000297402521 334241189 /nfs/dbraw/zinc/24/11/89/334241189.db2.gz KMRLIBFKGSPVLL-LBPRGKRZSA-N 0 1 316.357 3.550 20 5 DHBDMN CCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000534494049 334277619 /nfs/dbraw/zinc/27/76/19/334277619.db2.gz NNASXBHIOLOFJQ-UHFFFAOYSA-N 0 1 320.732 3.621 20 5 DHBDMN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cccc(F)c1 ZINC000187960371 334578101 /nfs/dbraw/zinc/57/81/01/334578101.db2.gz OTENKRLPEXIAOD-INIZCTEOSA-N 0 1 318.348 3.983 20 5 DHBDMN COc1cnccc1[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188780948 334872236 /nfs/dbraw/zinc/87/22/36/334872236.db2.gz JXTCHMQOFAONSC-OLZOCXBDSA-N 0 1 315.373 3.719 20 5 DHBDMN CC(=O)c1ccc(Nc2cc3cn[nH]c3cc2C)c([N+](=O)[O-])c1 ZINC000302653610 336363646 /nfs/dbraw/zinc/36/36/46/336363646.db2.gz CJWNNJXCSPTIEM-UHFFFAOYSA-N 0 1 310.313 3.726 20 5 DHBDMN CC(C)CC[C@H]1CCCCN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356772760 336560530 /nfs/dbraw/zinc/56/05/30/336560530.db2.gz NLWRQJLZUJXIFL-CQSZACIVSA-N 0 1 320.389 3.731 20 5 DHBDMN CSc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000357842175 336600956 /nfs/dbraw/zinc/60/09/56/336600956.db2.gz UFJNVQDRSMTVTE-LBPRGKRZSA-N 0 1 317.414 3.871 20 5 DHBDMN CSc1ccc(CNCc2cccc([N+](=O)[O-])c2C)s1 ZINC000583268982 337297692 /nfs/dbraw/zinc/29/76/92/337297692.db2.gz XMNROIOYXMSNTL-UHFFFAOYSA-N 0 1 308.428 3.976 20 5 DHBDMN C[C@@H](c1ccco1)N(CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000086233154 338013693 /nfs/dbraw/zinc/01/36/93/338013693.db2.gz SEQQIQNXOPASKU-ZDUSSCGKSA-N 0 1 316.357 3.792 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(C)c2ccccc2C1 ZINC000436102913 338258364 /nfs/dbraw/zinc/25/83/64/338258364.db2.gz RTUWQRBWXMNOKS-AWEZNQCLSA-N 0 1 311.385 3.608 20 5 DHBDMN Cc1ccncc1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453318376 338823847 /nfs/dbraw/zinc/82/38/47/338823847.db2.gz BKGJPAIOYLTJSF-QGZVFWFLSA-N 0 1 311.385 3.810 20 5 DHBDMN COc1cc(CN2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000463470909 339118999 /nfs/dbraw/zinc/11/89/99/339118999.db2.gz UEMSHJCDWYVCBR-WFASDCNBSA-N 0 1 322.380 3.897 20 5 DHBDMN CO[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1C ZINC000467386258 339236020 /nfs/dbraw/zinc/23/60/20/339236020.db2.gz UWHIITPQOGRUDO-DYVFJYSZSA-N 0 1 306.406 3.575 20 5 DHBDMN CCc1cnc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000468643469 339267771 /nfs/dbraw/zinc/26/77/71/339267771.db2.gz ZHAZOLCHPHMPKB-KPKJPENVSA-N 0 1 317.414 3.807 20 5 DHBDMN CC(C)C[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000468948232 339275566 /nfs/dbraw/zinc/27/55/66/339275566.db2.gz LHOBGNLBOOJTKH-ZDUSSCGKSA-N 0 1 317.389 3.994 20 5 DHBDMN Cc1cc(Sc2nc3ccc(Cl)cc3[nH]2)ncc1[N+](=O)[O-] ZINC000470873034 339329929 /nfs/dbraw/zinc/32/99/29/339329929.db2.gz LYFMADMDFDQNBT-UHFFFAOYSA-N 0 1 320.761 3.979 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000470949218 339332337 /nfs/dbraw/zinc/33/23/37/339332337.db2.gz WBPZSNDJOSTFHS-NRUUGDAUSA-N 0 1 302.296 3.929 20 5 DHBDMN COc1ccsc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000478489500 339516430 /nfs/dbraw/zinc/51/64/30/339516430.db2.gz NCQSMRYIIUKJNJ-LLVKDONJSA-N 0 1 306.387 3.824 20 5 DHBDMN Cc1c(CN[C@@H](c2ccc(F)cn2)C(C)C)cccc1[N+](=O)[O-] ZINC000478505375 339516826 /nfs/dbraw/zinc/51/68/26/339516826.db2.gz GDWLXEOEOIHHEH-QGZVFWFLSA-N 0 1 317.364 3.924 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2ccc(CN3CCSCC3)s2)cc1 ZINC000506343681 340192880 /nfs/dbraw/zinc/19/28/80/340192880.db2.gz WRVFHEWEAZSHTK-UHFFFAOYSA-N 0 1 320.439 3.872 20 5 DHBDMN C[C@H]1Cc2ccc(F)cc2[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000540191618 340922596 /nfs/dbraw/zinc/92/25/96/340922596.db2.gz RNSLNBJXEHEYGW-GTNSWQLSSA-N 0 1 300.333 3.757 20 5 DHBDMN CC(C)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000543858025 341061763 /nfs/dbraw/zinc/06/17/63/341061763.db2.gz LGUNELWFCSVZRQ-UHFFFAOYSA-N 0 1 320.370 3.519 20 5 DHBDMN CCN(Cc1cccs1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076458573 341207802 /nfs/dbraw/zinc/20/78/02/341207802.db2.gz UQEPZEAYCLWRNX-UHFFFAOYSA-N 0 1 306.387 3.687 20 5 DHBDMN C[C@@H]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000245930589 341318685 /nfs/dbraw/zinc/31/86/85/341318685.db2.gz PEJYWBCYMGZTIS-CHWSQXEVSA-N 0 1 315.373 3.728 20 5 DHBDMN COc1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])ccc1C ZINC000266460874 522474750 /nfs/dbraw/zinc/47/47/50/522474750.db2.gz LYIUUPLRMXKYCD-ZDUSSCGKSA-N 0 1 300.358 3.763 20 5 DHBDMN C[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000124289603 524122363 /nfs/dbraw/zinc/12/23/63/524122363.db2.gz CMTQVPUHGJHWAY-NSHDSACASA-N 0 1 303.387 3.703 20 5 DHBDMN C[C@@H](NCc1cnc2ccccc2c1)c1ccccc1[N+](=O)[O-] ZINC000337196078 525551435 /nfs/dbraw/zinc/55/14/35/525551435.db2.gz XDIZFBPGUJLMDH-CYBMUJFWSA-N 0 1 307.353 3.994 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCc2c1cccc2O ZINC000130436028 526089239 /nfs/dbraw/zinc/08/92/39/526089239.db2.gz AGULOJPKLMVQON-SJCJKPOMSA-N 0 1 312.369 3.947 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H]1c1cnn(C)c1 ZINC000182745005 526089997 /nfs/dbraw/zinc/08/99/97/526089997.db2.gz XPAQCXRGYUEYEQ-CXAGYDPISA-N 0 1 314.389 3.535 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(F)(F)F)CC1 ZINC000075997621 1017358254 /nfs/dbraw/zinc/35/82/54/1017358254.db2.gz OPJAOLUGPFUDPY-JTQLQIEISA-N 0 1 302.296 3.930 20 5 DHBDMN COc1cc([C@H](C)NCc2ccccc2[N+](=O)[O-])ccc1F ZINC000092825379 1014092487 /nfs/dbraw/zinc/09/24/87/1014092487.db2.gz GJQUUGNBTFUNBM-NSHDSACASA-N 0 1 304.321 3.593 20 5 DHBDMN CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001594930915 982557379 /nfs/dbraw/zinc/55/73/79/982557379.db2.gz BXPJDCPYUCNLAJ-IUODEOHRSA-N 0 1 320.389 3.694 20 5 DHBDMN Cc1ccc([C@H](C)NCc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000610517922 1015094340 /nfs/dbraw/zinc/09/43/40/1015094340.db2.gz NVVCNISHSSFRIZ-ZDUSSCGKSA-N 0 1 316.405 3.706 20 5 DHBDMN O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H](c2nccs2)C1 ZINC000895583627 1015212029 /nfs/dbraw/zinc/21/20/29/1015212029.db2.gz MISGIMWXPGNWIP-LYKUJDHUSA-N 0 1 315.398 3.554 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCCCO3)CC2)cc1Cl ZINC000895653690 1015242314 /nfs/dbraw/zinc/24/23/14/1015242314.db2.gz LVJKUVMNTAHRNS-UHFFFAOYSA-N 0 1 324.808 3.783 20 5 DHBDMN Cc1c([C@@H](C)NCc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000178247893 1015514232 /nfs/dbraw/zinc/51/42/32/1015514232.db2.gz GJNRQDPXOIJJOQ-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1cnc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000277314199 1016189043 /nfs/dbraw/zinc/18/90/43/1016189043.db2.gz BSRAIHXCUOLZDH-UHFFFAOYSA-N 0 1 317.414 3.739 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCOc1ccccc1 ZINC000072555593 1016556274 /nfs/dbraw/zinc/55/62/74/1016556274.db2.gz AFGSOGQXSDONKJ-AWEZNQCLSA-N 0 1 300.358 3.667 20 5 DHBDMN CSCC1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000896936717 1016942031 /nfs/dbraw/zinc/94/20/31/1016942031.db2.gz BYSZVOGODLTDDM-XQRVVYSFSA-N 0 1 306.431 3.683 20 5 DHBDMN CSCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000896936716 1016943230 /nfs/dbraw/zinc/94/32/30/1016943230.db2.gz BYSZVOGODLTDDM-GQCTYLIASA-N 0 1 306.431 3.683 20 5 DHBDMN C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001125286878 1012269605 /nfs/dbraw/zinc/26/96/05/1012269605.db2.gz AODNFTWLGTUBMF-JBBXEZCESA-N 0 1 324.380 3.557 20 5 DHBDMN O=[N+]([O-])c1cccc(CNC2(c3ccc(F)cc3)CCC2)c1 ZINC000608837279 1012338257 /nfs/dbraw/zinc/33/82/57/1012338257.db2.gz YEBZTYJOIBFLIV-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559108120 1012437343 /nfs/dbraw/zinc/43/73/43/1012437343.db2.gz ZZAHGIVMOFXEIA-CXAGYDPISA-N 0 1 312.369 3.678 20 5 DHBDMN COc1cc(CN2CCCC3(CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000445865041 1017997901 /nfs/dbraw/zinc/99/79/01/1017997901.db2.gz CIOHFUNBCCGVSM-UHFFFAOYSA-N 0 1 322.380 3.899 20 5 DHBDMN CCC1(CC)CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446713606 1018210192 /nfs/dbraw/zinc/21/01/92/1018210192.db2.gz YFPZPXDTNWLDHM-UHFFFAOYSA-N 0 1 303.362 3.748 20 5 DHBDMN CCC[C@H](NCc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000174025830 1018382554 /nfs/dbraw/zinc/38/25/54/1018382554.db2.gz NQOATPFZIPBDPS-INIZCTEOSA-N 0 1 303.362 3.831 20 5 DHBDMN CC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccc(OC)n1 ZINC000926492864 1018457398 /nfs/dbraw/zinc/45/73/98/1018457398.db2.gz HLHVBEYILRMPEU-SWLSCSKDSA-N 0 1 315.373 3.800 20 5 DHBDMN Cc1c(CN[C@@]2(C)CCOc3ccccc32)cccc1[N+](=O)[O-] ZINC000923024981 1018989447 /nfs/dbraw/zinc/98/94/47/1018989447.db2.gz LUVWKTABPLZCAB-SFHVURJKSA-N 0 1 312.369 3.691 20 5 DHBDMN Cc1ccc(CN[C@@]2(C)CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000923026618 1018991585 /nfs/dbraw/zinc/99/15/85/1018991585.db2.gz VQJIVKWWEVSZET-SFHVURJKSA-N 0 1 312.369 3.691 20 5 DHBDMN Cc1cnc(C(C)(C)NC/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000255291292 1019371259 /nfs/dbraw/zinc/37/12/59/1019371259.db2.gz WPXCYBUOFROOKZ-VURMDHGXSA-N 0 1 317.414 3.898 20 5 DHBDMN COc1cc(CN2C3CCCC2CCC3)c([N+](=O)[O-])cc1OC ZINC000611274154 1019431786 /nfs/dbraw/zinc/43/17/86/1019431786.db2.gz YNMXQJVTPJVDDU-UHFFFAOYSA-N 0 1 320.389 3.519 20 5 DHBDMN O=[N+]([O-])c1ccc(CN[C@H]2CCCc3sccc32)c(F)c1 ZINC000314691968 1019746451 /nfs/dbraw/zinc/74/64/51/1019746451.db2.gz BLTIELJCZPQEFJ-AWEZNQCLSA-N 0 1 306.362 3.963 20 5 DHBDMN Cc1csc([C@H](C)NC/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000727837083 1019817408 /nfs/dbraw/zinc/81/74/08/1019817408.db2.gz IIYPLCOSLPSCBU-HWPRWLFBSA-N 0 1 303.387 3.724 20 5 DHBDMN Cc1ccnc(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c1 ZINC000327953291 1020081236 /nfs/dbraw/zinc/08/12/36/1020081236.db2.gz ANNILSRDQMZATH-UHFFFAOYSA-N 0 1 308.341 3.767 20 5 DHBDMN COCc1ccc(CNCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892501845 1020600984 /nfs/dbraw/zinc/60/09/84/1020600984.db2.gz FVKMRKZQSVUNBP-UHFFFAOYSA-N 0 1 320.776 3.684 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](c3ccco3)C2)c1 ZINC000735493846 1020743309 /nfs/dbraw/zinc/74/33/09/1020743309.db2.gz RNQUILNTESNGAC-LLVKDONJSA-N 0 1 306.749 3.831 20 5 DHBDMN Cc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1C ZINC000414175028 1020963691 /nfs/dbraw/zinc/96/36/91/1020963691.db2.gz YTLVCAFIFVDAEZ-SFHVURJKSA-N 0 1 311.385 3.774 20 5 DHBDMN Cc1nc2c(n1Cc1c(Cl)cccc1[N+](=O)[O-])CCCC2 ZINC000130513003 1021232944 /nfs/dbraw/zinc/23/29/44/1021232944.db2.gz DENBNMMNTRZIOC-UHFFFAOYSA-N 0 1 305.765 3.680 20 5 DHBDMN CC[C@H](NCc1ccc(C)c([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000926798220 1021292759 /nfs/dbraw/zinc/29/27/59/1021292759.db2.gz XSOWLNRVGCFMLJ-AWEZNQCLSA-N 0 1 315.373 3.548 20 5 DHBDMN CC[C@@H](COCC1CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000850350858 1021483187 /nfs/dbraw/zinc/48/31/87/1021483187.db2.gz VKUAHTGXJQVHCQ-ZDUSSCGKSA-N 0 1 312.797 3.543 20 5 DHBDMN CSC[C@H]1CCCN1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154728895 1021522230 /nfs/dbraw/zinc/52/22/30/1021522230.db2.gz AVSCHGWBJOARES-LLVKDONJSA-N 0 1 300.811 3.576 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)c(CNCCOC2CCCCC2)c1 ZINC000070168413 1021577187 /nfs/dbraw/zinc/57/71/87/1021577187.db2.gz ILCOZCOCUZYXKU-UHFFFAOYSA-N 0 1 312.797 3.687 20 5 DHBDMN CC[C@@H](NCc1csc([N+](=O)[O-])c1)c1ccc(OC)cc1 ZINC000037562949 1021839999 /nfs/dbraw/zinc/83/99/99/1021839999.db2.gz UBMJLSQFTBKHCR-CQSZACIVSA-N 0 1 306.387 3.906 20 5 DHBDMN Cc1noc(CN2CCC[C@H](c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000851749458 1021989720 /nfs/dbraw/zinc/98/97/20/1021989720.db2.gz ZFMSYSHKYXQXNF-HNNXBMFYSA-N 0 1 315.373 3.661 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](Cc3cccc(F)n3)C2)cc1 ZINC000852135286 1022078310 /nfs/dbraw/zinc/07/83/10/1022078310.db2.gz MLYPTVDCGGOQOT-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN O=[N+]([O-])c1ccc([C@@H]2CCCN(Cc3cccc(F)n3)C2)cc1 ZINC000852135286 1022078321 /nfs/dbraw/zinc/07/83/21/1022078321.db2.gz MLYPTVDCGGOQOT-CQSZACIVSA-N 0 1 315.348 3.509 20 5 DHBDMN CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271460598 1022081575 /nfs/dbraw/zinc/08/15/75/1022081575.db2.gz JYMLNUBBULGUSJ-DLBZAZTESA-N 0 1 318.348 3.508 20 5 DHBDMN O=[N+]([O-])c1ccccc1CN1CCS[C@H](c2ccccc2)C1 ZINC000609800544 1022352716 /nfs/dbraw/zinc/35/27/16/1022352716.db2.gz MTIHKGXUQDOXCR-KRWDZBQOSA-N 0 1 314.410 3.885 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CCc3c(Cl)cccc3C2)cc1 ZINC000610079928 1022416735 /nfs/dbraw/zinc/41/67/35/1022416735.db2.gz CGGUQQFCQMFAAA-UHFFFAOYSA-N 0 1 316.788 3.849 20 5 DHBDMN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c(O)cccc1Cl ZINC000769603827 1023186217 /nfs/dbraw/zinc/18/62/17/1023186217.db2.gz YRPCZGIRKBDYOP-UHFFFAOYSA-N 0 1 320.732 3.823 20 5 DHBDMN O=[N+]([O-])c1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542938 1033163495 /nfs/dbraw/zinc/16/34/95/1033163495.db2.gz RFMJQBWTXBIZDR-OLZOCXBDSA-N 0 1 312.822 3.718 20 5 DHBDMN CC[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1c(C)noc1C ZINC000788684774 1023919095 /nfs/dbraw/zinc/91/90/95/1023919095.db2.gz FADHEDMVPPTXNS-YMTOWFKASA-N 0 1 318.377 3.584 20 5 DHBDMN Cc1c(CN[C@H](C)c2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000789519146 1024106982 /nfs/dbraw/zinc/10/69/82/1024106982.db2.gz WVHJAJJBYTWATO-LLVKDONJSA-N 0 1 305.765 3.802 20 5 DHBDMN Cc1c(CN[C@@H]2CCOc3ccc(F)cc32)cccc1[N+](=O)[O-] ZINC000790696502 1024357008 /nfs/dbraw/zinc/35/70/08/1024357008.db2.gz SWEOGWPKADRBCS-OAHLLOKOSA-N 0 1 316.332 3.656 20 5 DHBDMN CO[C@H](c1ccc(F)cc1)[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000271568233 1024541610 /nfs/dbraw/zinc/54/16/10/1024541610.db2.gz WTEDTKPQYZVVDM-BONVTDFDSA-N 0 1 324.377 3.661 20 5 DHBDMN COc1ccc(C[C@H](C)N2CCCC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC001170336315 1024745260 /nfs/dbraw/zinc/74/52/60/1024745260.db2.gz WGJFXUKGLQQJSZ-SUMWQHHRSA-N 0 1 324.396 3.749 20 5 DHBDMN Cc1nc2c(s1)[C@@H](N(C)Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000111310756 1024752873 /nfs/dbraw/zinc/75/28/73/1024752873.db2.gz GZNWEQZSGXLGFD-HNNXBMFYSA-N 0 1 317.414 3.869 20 5 DHBDMN C[C@H](Sc1nc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000028856353 1025274355 /nfs/dbraw/zinc/27/43/55/1025274355.db2.gz MUVWLHRLFAFAKX-VIFPVBQESA-N 0 1 306.391 3.864 20 5 DHBDMN C[C@@H](CNCc1nc(C(C)(C)C)co1)c1ccccc1[N+](=O)[O-] ZINC000897460406 1025362461 /nfs/dbraw/zinc/36/24/61/1025362461.db2.gz RVJQHULMKWUOLN-LBPRGKRZSA-N 0 1 317.389 3.774 20 5 DHBDMN C[C@H](CNCc1nc(C(C)(C)C)co1)c1ccccc1[N+](=O)[O-] ZINC000897460405 1025362929 /nfs/dbraw/zinc/36/29/29/1025362929.db2.gz RVJQHULMKWUOLN-GFCCVEGCSA-N 0 1 317.389 3.774 20 5 DHBDMN O=[N+]([O-])c1cccc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000084137384 1025993726 /nfs/dbraw/zinc/99/37/26/1025993726.db2.gz HYBORWJJPWKRGD-UHFFFAOYSA-N 0 1 302.296 3.759 20 5 DHBDMN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(OC2CCC2)CC1 ZINC000419281393 1026087298 /nfs/dbraw/zinc/08/72/98/1026087298.db2.gz GRABMIKQXUNRNT-CYBMUJFWSA-N 0 1 304.390 3.689 20 5 DHBDMN COc1cc(F)cc(CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000090972072 1026090307 /nfs/dbraw/zinc/09/03/07/1026090307.db2.gz IVZUVGLUOZQDIQ-GFCCVEGCSA-N 0 1 318.348 3.902 20 5 DHBDMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000289853372 1026201303 /nfs/dbraw/zinc/20/13/03/1026201303.db2.gz QKURNTJARZUOOC-KCXAZCMYSA-N 0 1 304.390 3.545 20 5 DHBDMN CC(C)(NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000283999500 1026498471 /nfs/dbraw/zinc/49/84/71/1026498471.db2.gz GQMUDYZFPNAEIC-UHFFFAOYSA-N 0 1 315.329 3.528 20 5 DHBDMN C[C@@H](NCc1ccccc1OC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932178565 1027397359 /nfs/dbraw/zinc/39/73/59/1027397359.db2.gz QDRNZHUXJVOWTD-CYBMUJFWSA-N 0 1 312.369 3.987 20 5 DHBDMN COc1ccc([C@H](C)NCc2cc(F)ccc2[N+](=O)[O-])cc1C ZINC000932577078 1027552114 /nfs/dbraw/zinc/55/21/14/1027552114.db2.gz ZNYFFFPAJRMQRQ-LBPRGKRZSA-N 0 1 318.348 3.902 20 5 DHBDMN CC[C@@H](CSC)N(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000576606589 1027637518 /nfs/dbraw/zinc/63/75/18/1027637518.db2.gz NGXYUUXLIZQWHF-LBPRGKRZSA-N 0 1 302.827 3.822 20 5 DHBDMN COc1ccc2c(c1)CC[C@H]2N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000601272512 1028051692 /nfs/dbraw/zinc/05/16/92/1028051692.db2.gz GGQNFXYTGGXPMG-SJKOYZFVSA-N 0 1 312.369 3.942 20 5 DHBDMN CC(C)c1nc(CNCc2ccccc2[N+](=O)[O-])c2ccccn21 ZINC000563891760 1028229486 /nfs/dbraw/zinc/22/94/86/1028229486.db2.gz MOGVLHMKOIJNMH-UHFFFAOYSA-N 0 1 324.384 3.656 20 5 DHBDMN COC1(CCN(C)Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000815063889 1028346872 /nfs/dbraw/zinc/34/68/72/1028346872.db2.gz SVAKHEHMRGQSKS-UHFFFAOYSA-N 0 1 312.797 3.639 20 5 DHBDMN C[C@@H]1C[C@H](C(F)(F)F)CCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000449462330 1028682572 /nfs/dbraw/zinc/68/25/72/1028682572.db2.gz SJRMCMZTDZXNSP-ZYHUDNBSSA-N 0 1 302.296 3.758 20 5 DHBDMN Cc1ccc2c(c1C)OC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566475852 1028729877 /nfs/dbraw/zinc/72/98/77/1028729877.db2.gz QNKHBKGULAVJPL-IRXDYDNUSA-N 0 1 324.380 3.922 20 5 DHBDMN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ncc(C)s1 ZINC000530326772 1029817886 /nfs/dbraw/zinc/81/78/86/1029817886.db2.gz MVZUOXWXEGJFNR-IZZDOVSWSA-N 0 1 303.387 3.553 20 5 DHBDMN CC[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(OC)n1 ZINC000924796324 1030189562 /nfs/dbraw/zinc/18/95/62/1030189562.db2.gz BKOKBMXOFCDLEG-DOMZBBRYSA-N 0 1 315.373 3.800 20 5 DHBDMN C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccnn1C1CCC1 ZINC000924796938 1030191216 /nfs/dbraw/zinc/19/12/16/1030191216.db2.gz DQXPWKJSIDPGAN-STQMWFEESA-N 0 1 314.389 3.928 20 5 DHBDMN C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(O)cc(F)c1 ZINC000924796899 1030191400 /nfs/dbraw/zinc/19/14/00/1030191400.db2.gz DOUVFBWOWHBCPA-WDEREUQCSA-N 0 1 304.321 3.851 20 5 DHBDMN CCN(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC(C)(C)C ZINC000291199273 1030391701 /nfs/dbraw/zinc/39/17/01/1030391701.db2.gz JPNZWUHQEQHKFX-UHFFFAOYSA-N 0 1 318.377 3.513 20 5 DHBDMN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC1CC(F)(F)C1 ZINC000291592351 1030563518 /nfs/dbraw/zinc/56/35/18/1030563518.db2.gz PWZJFOUSIUHNQG-UHFFFAOYSA-N 0 1 311.115 3.789 20 5 DHBDMN Cc1c(CN2C[C@H](C)C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000358824924 1030639556 /nfs/dbraw/zinc/63/95/56/1030639556.db2.gz NXZZQYULPRKJTD-ACJLOTCBSA-N 0 1 311.385 3.881 20 5 DHBDMN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCCCC2)c1 ZINC000559031733 1031041029 /nfs/dbraw/zinc/04/10/29/1031041029.db2.gz FIKIZRAHUZWEMV-UHFFFAOYSA-N 0 1 302.296 3.990 20 5 DHBDMN CCc1cnc(CCN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000872037526 1031422273 /nfs/dbraw/zinc/42/22/73/1031422273.db2.gz CYCNSCKMIUNKJU-JTQLQIEISA-N 0 1 323.393 3.646 20 5 DHBDMN C[C@H](NCCc1ccc(Cl)nc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044695 1031430469 /nfs/dbraw/zinc/43/04/69/1031430469.db2.gz VORYHOMOOIPDIX-JTQLQIEISA-N 0 1 323.755 3.676 20 5 DHBDMN C[C@H](NC[C@H]1C(C)(C)C1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088474 1031484972 /nfs/dbraw/zinc/48/49/72/1031484972.db2.gz OYGBMTGQMFYCBB-KWQFWETISA-N 0 1 302.296 3.676 20 5 DHBDMN C[C@H](NC1([C@@H]2CCCCO2)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872093210 1031490955 /nfs/dbraw/zinc/49/09/55/1031490955.db2.gz HGWVBGYHZAIGDJ-WFASDCNBSA-N 0 1 322.380 3.876 20 5 DHBDMN O=[N+]([O-])c1cccc(CN2CCC[C@]3(C2)OCc2ccccc23)c1 ZINC000360663226 1031512730 /nfs/dbraw/zinc/51/27/30/1031512730.db2.gz JINVAMBSXNKMAP-LJQANCHMSA-N 0 1 324.380 3.616 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](OC2CCC2)CC1 ZINC000872278116 1031570279 /nfs/dbraw/zinc/57/02/79/1031570279.db2.gz GYIRMDNQMFRHMN-AWEZNQCLSA-N 0 1 322.380 3.658 20 5 DHBDMN Cc1ccc([N+](=O)[O-])c(C)c1CNc1ccc2c(c1)CN(C)C2 ZINC000873082838 1031706536 /nfs/dbraw/zinc/70/65/36/1031706536.db2.gz QEIQZFACOKJPQZ-UHFFFAOYSA-N 0 1 311.385 3.769 20 5 DHBDMN Cc1c(CNCc2cnccc2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000873131240 1031720366 /nfs/dbraw/zinc/72/03/66/1031720366.db2.gz PUWZOXUVXPFKSB-UHFFFAOYSA-N 0 1 313.401 3.886 20 5 DHBDMN O=[N+]([O-])c1cc(-c2nc3ccc(Br)cc3[nH]2)cs1 ZINC000533909552 1031740470 /nfs/dbraw/zinc/74/04/70/1031740470.db2.gz YNDCVMWDBLOLKB-UHFFFAOYSA-N 0 1 324.159 3.962 20 5 DHBDMN Cc1ncc([C@H](C)NCc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000877685391 1033413432 /nfs/dbraw/zinc/41/34/32/1033413432.db2.gz XGSBVAJVOBLMAQ-QMMMGPOBSA-N 0 1 311.794 3.864 20 5 DHBDMN CC(C)n1cc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410379 1033506423 /nfs/dbraw/zinc/50/64/23/1033506423.db2.gz ZJVYZFXOIMDEBK-STQMWFEESA-N 0 1 302.378 3.784 20 5 DHBDMN CC(C)n1cc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173410403 1033507058 /nfs/dbraw/zinc/50/70/58/1033507058.db2.gz ZJVYZFXOIMDEBK-OLZOCXBDSA-N 0 1 302.378 3.784 20 5 DHBDMN CC[C@@H](C)C[N@@H+](CC)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878164309 1033603085 /nfs/dbraw/zinc/60/30/85/1033603085.db2.gz IWOXXPRGTPZVFK-GFCCVEGCSA-N 0 1 318.377 3.513 20 5 DHBDMN O=[N+]([O-])c1cccc(F)c1CN[C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879669657 1034081520 /nfs/dbraw/zinc/08/15/20/1034081520.db2.gz UFULDDQJWWIBQU-ZYHUDNBSSA-N 0 1 318.270 3.721 20 5 DHBDMN Cc1ccc(CN(C)Cc2cccc(N(C)C)c2)cc1[N+](=O)[O-] ZINC000539825263 1035867688 /nfs/dbraw/zinc/86/76/88/1035867688.db2.gz MTLGLDWINYKWMH-UHFFFAOYSA-N 0 1 313.401 3.601 20 5 DHBDMN CC(C)c1ccc(CN(C)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000539861681 1035908433 /nfs/dbraw/zinc/90/84/33/1035908433.db2.gz YESUTQOPJWBWBY-UHFFFAOYSA-N 0 1 306.406 3.577 20 5 DHBDMN CC(C)CCOC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193110186 1036152014 /nfs/dbraw/zinc/15/20/14/1036152014.db2.gz FFDQYDGUGZHJEL-UHFFFAOYSA-N 0 1 306.406 3.622 20 5 DHBDMN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](C(C)(C)C)CC1 ZINC001198800930 1037138851 /nfs/dbraw/zinc/13/88/51/1037138851.db2.gz NNWMITOICIVDKM-BBRMVZONSA-N 0 1 306.406 3.793 20 5 DHBDMN COc1ccc(CN(C)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000489742740 1037528524 /nfs/dbraw/zinc/52/85/24/1037528524.db2.gz OBQXQFDUJFTQOL-UHFFFAOYSA-N 0 1 320.776 3.889 20 5 DHBDMN C[C@H](CN(C)Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000491181841 1037924891 /nfs/dbraw/zinc/92/48/91/1037924891.db2.gz GUBKOXJQZFMANP-CYBMUJFWSA-N 0 1 302.349 3.969 20 5 DHBDMN CCC[N@@H+](C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001190562126 1038342505 /nfs/dbraw/zinc/34/25/05/1038342505.db2.gz ZLCWDSBCNUTLON-ZDUSSCGKSA-N 0 1 324.421 3.870 20 5 DHBDMN CCCN(C)Cc1cc(OC)c(OC[C@@H](C)CC)cc1[N+](=O)[O-] ZINC001190562126 1038342519 /nfs/dbraw/zinc/34/25/19/1038342519.db2.gz ZLCWDSBCNUTLON-ZDUSSCGKSA-N 0 1 324.421 3.870 20 5 DHBDMN CCn1cc(CN(Cc2ccc([N+](=O)[O-])cc2C)C(C)C)cn1 ZINC000593676442 1039043731 /nfs/dbraw/zinc/04/37/31/1039043731.db2.gz IUKKVGMEIFFXCQ-UHFFFAOYSA-N 0 1 316.405 3.530 20 5 DHBDMN O=[N+]([O-])c1ccc(-c2nc(CN3CCC34CCCC4)co2)cc1 ZINC000593037824 1039366205 /nfs/dbraw/zinc/36/62/05/1039366205.db2.gz CLEUNLFZVKNEPI-UHFFFAOYSA-N 0 1 313.357 3.768 20 5 DHBDMN Cc1noc(C)c1[C@H](C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594495001 1039796941 /nfs/dbraw/zinc/79/69/41/1039796941.db2.gz JYQAXCUTEKTAKI-LKFCYVNXSA-N 0 1 301.346 3.538 20 5 DHBDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccccc1C ZINC000595004030 1040013885 /nfs/dbraw/zinc/01/38/85/1040013885.db2.gz MOXNIFFPXQOQTH-CYBMUJFWSA-N 0 1 300.358 3.763 20 5 DHBDMN Cc1c([C@H](C)N[C@H](c2ccccc2)[C@H](C)O)cccc1[N+](=O)[O-] ZINC000595103656 1040066139 /nfs/dbraw/zinc/06/61/39/1040066139.db2.gz NOQCJGKNEIUWGZ-DEYYWGMASA-N 0 1 314.385 3.676 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCc2ccc(O)cc21 ZINC000595089892 1040074930 /nfs/dbraw/zinc/07/49/30/1040074930.db2.gz QDQUXGBUWZWIJU-SGTLLEGYSA-N 0 1 312.369 3.947 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CCc2ccc(O)cc21 ZINC000595084411 1040075592 /nfs/dbraw/zinc/07/55/92/1040075592.db2.gz FOTYKXAFXLLELM-DLBZAZTESA-N 0 1 310.353 3.565 20 5 DHBDMN CCC1CCC(N(Cc2onc(C)c2[N+](=O)[O-])C2CC2)CC1 ZINC000595295540 1040092969 /nfs/dbraw/zinc/09/29/69/1040092969.db2.gz GWTNSEWBOCOYMM-UHFFFAOYSA-N 0 1 307.394 3.824 20 5 DHBDMN O=[N+]([O-])c1cc(F)ccc1CN1CCC([C@H]2CCCCO2)CC1 ZINC000595782950 1040252068 /nfs/dbraw/zinc/25/20/68/1040252068.db2.gz KNHITMWWDUPXRI-QGZVFWFLSA-N 0 1 322.380 3.515 20 5 DHBDMN Cc1noc(CN2CCC[C@@H](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000595882208 1040271444 /nfs/dbraw/zinc/27/14/44/1040271444.db2.gz ZIPYGVWBUGAABM-CQSZACIVSA-N 0 1 307.394 3.684 20 5 DHBDMN O=[N+]([O-])c1ccc(CCN2CCc3ccc(Cl)cc3C2)cc1 ZINC000534179129 1040738255 /nfs/dbraw/zinc/73/82/55/1040738255.db2.gz PVFIKVVDDWMQQF-UHFFFAOYSA-N 0 1 316.788 3.849 20 5 DHBDMN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1C2CCC1CC2 ZINC000602437128 1041033122 /nfs/dbraw/zinc/03/31/22/1041033122.db2.gz UZCFSLRKGRVOFX-UHFFFAOYSA-N 0 1 300.280 3.740 20 5 DHBDMN O=[N+]([O-])c1ccc(CN(Cc2cc3cnccc3o2)C2CC2)cc1 ZINC000593567564 1041343188 /nfs/dbraw/zinc/34/31/88/1041343188.db2.gz SIUUOLYMBDMIIZ-UHFFFAOYSA-N 0 1 323.352 3.901 20 5 DHBDMN O=[N+]([O-])c1ccc(CNC2(c3ccccc3)CCC2)cc1F ZINC000283130846 130962310 /nfs/dbraw/zinc/96/23/10/130962310.db2.gz NLFYNJWQHNOJHL-UHFFFAOYSA-N 0 1 300.333 3.903 20 5 DHBDMN O=[N+]([O-])c1ccc(CN2CCC3(CCOCC3)CC2)c(Cl)c1 ZINC000284008287 131041013 /nfs/dbraw/zinc/04/10/13/131041013.db2.gz DWMDGKFQZKYQQX-UHFFFAOYSA-N 0 1 324.808 3.641 20 5 DHBDMN Cc1noc(C)c1C(C)(C)NCc1cccc([N+](=O)[O-])c1C ZINC000285526538 131178069 /nfs/dbraw/zinc/17/80/69/131178069.db2.gz FEUQHQRFALSYTJ-UHFFFAOYSA-N 0 1 303.362 3.533 20 5 DHBDMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC=C(c2cccnc2)C1 ZINC000289270986 131369998 /nfs/dbraw/zinc/36/99/98/131369998.db2.gz FCLGLZJVALHXAN-AWEZNQCLSA-N 0 1 309.369 3.840 20 5 DHBDMN Cc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1Cl ZINC000427922089 332564120 /nfs/dbraw/zinc/56/41/20/332564120.db2.gz IFDBXGMZVMZSGI-UHFFFAOYSA-N 0 1 306.705 3.515 20 5 DHBDMN COC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000537985172 333171291 /nfs/dbraw/zinc/17/12/91/333171291.db2.gz VKKKRORJFRBCAI-SJCJKPOMSA-N 0 1 318.348 3.772 20 5 DHBDMN CC(C)([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000571420818 333788225 /nfs/dbraw/zinc/78/82/25/333788225.db2.gz AKEMZTHAMKBTLI-UHFFFAOYSA-N 0 1 320.776 3.979 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414539256 334012943 /nfs/dbraw/zinc/01/29/43/334012943.db2.gz MXDAWEBUQGBBNT-KRWDZBQOSA-N 0 1 318.417 3.540 20 5 DHBDMN C[C@H](NCc1ccccc1OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000296273516 334231099 /nfs/dbraw/zinc/23/10/99/334231099.db2.gz KLGLPBXIAMMCFI-ZDUSSCGKSA-N 0 1 312.369 3.987 20 5 DHBDMN O=[N+]([O-])c1cccc2c1CCN(CCSc1ccccc1)C2 ZINC000534512106 334278088 /nfs/dbraw/zinc/27/80/88/334278088.db2.gz NIHPFONIYBADEB-UHFFFAOYSA-N 0 1 314.410 3.745 20 5 DHBDMN CN(C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000341740695 334475571 /nfs/dbraw/zinc/47/55/71/334475571.db2.gz GRVRVUJMTFIFBE-ZDUSSCGKSA-N 0 1 309.366 3.510 20 5 DHBDMN CN(C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccsc1 ZINC000341740694 334475636 /nfs/dbraw/zinc/47/56/36/334475636.db2.gz GRVRVUJMTFIFBE-CYBMUJFWSA-N 0 1 309.366 3.510 20 5 DHBDMN CN(C)Cc1cc(CNc2c(F)cccc2[N+](=O)[O-])ccc1F ZINC000342419631 334534994 /nfs/dbraw/zinc/53/49/94/334534994.db2.gz ULGUUWYJQINQGW-UHFFFAOYSA-N 0 1 321.327 3.547 20 5 DHBDMN COc1ccc2c(c1F)CC[C@@H]2NCc1ccccc1[N+](=O)[O-] ZINC000343651762 335185177 /nfs/dbraw/zinc/18/51/77/335185177.db2.gz LHFWFQQJGPQDNO-AWEZNQCLSA-N 0 1 316.332 3.520 20 5 DHBDMN CCS[C@H]1CCC[C@@H]1NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000352370650 336214724 /nfs/dbraw/zinc/21/47/24/336214724.db2.gz BPAVYRXJFNJGQY-KBPBESRZSA-N 0 1 316.373 3.637 20 5 DHBDMN CCS[C@@H]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609487 336226836 /nfs/dbraw/zinc/22/68/36/336226836.db2.gz UGVJMSDOWOHXDO-GXTWGEPZSA-N 0 1 312.410 3.840 20 5 DHBDMN CN(C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000301060693 336287756 /nfs/dbraw/zinc/28/77/56/336287756.db2.gz RULPQCAIGQZBQL-ZDUSSCGKSA-N 0 1 309.753 3.556 20 5 DHBDMN Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)N1CCCC1 ZINC000301186970 336293978 /nfs/dbraw/zinc/29/39/78/336293978.db2.gz PUCHMGQZNVIPKL-HNNXBMFYSA-N 0 1 315.373 3.745 20 5 DHBDMN CC[C@@H]1CN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)CCS1 ZINC000302154204 336351183 /nfs/dbraw/zinc/35/11/83/336351183.db2.gz IKPUALJLCXRWPG-CYBMUJFWSA-N 0 1 317.414 3.783 20 5 DHBDMN Cc1cc(N2C[C@@H](C)S[C@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302159749 336351513 /nfs/dbraw/zinc/35/15/13/336351513.db2.gz JOVVVSMFKHGAPC-VXGBXAGGSA-N 0 1 317.414 3.782 20 5 DHBDMN Cc1ccc(Cl)cc1N(C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000514626121 336386276 /nfs/dbraw/zinc/38/62/76/336386276.db2.gz RGVFDBDMVLJVTC-UHFFFAOYSA-N 0 1 320.732 3.539 20 5 DHBDMN O=C(N[C@H]1CCCCC12CCCC2)c1cc(O)cc([N+](=O)[O-])c1 ZINC000361198709 336744052 /nfs/dbraw/zinc/74/40/52/336744052.db2.gz GGHWDUKDDNPLCL-HNNXBMFYSA-N 0 1 318.373 3.533 20 5 DHBDMN CCS[C@@H]1CC[C@@H](N(C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000174349415 337140948 /nfs/dbraw/zinc/14/09/48/337140948.db2.gz JKLRWVBRFQKMLR-VXGBXAGGSA-N 0 1 300.449 3.762 20 5 DHBDMN CCOc1ccc([C@H](C)NCc2cncc(C)c2)cc1[N+](=O)[O-] ZINC000181834989 337184798 /nfs/dbraw/zinc/18/47/98/337184798.db2.gz HLXSNOFQHZSIBR-ZDUSSCGKSA-N 0 1 315.373 3.548 20 5 DHBDMN O=C(Nc1cccc2ccccc21)c1cc(O)cc([N+](=O)[O-])c1 ZINC000432582368 338159751 /nfs/dbraw/zinc/15/97/51/338159751.db2.gz CMEGZLHQXIRBMU-UHFFFAOYSA-N 0 1 308.293 3.706 20 5 DHBDMN CC(C)N(C)c1ccccc1CNCc1ccccc1[N+](=O)[O-] ZINC000438326732 338339792 /nfs/dbraw/zinc/33/97/92/338339792.db2.gz KHOMFECSUOGCHT-UHFFFAOYSA-N 0 1 313.401 3.729 20 5 DHBDMN Cc1cc([N+](=O)[O-])ccc1CNc1nccn1-c1ccccc1 ZINC000438928376 338356284 /nfs/dbraw/zinc/35/62/84/338356284.db2.gz IHBNPKORHZLQJK-UHFFFAOYSA-N 0 1 308.341 3.701 20 5 DHBDMN CCCCn1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C(C)C ZINC000450480689 338686794 /nfs/dbraw/zinc/68/67/94/338686794.db2.gz VARGCILEWPAXCL-UHFFFAOYSA-N 0 1 318.381 3.557 20 5 DHBDMN C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000453301275 338820981 /nfs/dbraw/zinc/82/09/81/338820981.db2.gz XKRXFPRFIAKEOC-OBJOEFQTSA-N 0 1 312.360 3.939 20 5 DHBDMN CN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC(C)(C)C1 ZINC000459748925 339046065 /nfs/dbraw/zinc/04/60/65/339046065.db2.gz XRXSZBFLQHZFTO-UHFFFAOYSA-N 0 1 315.373 3.870 20 5 DHBDMN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4C[C@H]3CS4)o2)c1 ZINC000459767227 339047340 /nfs/dbraw/zinc/04/73/40/339047340.db2.gz PERQCMFHADNMPX-ZFWWWQNUSA-N 0 1 316.382 3.545 20 5 DHBDMN CN(CCc1cccs1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000464762222 339151503 /nfs/dbraw/zinc/15/15/03/339151503.db2.gz UFLKDTBWELRPEJ-UHFFFAOYSA-N 0 1 310.806 3.984 20 5 DHBDMN C[C@@H](N[C@@H](C)c1ccc2n[nH]cc2c1)c1ccccc1[N+](=O)[O-] ZINC000507245595 340215419 /nfs/dbraw/zinc/21/54/19/340215419.db2.gz BTXPDAROWZIVNC-NWDGAFQWSA-N 0 1 310.357 3.883 20 5 DHBDMN C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000507245598 340215570 /nfs/dbraw/zinc/21/55/70/340215570.db2.gz BTXPDAROWZIVNC-VXGBXAGGSA-N 0 1 310.357 3.883 20 5 DHBDMN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1c(F)cccc1F ZINC000539234412 340877798 /nfs/dbraw/zinc/87/77/98/340877798.db2.gz RUSUACGUUMWUBX-NSHDSACASA-N 0 1 322.311 3.603 20 5 DHBDMN Cc1ccc([C@H](C)N[C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000130384791 341020523 /nfs/dbraw/zinc/02/05/23/341020523.db2.gz BNSUQRPYQORUMC-LRDDRELGSA-N 0 1 312.369 3.947 20 5 DHBDMN CC(C)(C)OC1CC(NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000548176068 341251739 /nfs/dbraw/zinc/25/17/39/341251739.db2.gz HGNMVSHQAJYUJE-UHFFFAOYSA-N 0 1 312.797 3.684 20 5 DHBDMN COc1cc(CN2CC(C)(C)[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000550444416 341317149 /nfs/dbraw/zinc/31/71/49/341317149.db2.gz UXPNMWXZVDLCQN-JSGCOSHPSA-N 0 1 322.380 3.753 20 5 DHBDMN COc1cc(F)cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090972147 341420973 /nfs/dbraw/zinc/42/09/73/341420973.db2.gz PFRPTOGNGRSNIF-LLVKDONJSA-N 0 1 304.321 3.593 20 5 DHBDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2sccc21 ZINC000268861396 341605067 /nfs/dbraw/zinc/60/50/67/341605067.db2.gz JOLPEQZWVALQGX-CQSZACIVSA-N 0 1 318.398 3.832 20 5 DHBDMN COc1ccccc1[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000158093671 524813381 /nfs/dbraw/zinc/81/33/81/524813381.db2.gz PTSXUWRIXWMNAE-ZDUSSCGKSA-N 0 1 318.398 3.654 20 5 DHBDMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCc2c1cccc2O ZINC000130435461 526089283 /nfs/dbraw/zinc/08/92/83/526089283.db2.gz AGULOJPKLMVQON-SJKOYZFVSA-N 0 1 312.369 3.947 20 5 DHBDMN O=[N+]([O-])c1ccc(CNc2cc3c(cn2)CCC3)c(Cl)c1 ZINC000339556720 527352393 /nfs/dbraw/zinc/35/23/93/527352393.db2.gz UMAHUGITBIGJMH-UHFFFAOYSA-N 0 1 303.749 3.744 20 5 DHBDMN CCOC1CC2(C1)CCN(Cc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC000285359272 535397809 /nfs/dbraw/zinc/39/78/09/535397809.db2.gz BFTQWMPOEKRCFQ-UHFFFAOYSA-N 0 1 324.808 3.639 20 5 DHBDMN