smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)c1[N+](=O)[O-] ZINC000000651432 539331420 /nfs/dbraw/zinc/33/14/20/539331420.db2.gz LREWEEUTLJXHBK-UHFFFAOYSA-N 0 0 372.360 2.431 50 5 FEBARN O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCCCC1)n1ccccc1=O ZINC000000819360 539334398 /nfs/dbraw/zinc/33/43/98/539334398.db2.gz CZZHQCCMSAOTPE-KRWDZBQOSA-N 0 0 369.377 2.193 50 5 FEBARN COC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 ZINC000001204783 539340222 /nfs/dbraw/zinc/34/02/22/539340222.db2.gz FCSOCPYTXAORMG-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002869970 539355804 /nfs/dbraw/zinc/35/58/04/539355804.db2.gz ONGLYCZBWVPEMD-UHFFFAOYSA-N 0 0 374.357 2.440 50 5 FEBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C[C@H](C)O1 ZINC000005032207 539400070 /nfs/dbraw/zinc/40/00/70/539400070.db2.gz ZBKOIWAMPFBYFG-QWRGUYRKSA-N 0 0 350.423 2.325 50 5 FEBARN CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)O1 ZINC000005351484 539409237 /nfs/dbraw/zinc/40/92/37/539409237.db2.gz SRDDTRXHLCREPU-CQSZACIVSA-N 0 0 360.366 2.332 50 5 FEBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012780096 539574199 /nfs/dbraw/zinc/57/41/99/539574199.db2.gz BDNBGPKLATWHNT-ZDUSSCGKSA-N 0 0 367.413 2.155 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)C[C@H](C)O1 ZINC000013713283 539590813 /nfs/dbraw/zinc/59/08/13/539590813.db2.gz KDSZSMHOGRSDBT-AOOOYVTPSA-N 0 0 362.365 2.463 50 5 FEBARN CNS(=O)(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000015169501 539613666 /nfs/dbraw/zinc/61/36/66/539613666.db2.gz GTFGDSYLWPGFRY-VIFPVBQESA-N 0 0 367.349 2.282 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 ZINC000019595645 539663417 /nfs/dbraw/zinc/66/34/17/539663417.db2.gz JPJOVOODFZGOBN-SFHVURJKSA-N 0 0 357.410 2.157 50 5 FEBARN CC(C)OC(=O)C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccccc1[N+](=O)[O-] ZINC000024484514 539732519 /nfs/dbraw/zinc/73/25/19/539732519.db2.gz RLWSKQHATCDPKR-AWEZNQCLSA-N 0 0 373.365 2.096 50 5 FEBARN CC(C)(CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000040098663 540006025 /nfs/dbraw/zinc/00/60/25/540006025.db2.gz WEDBENPPYLWUHZ-UHFFFAOYSA-N 0 0 356.810 2.481 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(C(=O)NC(C)C)C1 ZINC000040130824 540007633 /nfs/dbraw/zinc/00/76/33/540007633.db2.gz DWYNTTFAHJWHGL-LBPRGKRZSA-N 0 0 364.402 2.372 50 5 FEBARN CCOC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000001842865 204020522 /nfs/dbraw/zinc/02/05/22/204020522.db2.gz RVEIAMZETABDBE-MRXNPFEDSA-N 0 0 368.345 2.365 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1nnc(-c2ccccc2)o1 ZINC000003221011 204082092 /nfs/dbraw/zinc/08/20/92/204082092.db2.gz VDLMACGINOMPPR-UHFFFAOYSA-N 0 0 358.266 2.033 50 5 FEBARN CCn1cc([C@H](C)NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c(C)n1 ZINC000002730138 204053105 /nfs/dbraw/zinc/05/31/05/204053105.db2.gz RTULEOXHCYIEGP-VIFPVBQESA-N 0 0 354.798 2.237 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC(C2CC2)=C[C@@]1(O)C(F)(F)F ZINC000004178866 204125915 /nfs/dbraw/zinc/12/59/15/204125915.db2.gz HEYGJZZOLIXJPR-CQSZACIVSA-N 0 0 357.288 2.387 50 5 FEBARN C[C@H]1Cc2ccccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003598644 204108916 /nfs/dbraw/zinc/10/89/16/204108916.db2.gz MGKXCTUIXIHKOC-NSHDSACASA-N 0 0 365.345 2.169 50 5 FEBARN O=C1N=C(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)SC1(CO)CO ZINC000004607908 204150663 /nfs/dbraw/zinc/15/06/63/204150663.db2.gz RRVSGQPRXRKVJP-UHFFFAOYSA-N 0 0 373.390 2.027 50 5 FEBARN Nn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1C1CC1 ZINC000005965677 204231836 /nfs/dbraw/zinc/23/18/36/204231836.db2.gz QRQPOJNTEIVGIZ-UHFFFAOYSA-N 0 0 368.806 2.162 50 5 FEBARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000008868092 204347316 /nfs/dbraw/zinc/34/73/16/204347316.db2.gz QFIUIQNHVVYVGS-UHFFFAOYSA-N 0 0 370.774 2.084 50 5 FEBARN COc1cc(CCNC(=O)[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000008937927 204349790 /nfs/dbraw/zinc/34/97/90/204349790.db2.gz PEIKHWDUJBBZNG-SECBINFHSA-N 0 0 363.197 2.465 50 5 FEBARN C[C@@H](c1ccccc1)n1c(=O)[nH]c2nc3cc(N(C)C)ccc3nc2c1=O ZINC000009423789 204366968 /nfs/dbraw/zinc/36/69/68/204366968.db2.gz APEIMEDQQNTQOR-LBPRGKRZSA-N 0 0 361.405 2.308 50 5 FEBARN COC(=O)CCNC(=O)c1ccc(N[C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052957934 205188426 /nfs/dbraw/zinc/18/84/26/205188426.db2.gz QXJXBLYPXWLWLB-GFCCVEGCSA-N 0 0 372.381 2.456 50 5 FEBARN Cc1nn(CC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000058394132 205274354 /nfs/dbraw/zinc/27/43/54/205274354.db2.gz ABAWKJUQEHUAHO-MLGOLLRUSA-N 0 0 358.398 2.397 50 5 FEBARN CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000072319830 205509410 /nfs/dbraw/zinc/50/94/10/205509410.db2.gz LWONAYYXJOZYRR-UHFFFAOYSA-N 0 0 353.350 2.427 50 5 FEBARN O=c1oc2ccc(Cl)cc2n1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000085384761 205661374 /nfs/dbraw/zinc/66/13/74/205661374.db2.gz MUKUUHRZFIRYRF-UHFFFAOYSA-N 0 0 354.727 2.393 50 5 FEBARN COc1ccc(N2C[C@H](NC(=O)c3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000004497179 206177786 /nfs/dbraw/zinc/17/77/86/206177786.db2.gz WQUPBKUHZYFPCD-GFCCVEGCSA-N 0 0 355.350 2.139 50 5 FEBARN CSc1nnc(C)c(=O)n1COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004495798 206178004 /nfs/dbraw/zinc/17/80/04/206178004.db2.gz JJBUGMDRYBWGHO-UHFFFAOYSA-N 0 0 370.774 2.045 50 5 FEBARN COc1ccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)cc1 ZINC000004497181 206178055 /nfs/dbraw/zinc/17/80/55/206178055.db2.gz YHOWRZQUXNGWAV-CYBMUJFWSA-N 0 0 369.377 2.447 50 5 FEBARN Cc1cc(C(=O)NCC(=O)OCC(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000007981864 206213918 /nfs/dbraw/zinc/21/39/18/206213918.db2.gz ZOIDIARASIQLRT-UHFFFAOYSA-N 0 0 374.324 2.198 50 5 FEBARN CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000170619599 206275897 /nfs/dbraw/zinc/27/58/97/206275897.db2.gz BYEBRCJQNGEZOI-UHFFFAOYSA-N 0 0 373.337 2.459 50 5 FEBARN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCSc3ncccc32)cc1 ZINC000084493519 542715994 /nfs/dbraw/zinc/71/59/94/542715994.db2.gz JZNCUGMEFFPCPD-UHFFFAOYSA-N 0 0 351.409 2.432 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 ZINC000004797369 132306044 /nfs/dbraw/zinc/30/60/44/132306044.db2.gz JXQXELBOPXJQHY-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000000854961 132378982 /nfs/dbraw/zinc/37/89/82/132378982.db2.gz KSKAPXZQBIVNAS-UHFFFAOYSA-N 0 0 363.395 2.232 50 5 FEBARN O=[N+]([O-])c1cc(F)ccc1N1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000040072327 136119181 /nfs/dbraw/zinc/11/91/81/136119181.db2.gz JJZXVIHVWMQTRA-UHFFFAOYSA-N 0 0 369.360 2.036 50 5 FEBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cn1 ZINC000056406336 136127847 /nfs/dbraw/zinc/12/78/47/136127847.db2.gz KTXXYNUKMHWREI-FPYGCLRLSA-N 0 0 354.366 2.478 50 5 FEBARN CC(C)[C@H](C)N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000095959043 542984251 /nfs/dbraw/zinc/98/42/51/542984251.db2.gz HCBMVELZMMVJCG-ZDUSSCGKSA-N 0 0 371.459 2.096 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc2cc[nH]c2c1 ZINC000096231595 542997022 /nfs/dbraw/zinc/99/70/22/542997022.db2.gz HOWFQQGEBLVZLC-UHFFFAOYSA-N 0 0 363.333 2.425 50 5 FEBARN CCCc1noc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000012736108 535555485 /nfs/dbraw/zinc/55/54/85/535555485.db2.gz HPWYANOYNGEDRY-UHFFFAOYSA-N 0 0 373.413 2.212 50 5 FEBARN C[C@@H](NC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000001149615 539339205 /nfs/dbraw/zinc/33/92/05/539339205.db2.gz YWWBSUZTIQZRSR-NEPJUHHUSA-N 0 0 367.361 2.457 50 5 FEBARN C[C@H](NC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000001149614 539339411 /nfs/dbraw/zinc/33/94/11/539339411.db2.gz YWWBSUZTIQZRSR-RYUDHWBXSA-N 0 0 367.361 2.457 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@@H](C)C3)n2)C1 ZINC000005163157 539403570 /nfs/dbraw/zinc/40/35/70/539403570.db2.gz HCQZAMQVZJLDJY-LPWJVIDDSA-N 0 0 364.450 2.063 50 5 FEBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N1CCCc2ccccc21 ZINC000009912470 539509983 /nfs/dbraw/zinc/50/99/83/539509983.db2.gz FTGHVIIXGRSZMD-UHFFFAOYSA-N 0 0 370.409 2.390 50 5 FEBARN CN(C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011851772 539537786 /nfs/dbraw/zinc/53/77/86/539537786.db2.gz VMLDWKIPZIESLU-CYBMUJFWSA-N 0 0 364.379 2.114 50 5 FEBARN COCCNc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000012534866 539563064 /nfs/dbraw/zinc/56/30/64/539563064.db2.gz FIKZUVNFRNVRGR-UHFFFAOYSA-N 0 0 371.353 2.075 50 5 FEBARN CCS(=O)(=O)N1CCC(Nc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000024205197 539727441 /nfs/dbraw/zinc/72/74/41/539727441.db2.gz CWVJUIYGUJNDJM-UHFFFAOYSA-N 0 0 364.427 2.369 50 5 FEBARN COc1cccc(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000024841730 539742843 /nfs/dbraw/zinc/74/28/43/539742843.db2.gz WBZXYRPVXIVJRW-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN COc1ccc(C(=O)NCC(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] ZINC000025381134 539759171 /nfs/dbraw/zinc/75/91/71/539759171.db2.gz UCZHGRGZHAFQHS-UHFFFAOYSA-N 0 0 371.349 2.175 50 5 FEBARN Cc1nn(C)c2nc(C)c(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc12 ZINC000029008794 539840679 /nfs/dbraw/zinc/84/06/79/539840679.db2.gz YIPNMKREDJMIOF-UHFFFAOYSA-N 0 0 368.397 2.335 50 5 FEBARN O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000030260339 539876967 /nfs/dbraw/zinc/87/69/67/539876967.db2.gz KHSURSRNELAQSP-UHFFFAOYSA-N 0 0 362.317 2.317 50 5 FEBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000040089966 540005734 /nfs/dbraw/zinc/00/57/34/540005734.db2.gz MKSHGQDHCZIBDB-CQSZACIVSA-N 0 0 355.398 2.081 50 5 FEBARN Cc1noc([C@H]2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)n1 ZINC000040156371 540007830 /nfs/dbraw/zinc/00/78/30/540007830.db2.gz UZKOYTGVZZCSOB-NSHDSACASA-N 0 0 366.399 2.074 50 5 FEBARN Cc1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050321289 540404597 /nfs/dbraw/zinc/40/45/97/540404597.db2.gz DKNARRNVCNHVTO-GOEBONIOSA-N 0 0 362.382 2.230 50 5 FEBARN COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000002459179 204039775 /nfs/dbraw/zinc/03/97/75/204039775.db2.gz UXKRIFRARWHSDM-SKDRFNHKSA-N 0 0 359.176 2.063 50 5 FEBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000001879234 204020715 /nfs/dbraw/zinc/02/07/15/204020715.db2.gz AQUYXLYUSDUNAE-NTEUORMPSA-N 0 0 368.349 2.413 50 5 FEBARN COc1ccc(CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC ZINC000003077531 204076629 /nfs/dbraw/zinc/07/66/29/204076629.db2.gz DCIMAMXJCRRZOL-UHFFFAOYSA-N 0 0 356.334 2.451 50 5 FEBARN O=C(COC(=O)c1ccccn1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002637925 204047518 /nfs/dbraw/zinc/04/75/18/204047518.db2.gz ORSCLILGYRHAKP-UHFFFAOYSA-N 0 0 358.335 2.395 50 5 FEBARN CCn1nccc1CN(C)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002795372 204058324 /nfs/dbraw/zinc/05/83/24/204058324.db2.gz PWTTUZUKNXUCTC-UHFFFAOYSA-N 0 0 368.397 2.328 50 5 FEBARN COc1cc(C(=O)OCC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000003355461 204093920 /nfs/dbraw/zinc/09/39/20/204093920.db2.gz GLWGGDSZLKLUFX-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN Cc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cccc1[N+](=O)[O-] ZINC000003464690 204102551 /nfs/dbraw/zinc/10/25/51/204102551.db2.gz YPHOZYPRNGTNJE-UHFFFAOYSA-N 0 0 357.153 2.405 50 5 FEBARN COc1ccc(OC[C@H](O)CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000004700616 204156475 /nfs/dbraw/zinc/15/64/75/204156475.db2.gz FWIMLYQFSVYHNW-CQSZACIVSA-N 0 0 374.393 2.424 50 5 FEBARN Nc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1[N+](=O)[O-] ZINC000004882347 204171986 /nfs/dbraw/zinc/17/19/86/204171986.db2.gz WTHTZPCEYRBGQU-UHFFFAOYSA-N 0 0 357.366 2.083 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004913623 204175413 /nfs/dbraw/zinc/17/54/13/204175413.db2.gz XMVQVLGCHLIMSH-GFCCVEGCSA-N 0 0 350.396 2.379 50 5 FEBARN COc1ccccc1-c1cc(N)n(S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000005034631 204186700 /nfs/dbraw/zinc/18/67/00/204186700.db2.gz ZXKASFXLXKDVGP-UHFFFAOYSA-N 0 0 374.378 2.286 50 5 FEBARN COc1ccc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1F ZINC000005192528 204197802 /nfs/dbraw/zinc/19/78/02/204197802.db2.gz WEROQGUCBKQEQD-UHFFFAOYSA-N 0 0 357.297 2.335 50 5 FEBARN O=C(CCN1C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000005685319 204220579 /nfs/dbraw/zinc/22/05/79/204220579.db2.gz UJSQULRCWCEZKD-UHFFFAOYSA-N 0 0 354.318 2.324 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000006370944 204246015 /nfs/dbraw/zinc/24/60/15/204246015.db2.gz YZEJXONZCJKCEQ-UHFFFAOYSA-N 0 0 370.321 2.275 50 5 FEBARN Cc1c(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)cccc1[N+](=O)[O-] ZINC000007269551 204292322 /nfs/dbraw/zinc/29/23/22/204292322.db2.gz VCQTVYTXJLSQQF-UHFFFAOYSA-N 0 0 374.397 2.487 50 5 FEBARN CC(=O)Nc1cc2nc3[nH]c(=O)n(C4CCCCC4)c(=O)c3nc2cc1C ZINC000006733139 204264806 /nfs/dbraw/zinc/26/48/06/204264806.db2.gz IIGAGXOPKKNZOH-UHFFFAOYSA-N 0 0 367.409 2.405 50 5 FEBARN CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009337374 204363958 /nfs/dbraw/zinc/36/39/58/204363958.db2.gz BTPUDUVBZLCDSE-OAHLLOKOSA-N 0 0 363.370 2.145 50 5 FEBARN CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000012902855 204507648 /nfs/dbraw/zinc/50/76/48/204507648.db2.gz NDEYXHVDAPIWBW-LBPRGKRZSA-N 0 0 364.379 2.055 50 5 FEBARN Cn1cc([N+](=O)[O-])cc1C(=O)NCCc1cc(Cl)c2c(c1)OCCO2 ZINC000040018295 205050270 /nfs/dbraw/zinc/05/02/70/205050270.db2.gz BJVDJCOJMCNYJS-UHFFFAOYSA-N 0 0 365.773 2.330 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000046812351 205140166 /nfs/dbraw/zinc/14/01/66/205140166.db2.gz MRFKRSXMIDLDGF-CHWSQXEVSA-N 0 0 372.468 2.270 50 5 FEBARN COc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1[N+](=O)[O-] ZINC000003542692 206162415 /nfs/dbraw/zinc/16/24/15/206162415.db2.gz VIPKJKOYZOQXQA-UHFFFAOYSA-N 0 0 361.335 2.030 50 5 FEBARN O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccc([N+](=O)[O-])cc1 ZINC000005056663 206188651 /nfs/dbraw/zinc/18/86/51/206188651.db2.gz OIZBUAKJZWKNBF-UHFFFAOYSA-N 0 0 366.312 2.073 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000004517936 206179290 /nfs/dbraw/zinc/17/92/90/206179290.db2.gz HNDLXYJCQNJQDA-UHFFFAOYSA-N 0 0 350.352 2.259 50 5 FEBARN CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000006084622 206201323 /nfs/dbraw/zinc/20/13/23/206201323.db2.gz CBEPFJHSUXNZBZ-UHFFFAOYSA-N 0 0 355.397 2.159 50 5 FEBARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004427337 206238721 /nfs/dbraw/zinc/23/87/21/206238721.db2.gz FLFIFHHQICBLKC-UHFFFAOYSA-N 0 0 355.759 2.148 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000095961968 132216435 /nfs/dbraw/zinc/21/64/35/132216435.db2.gz ALDBBSRJSQPCJA-UHFFFAOYSA-N 0 0 357.414 2.283 50 5 FEBARN O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCC[C@@H](CO)C3)ncn1)CC2 ZINC000225415305 132284630 /nfs/dbraw/zinc/28/46/30/132284630.db2.gz CVKVFALFUHDXFK-CQSZACIVSA-N 0 0 369.425 2.156 50 5 FEBARN O=[N+]([O-])c1ccc(CCS(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000089787535 542771283 /nfs/dbraw/zinc/77/12/83/542771283.db2.gz KSTIMPNCVNETSQ-UHFFFAOYSA-N 0 0 364.379 2.350 50 5 FEBARN CC[C@@H](C)NC(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000004660438 132823784 /nfs/dbraw/zinc/82/37/84/132823784.db2.gz LXCHLZMTFOLNAQ-CYBMUJFWSA-N 0 0 363.414 2.466 50 5 FEBARN O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)c1ccccc1 ZINC000044499265 136121729 /nfs/dbraw/zinc/12/17/29/136121729.db2.gz RGYYYDMQCZCOTB-UHFFFAOYSA-N 0 0 362.336 2.430 50 5 FEBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000057122062 136128330 /nfs/dbraw/zinc/12/83/30/136128330.db2.gz ALOTVOANVRBLLQ-UHFFFAOYSA-N 0 0 369.377 2.458 50 5 FEBARN C[C@H]1CN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000006571963 136151830 /nfs/dbraw/zinc/15/18/30/136151830.db2.gz QUZSTUAYGZBXHS-QWRGUYRKSA-N 0 0 350.423 2.325 50 5 FEBARN CC(C)[C@@H](C)N(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000095959042 542984324 /nfs/dbraw/zinc/98/43/24/542984324.db2.gz HCBMVELZMMVJCG-CYBMUJFWSA-N 0 0 371.459 2.096 50 5 FEBARN COc1ccc(S(=O)(=O)N(C)Cc2ccccc2N)cc1[N+](=O)[O-] ZINC000097147754 543005544 /nfs/dbraw/zinc/00/55/44/543005544.db2.gz KSLMOORDFOMTIJ-UHFFFAOYSA-N 0 0 351.384 2.006 50 5 FEBARN CCn1c(=N)c(C(=O)N2CCCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100662722 543025446 /nfs/dbraw/zinc/02/54/46/543025446.db2.gz CYHZBSXIIMISCK-UHFFFAOYSA-N 0 0 365.437 2.083 50 5 FEBARN COc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000052537623 536766237 /nfs/dbraw/zinc/76/62/37/536766237.db2.gz ASTBIOMJLLXPFF-UHFFFAOYSA-N 0 0 370.409 2.364 50 5 FEBARN Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000170591497 546162492 /nfs/dbraw/zinc/16/24/92/546162492.db2.gz YDZDWYXSWQBOEA-MLGOLLRUSA-N 0 0 367.358 2.054 50 5 FEBARN COC(=O)c1ccc(OC(=O)C=S([O-])c2ccccc2[N+](=O)[O-])cc1 ZINC000008468197 571047649 /nfs/dbraw/zinc/04/76/49/571047649.db2.gz FWZLNQSGWDMVNZ-RUZDIDTESA-N 0 0 363.347 2.095 50 5 FEBARN COc1ccccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000893210 539335052 /nfs/dbraw/zinc/33/50/52/539335052.db2.gz SORUMJGXTAQPKC-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000001105689 539338926 /nfs/dbraw/zinc/33/89/26/539338926.db2.gz YBKFDPBXGCHRAX-GFCCVEGCSA-N 0 0 371.296 2.339 50 5 FEBARN c1ccc2nc3cc(N4CCOCC4)c(N4CCOCC4)cc3nc2c1 ZINC000005395270 539410362 /nfs/dbraw/zinc/41/03/62/539410362.db2.gz FLLKHWWOVBHLLM-UHFFFAOYSA-N 0 0 350.422 2.456 50 5 FEBARN Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000012446613 539560243 /nfs/dbraw/zinc/56/02/43/539560243.db2.gz FESAYLKMEAJTEU-UHFFFAOYSA-N 0 0 362.327 2.256 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C1 ZINC000012549569 539564394 /nfs/dbraw/zinc/56/43/94/539564394.db2.gz FFOLEUPIYFJTMB-TUAOUCFPSA-N 0 0 350.423 2.040 50 5 FEBARN COc1ccc(NC(=O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000015629796 539620883 /nfs/dbraw/zinc/62/08/83/539620883.db2.gz XXFQSIMLCZFOKA-NYYWCZLTSA-N 0 0 355.350 2.372 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 ZINC000019313937 539655396 /nfs/dbraw/zinc/65/53/96/539655396.db2.gz JOPFADCZHBMVDM-UHFFFAOYSA-N 0 0 361.423 2.101 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1C(=O)NN1CCN(Cc2ccccc2)CC1 ZINC000019801758 539669686 /nfs/dbraw/zinc/66/96/86/539669686.db2.gz KMVCPKPBKKAQIH-UHFFFAOYSA-N 0 0 370.409 2.066 50 5 FEBARN COC(=O)c1cc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc([N+](=O)[O-])c1 ZINC000020854245 539677783 /nfs/dbraw/zinc/67/77/83/539677783.db2.gz LTBNNIYHXFAYOX-UHFFFAOYSA-N 0 0 370.321 2.112 50 5 FEBARN COC(=O)c1cccc2c1CCCN2C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000025191580 539751071 /nfs/dbraw/zinc/75/10/71/539751071.db2.gz RCQLKTDECGIAAL-UHFFFAOYSA-N 0 0 372.381 2.174 50 5 FEBARN O=[N+]([O-])c1ccc([S@@](=O)C[S@](=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028294040 539829951 /nfs/dbraw/zinc/82/99/51/539829951.db2.gz QZYJPARPLJGVNT-DHIUTWEWSA-N 0 0 354.365 2.376 50 5 FEBARN COCCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000032089091 539929261 /nfs/dbraw/zinc/92/92/61/539929261.db2.gz BRRJYYGJIIXYHX-UHFFFAOYSA-N 0 0 361.401 2.406 50 5 FEBARN CCCS(=O)(=O)NC1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000032825109 539955453 /nfs/dbraw/zinc/95/54/53/539955453.db2.gz SGONZMMZDDLVFA-UHFFFAOYSA-N 0 0 369.443 2.096 50 5 FEBARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000040146105 540007549 /nfs/dbraw/zinc/00/75/49/540007549.db2.gz DCZMKXATTFPEIR-INIZCTEOSA-N 0 0 359.363 2.386 50 5 FEBARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000054173040 540573569 /nfs/dbraw/zinc/57/35/69/540573569.db2.gz XCRUHMQIHPVTEE-SECBINFHSA-N 0 0 353.425 2.255 50 5 FEBARN CSc1ccc(C(=O)NCCc2nnc3ccccn32)cc1[N+](=O)[O-] ZINC000011545518 219921051 /nfs/dbraw/zinc/92/10/51/219921051.db2.gz LZEMNGABNGYYHK-UHFFFAOYSA-N 0 0 357.395 2.332 50 5 FEBARN CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccc([N+](=O)[O-])cc1 ZINC000071767328 541772337 /nfs/dbraw/zinc/77/23/37/541772337.db2.gz HABSPHWJOOTNNJ-SQFISAMPSA-N 0 0 351.344 2.045 50 5 FEBARN CCCn1c(N)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)n(CCC)c1=O ZINC000003211425 204082239 /nfs/dbraw/zinc/08/22/39/204082239.db2.gz GDWLHUQKHXYGCW-UHFFFAOYSA-N 0 0 364.427 2.472 50 5 FEBARN O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000003213832 204082616 /nfs/dbraw/zinc/08/26/16/204082616.db2.gz MMCWHPZYFXPVEI-UHFFFAOYSA-N 0 0 353.381 2.233 50 5 FEBARN CC(C)C[C@]1(C)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000002642678 204048525 /nfs/dbraw/zinc/04/85/25/204048525.db2.gz KZUHWYWEXVHQAF-KRWDZBQOSA-N 0 0 363.370 2.318 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000002702786 204052125 /nfs/dbraw/zinc/05/21/25/204052125.db2.gz QSYDMUCJFPWCKP-ZANVPECISA-N 0 0 361.379 2.416 50 5 FEBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCc1ccccc1Cl ZINC000003325685 204091421 /nfs/dbraw/zinc/09/14/21/204091421.db2.gz XQLZGAVXLQKSQH-UHFFFAOYSA-N 0 0 373.752 2.161 50 5 FEBARN O=c1c2ccccc2ncn1CCOCCOc1ccc([N+](=O)[O-])cc1 ZINC000002862945 204063188 /nfs/dbraw/zinc/06/31/88/204063188.db2.gz UMQATNFAYUHGKT-UHFFFAOYSA-N 0 0 355.350 2.400 50 5 FEBARN CCOC(=O)N1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004268029 204130248 /nfs/dbraw/zinc/13/02/48/204130248.db2.gz HEHMWLUHNLTTCU-UHFFFAOYSA-N 0 0 367.427 2.129 50 5 FEBARN O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccccc1 ZINC000005068107 204189698 /nfs/dbraw/zinc/18/96/98/204189698.db2.gz OQBRPXYCHLNMOL-GOSISDBHSA-N 0 0 351.318 2.422 50 5 FEBARN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(C)=O ZINC000006158789 204239465 /nfs/dbraw/zinc/23/94/65/204239465.db2.gz DOQKBNIYMYVZGK-UHFFFAOYSA-N 0 0 365.367 2.363 50 5 FEBARN C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccccc1 ZINC000006465352 204250169 /nfs/dbraw/zinc/25/01/69/204250169.db2.gz HHSGSJFGYUSLEV-LBPRGKRZSA-N 0 0 373.365 2.183 50 5 FEBARN CCOc1cc([N+](=O)[O-])cc2cc(C(=O)NCc3cccnc3)c(=O)oc21 ZINC000007467947 204298504 /nfs/dbraw/zinc/29/85/04/204298504.db2.gz GAWHLJGLSJWSOZ-UHFFFAOYSA-N 0 0 369.333 2.425 50 5 FEBARN O=C(OCc1nc2ccccc2o1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000008192845 204322017 /nfs/dbraw/zinc/32/20/17/204322017.db2.gz NCXUJMHXRTUYTR-UHFFFAOYSA-N 0 0 357.322 2.497 50 5 FEBARN COc1ccc([C@H](C)NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1F ZINC000008771475 204345022 /nfs/dbraw/zinc/34/50/22/204345022.db2.gz JBPIMKOETSQHNW-VIFPVBQESA-N 0 0 350.350 2.433 50 5 FEBARN CN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009447788 204367937 /nfs/dbraw/zinc/36/79/37/204367937.db2.gz IMHCRIHBCOFJQL-UHFFFAOYSA-N 0 0 373.390 2.257 50 5 FEBARN COc1ccc(CN(C)c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1OC ZINC000008726398 204341075 /nfs/dbraw/zinc/34/10/75/204341075.db2.gz IIONSIUTKCRJEM-UHFFFAOYSA-N 0 0 370.365 2.485 50 5 FEBARN O=c1c2ccccc2nc(CN2CCOCC2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000019201845 204671340 /nfs/dbraw/zinc/67/13/40/204671340.db2.gz VMKGMZWRZTXBJE-UHFFFAOYSA-N 0 0 366.377 2.126 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(F)cc3cccnc32)c1=O ZINC000040072652 205052750 /nfs/dbraw/zinc/05/27/50/205052750.db2.gz GRLBPYRLRVOCNS-UHFFFAOYSA-N 0 0 357.297 2.279 50 5 FEBARN CCS(=O)(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000046287699 205134403 /nfs/dbraw/zinc/13/44/03/205134403.db2.gz DHAAXKMVSQSMLA-UHFFFAOYSA-N 0 0 364.379 2.406 50 5 FEBARN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000055282904 205213419 /nfs/dbraw/zinc/21/34/19/205213419.db2.gz FMTATXLIYYKVSZ-MRXNPFEDSA-N 0 0 362.430 2.160 50 5 FEBARN CNC(=O)c1ccc(N2CCCN(C(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000066816235 205367711 /nfs/dbraw/zinc/36/77/11/205367711.db2.gz UOLGTVYLUNSBNE-UHFFFAOYSA-N 0 0 362.430 2.039 50 5 FEBARN COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@@H]1c1ccc(C)cc1 ZINC000002090419 206153147 /nfs/dbraw/zinc/15/31/47/206153147.db2.gz AGXMJTBTKRHSRW-SPYBWZPUSA-N 0 0 372.377 2.021 50 5 biogenic FEBARN CC(C)(C)c1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N)on1 ZINC000005260134 206191124 /nfs/dbraw/zinc/19/11/24/206191124.db2.gz GKCKWFXTFPGSAD-UHFFFAOYSA-N 0 0 362.342 2.258 50 5 FEBARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000005314722 206193981 /nfs/dbraw/zinc/19/39/81/206193981.db2.gz BMWFMRWFCHMCFT-UHFFFAOYSA-N 0 0 361.379 2.387 50 5 FEBARN Cc1ccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000004504717 206179996 /nfs/dbraw/zinc/17/99/96/206179996.db2.gz FEAFGZHPUJZBIP-CQSZACIVSA-N 0 0 354.428 2.189 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1ccc2c(c1)OCO2 ZINC000007639934 206212266 /nfs/dbraw/zinc/21/22/66/206212266.db2.gz LYWZLLQWNHIVPI-UHFFFAOYSA-N 0 0 373.365 2.403 50 5 FEBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(F)cc1 ZINC000008643565 206215655 /nfs/dbraw/zinc/21/56/55/206215655.db2.gz RPGXAPVMHPIXJM-UHFFFAOYSA-N 0 0 358.281 2.073 50 5 FEBARN CC(=O)N1CCc2cc(S(=O)(=O)Oc3cccc([N+](=O)[O-])c3)ccc21 ZINC000015331257 206314387 /nfs/dbraw/zinc/31/43/87/206314387.db2.gz CYKMYZCYVINYDS-UHFFFAOYSA-N 0 0 362.363 2.272 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccccc1OCC(F)(F)F ZINC000025451377 206423659 /nfs/dbraw/zinc/42/36/59/206423659.db2.gz MPTYSSSDRZRSJS-UHFFFAOYSA-N 0 0 371.271 2.336 50 5 FEBARN COC(=O)c1ccc(CN(C)C(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000032816773 206513249 /nfs/dbraw/zinc/51/32/49/206513249.db2.gz IJQJYRPZYCYJLK-UHFFFAOYSA-N 0 0 358.350 2.419 50 5 FEBARN O=[N+]([O-])c1cccnc1N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000096630455 132225484 /nfs/dbraw/zinc/22/54/84/132225484.db2.gz PECSXVAGFHGXFC-ZSOIEALJSA-N 0 0 374.422 2.113 50 5 FEBARN CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 ZINC000004740899 132824443 /nfs/dbraw/zinc/82/44/43/132824443.db2.gz VFWOCRLMTZDHLF-UHFFFAOYSA-N 0 0 355.398 2.270 50 5 FEBARN O=C(Cn1ncc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004912104 132825386 /nfs/dbraw/zinc/82/53/86/132825386.db2.gz OUUKHPZNNGVGGK-UHFFFAOYSA-N 0 0 365.393 2.293 50 5 FEBARN C[C@H](C(=O)N1CCC[C@H](C)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057380677 136129074 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O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccn2)CC1 ZINC000009376607 539502622 /nfs/dbraw/zinc/50/26/22/539502622.db2.gz KVBRXYWJLRAQTM-UHFFFAOYSA-N 0 0 358.423 2.431 50 5 FEBARN CNS(=O)(=O)c1ccc(N2CCC[C@@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000012537553 539563551 /nfs/dbraw/zinc/56/35/51/539563551.db2.gz UCLCTHIBYUNZDE-CYBMUJFWSA-N 0 0 366.399 2.141 50 5 FEBARN COc1ccc(OC)c(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000013003517 539582359 /nfs/dbraw/zinc/58/23/59/539582359.db2.gz BDFSHVCJCKEMKA-UHFFFAOYSA-N 0 0 358.398 2.329 50 5 FEBARN CCOC(=O)COc1c(OC)cc(C(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000015108578 539612638 /nfs/dbraw/zinc/61/26/38/539612638.db2.gz SZWWTZFVEFPUGA-UHFFFAOYSA-N 0 0 354.359 2.027 50 5 FEBARN CC(C)C(=O)N1CCC[C@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000023198122 539709190 /nfs/dbraw/zinc/70/91/90/539709190.db2.gz UMVZCQNRXHVREV-AWEZNQCLSA-N 0 0 362.430 2.018 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccc(O)cc2)CC1 ZINC000024165147 539726639 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CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003294538 204088737 /nfs/dbraw/zinc/08/87/37/204088737.db2.gz BMRWHWTVMZTRET-UHFFFAOYSA-N 0 0 364.379 2.202 50 5 FEBARN CCc1c(C)sc2ncn3nc(Cn4cc([N+](=O)[O-])c(OC)n4)nc3c12 ZINC000002789842 204058437 /nfs/dbraw/zinc/05/84/37/204058437.db2.gz VHSNMGVLMFBZRK-UHFFFAOYSA-N 0 0 373.398 2.371 50 5 FEBARN COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)cc1Br ZINC000002792858 204058814 /nfs/dbraw/zinc/05/88/14/204058814.db2.gz FWYZKWZWVRHMPG-ZANVPECISA-N 0 0 359.176 2.063 50 5 FEBARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004141150 204123245 /nfs/dbraw/zinc/12/32/45/204123245.db2.gz FJJIQBMSVJEXLQ-HNNXBMFYSA-N 0 0 363.370 2.191 50 5 FEBARN Cn1nc(-c2ccc(NCCCO)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000004164389 204125297 /nfs/dbraw/zinc/12/52/97/204125297.db2.gz CXZQQGAELGAKMH-UHFFFAOYSA-N 0 0 354.366 2.303 50 5 FEBARN Cc1ccc(OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C ZINC000003566108 204106934 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360.366 2.195 50 5 FEBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCc3ccc(F)cc3)[n+]2[O-])cc1 ZINC000004922744 204177488 /nfs/dbraw/zinc/17/74/88/204177488.db2.gz ZDTRFVQCYLKGDI-UHFFFAOYSA-N 0 0 359.317 2.174 50 5 FEBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(OCc2ccccc2)c1=O ZINC000005054952 204188338 /nfs/dbraw/zinc/18/83/38/204188338.db2.gz YQQFHUPFLFSKNR-UHFFFAOYSA-N 0 0 372.362 2.094 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 ZINC000006609039 204255711 /nfs/dbraw/zinc/25/57/11/204255711.db2.gz FWAASPYBIIBBNR-UHFFFAOYSA-N 0 0 358.306 2.427 50 5 FEBARN Cn1c(CCNC(=O)COc2ccccc2)nc2cc([N+](=O)[O-])ccc21 ZINC000006665451 204259846 /nfs/dbraw/zinc/25/98/46/204259846.db2.gz LTHQWYUAGHAXBQ-UHFFFAOYSA-N 0 0 354.366 2.219 50 5 FEBARN COc1ccc(CCN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])cc1OC ZINC000006714399 204262106 /nfs/dbraw/zinc/26/21/06/204262106.db2.gz QYYNRMXLBRFTJW-UHFFFAOYSA-N 0 0 359.382 2.390 50 5 FEBARN COc1ccc(NC(=O)[C@@H](C)OC(=O)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000007835711 204308973 /nfs/dbraw/zinc/30/89/73/204308973.db2.gz QKRUHAKJLJQEOI-SNVBAGLBSA-N 0 0 363.326 2.392 50 5 FEBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(F)c(F)c1 ZINC000007976907 204312397 /nfs/dbraw/zinc/31/23/97/204312397.db2.gz KCCLPEISOTVSPY-UHFFFAOYSA-N 0 0 366.324 2.328 50 5 FEBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCOCc1ccccc1 ZINC000009220926 204358258 /nfs/dbraw/zinc/35/82/58/204358258.db2.gz YMMDYTDRQVQECW-UHFFFAOYSA-N 0 0 365.411 2.261 50 5 FEBARN CN(Cc1ccc2c(c1)OCO2)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000009209279 204358639 /nfs/dbraw/zinc/35/86/39/204358639.db2.gz ZNFMNPCWRBBYSE-UHFFFAOYSA-N 0 0 354.322 2.196 50 5 FEBARN Cc1cc(C)n2c(CCCNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2n1 ZINC000012390564 204458128 /nfs/dbraw/zinc/45/81/28/204458128.db2.gz LDYUTCHJBSTWAO-UHFFFAOYSA-N 0 0 354.370 2.012 50 5 FEBARN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 ZINC000014899632 204590955 /nfs/dbraw/zinc/59/09/55/204590955.db2.gz BJJROPLYUBGFLA-ZDUSSCGKSA-N 0 0 357.366 2.353 50 5 FEBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1C[C@@H]1CCCO1 ZINC000038829110 205043490 /nfs/dbraw/zinc/04/34/90/205043490.db2.gz MBSAJNBQMKTEHD-AWEZNQCLSA-N 0 0 374.400 2.275 50 5 FEBARN O=c1c2cc3c(ccn(C4CCCCC4)c3=O)nc2ccn1-c1nc[nH]n1 ZINC000040267025 205064822 /nfs/dbraw/zinc/06/48/22/205064822.db2.gz PZXRNFLZSNIQPR-UHFFFAOYSA-N 0 0 362.393 2.324 50 5 FEBARN CNC(=O)c1ccc(CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000057810323 205246308 /nfs/dbraw/zinc/24/63/08/205246308.db2.gz BRAJVGOGUKDTSJ-UHFFFAOYSA-N 0 0 371.393 2.453 50 5 FEBARN COC(=O)CCN(CC(C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047675175 206083179 /nfs/dbraw/zinc/08/31/79/206083179.db2.gz COUNHGBOJPTQFL-UHFFFAOYSA-N 0 0 374.397 2.442 50 5 FEBARN Cc1cccc(-n2nnc3c2ncn(Cc2ccc([N+](=O)[O-])cc2)c3=O)c1 ZINC000005056968 206187868 /nfs/dbraw/zinc/18/78/68/206187868.db2.gz VMHJOEXIVPFASW-UHFFFAOYSA-N 0 0 362.349 2.242 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000004518050 206179977 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5 FEBARN Cc1ccc(S(=O)(=O)N2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000075107106 542152557 /nfs/dbraw/zinc/15/25/57/542152557.db2.gz LOCCEPRIZORBJN-UHFFFAOYSA-N 0 0 350.400 2.195 50 5 FEBARN COc1cc(CN(C)CC(=O)NCc2ccccc2[N+](=O)[O-])ccc1O ZINC000076093197 542232346 /nfs/dbraw/zinc/23/23/46/542232346.db2.gz KYOVOJULKQRJOW-UHFFFAOYSA-N 0 0 359.382 2.057 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C1=O ZINC000101172462 543026464 /nfs/dbraw/zinc/02/64/64/543026464.db2.gz DJVBVKDGXSKYIZ-ZBFHGGJFSA-N 0 0 369.308 2.335 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])c(-c2nccs2)n1)NCc1ccccc1F ZINC000225653910 548740460 /nfs/dbraw/zinc/74/04/60/548740460.db2.gz PSOIMMSYGCHVBC-UHFFFAOYSA-N 0 0 361.358 2.370 50 5 FEBARN CC1(C)C([N+](=O)[O-])[C@H](c2ccccn2)N[C@H](c2ccccn2)C1[N+](=O)[O-] ZINC000253387402 549685420 /nfs/dbraw/zinc/68/54/20/549685420.db2.gz PDCGKLLRCGMRSP-QKPAOTATSA-N 0 0 357.370 2.179 50 5 FEBARN CC[C@H]1OCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000277742574 550708778 /nfs/dbraw/zinc/70/87/78/550708778.db2.gz ISDFBBBQGQZCMI-DZGCQCFKSA-N 0 0 366.414 2.476 50 5 FEBARN COc1cc(C(=O)OCC(=O)N2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000003498183 539368449 /nfs/dbraw/zinc/36/84/49/539368449.db2.gz FKYHKIDVTPVYGS-NSHDSACASA-N 0 0 366.370 2.170 50 5 FEBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000008055125 539475434 /nfs/dbraw/zinc/47/54/34/539475434.db2.gz BUUAURMUAHPIRI-STQMWFEESA-N 0 0 371.459 2.239 50 5 FEBARN C[C@H]1CN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000009350170 539501741 /nfs/dbraw/zinc/50/17/41/539501741.db2.gz GOKVPBGLAKANAX-UWVGGRQHSA-N 0 0 362.365 2.463 50 5 FEBARN CS(=O)(=O)Nc1nc2ccccc2n2c(=O)c3ccc(Cl)cc3nc12 ZINC000011692177 539533257 /nfs/dbraw/zinc/53/32/57/539533257.db2.gz SEEAODQOHMUZDD-UHFFFAOYSA-N 0 0 374.809 2.421 50 5 FEBARN O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000011903564 539538160 /nfs/dbraw/zinc/53/81/60/539538160.db2.gz HCOSMMJPGJGPPF-UHFFFAOYSA-N 0 0 360.395 2.288 50 5 FEBARN CC(=O)Nc1cccc(-n2nnnc2Sc2ccc([N+](=O)[O-])cn2)c1 ZINC000012527387 539563660 /nfs/dbraw/zinc/56/36/60/539563660.db2.gz IZWBDVPTTQHXDY-UHFFFAOYSA-N 0 0 357.355 2.075 50 5 FEBARN Nc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] ZINC000012586961 539566782 /nfs/dbraw/zinc/56/67/82/539566782.db2.gz CVSGXDSBPAFLDE-UHFFFAOYSA-N 0 0 351.366 2.352 50 5 FEBARN C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000025152567 539750260 /nfs/dbraw/zinc/75/02/60/539750260.db2.gz UYINPBSWXLWMCJ-OAHLLOKOSA-N 0 0 370.409 2.244 50 5 FEBARN COc1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000030493164 539882692 /nfs/dbraw/zinc/88/26/92/539882692.db2.gz DRGFSEFZAURPEA-UHFFFAOYSA-N 0 0 360.370 2.058 50 5 FEBARN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)cc1 ZINC000037520966 539996842 /nfs/dbraw/zinc/99/68/42/539996842.db2.gz WOERLIRRTONVCT-ZDUSSCGKSA-N 0 0 369.377 2.481 50 5 FEBARN Cc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000038488486 539999081 /nfs/dbraw/zinc/99/90/81/539999081.db2.gz XGOBPNVBTFVWIR-UHFFFAOYSA-N 0 0 358.402 2.181 50 5 FEBARN O=C(c1ccc(F)c([N+](=O)[O-])c1)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002944764 204070155 /nfs/dbraw/zinc/07/01/55/204070155.db2.gz RDVGYIPEHKLKLG-YPMHNXCESA-N 0 0 357.341 2.155 50 5 biogenic FEBARN COc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000003068022 204077432 /nfs/dbraw/zinc/07/74/32/204077432.db2.gz UHGLMYOSMOEXLV-UHFFFAOYSA-N 0 0 361.310 2.320 50 5 FEBARN CC(=O)NCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002762324 204056077 /nfs/dbraw/zinc/05/60/77/204056077.db2.gz WZNFVCBEAIYYEW-UHFFFAOYSA-N 0 0 372.333 2.249 50 5 FEBARN Cc1nn(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)c(C)c1[N+](=O)[O-] ZINC000002765000 204056386 /nfs/dbraw/zinc/05/63/86/204056386.db2.gz JRYNSEUBDQFRML-UHFFFAOYSA-N 0 0 368.397 2.252 50 5 FEBARN CN1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004119395 204122234 /nfs/dbraw/zinc/12/22/34/204122234.db2.gz BAJKHFLKTYKZLP-UHFFFAOYSA-N 0 0 368.393 2.235 50 5 FEBARN CSc1ccc(C(=O)NCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000003406878 204098231 /nfs/dbraw/zinc/09/82/31/204098231.db2.gz TUYRANWFLGQIGL-UHFFFAOYSA-N 0 0 359.407 2.363 50 5 FEBARN COC(=O)c1cnc(Sc2nnc(C(F)(F)F)n2C)c([N+](=O)[O-])c1 ZINC000004394890 204138703 /nfs/dbraw/zinc/13/87/03/204138703.db2.gz WYDMEGNHRZKQLK-UHFFFAOYSA-N 0 0 363.277 2.075 50 5 FEBARN COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] ZINC000004980345 204182254 /nfs/dbraw/zinc/18/22/54/204182254.db2.gz IHFNBYIEAVFRKS-UHFFFAOYSA-N 0 0 365.367 2.363 50 5 FEBARN Cc1cc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c([N+](=O)[O-])cc1C ZINC000005292580 204201638 /nfs/dbraw/zinc/20/16/38/204201638.db2.gz LZLIQEZWMDHPOG-UHFFFAOYSA-N 0 0 374.397 2.405 50 5 FEBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1NCCOCCO ZINC000005958545 204232226 /nfs/dbraw/zinc/23/22/26/204232226.db2.gz RIGUENPTINXYLC-UHFFFAOYSA-N 0 0 354.406 2.407 50 5 FEBARN CS(=O)(=O)c1ccc([S@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000006343400 204245665 /nfs/dbraw/zinc/24/56/65/204245665.db2.gz OGWSBRPTODAFCL-HSZRJFAPSA-N 0 0 370.364 2.073 50 5 FEBARN NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Cl ZINC000006638631 204257712 /nfs/dbraw/zinc/25/77/12/204257712.db2.gz QLTUCVQZKQDXTL-UHFFFAOYSA-N 0 0 373.749 2.287 50 5 FEBARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006753827 204267011 /nfs/dbraw/zinc/26/70/11/204267011.db2.gz NFGYNUABZFTVDA-UHFFFAOYSA-N 0 0 360.345 2.243 50 5 FEBARN CC(C)(C)NS(=O)(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000008149175 204319738 /nfs/dbraw/zinc/31/97/38/204319738.db2.gz YVXHSJRDFNFHSK-UHFFFAOYSA-N 0 0 371.459 2.387 50 5 FEBARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000008474899 204332478 /nfs/dbraw/zinc/33/24/78/204332478.db2.gz SDXCEVFFZYWCTB-UHFFFAOYSA-N 0 0 371.806 2.274 50 5 FEBARN Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1n[nH]c2c1CCC2 ZINC000009088332 204354723 /nfs/dbraw/zinc/35/47/23/204354723.db2.gz QXVJQDDRRYTUIS-UHFFFAOYSA-N 0 0 357.399 2.071 50 5 FEBARN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CCCN1CCOCC1 ZINC000020458405 204725242 /nfs/dbraw/zinc/72/52/42/204725242.db2.gz XJLGJUZDQWCIKP-UHFFFAOYSA-N 0 0 369.377 2.066 50 5 FEBARN Cc1nn(CC(=O)NCC2(c3ccccc3)CCOCC2)c(C)c1[N+](=O)[O-] ZINC000041407681 205090181 /nfs/dbraw/zinc/09/01/81/205090181.db2.gz CQEGAYTVECOBFN-UHFFFAOYSA-N 0 0 372.425 2.273 50 5 FEBARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052283687 205185199 /nfs/dbraw/zinc/18/51/99/205185199.db2.gz AFDYIWCBFZXLMP-JTQLQIEISA-N 0 0 365.386 2.333 50 5 FEBARN CCc1cc(NCCS(C)(=O)=O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053575958 205195022 /nfs/dbraw/zinc/19/50/22/205195022.db2.gz GVCIYFJUUOZVQE-UHFFFAOYSA-N 0 0 350.400 2.071 50 5 FEBARN O=[N+]([O-])c1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000056088676 205228163 /nfs/dbraw/zinc/22/81/63/205228163.db2.gz WPNXPOZFWPSWIT-UHFFFAOYSA-N 0 0 364.379 2.235 50 5 FEBARN Cc1occc1C(=O)N1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000058225303 205265483 /nfs/dbraw/zinc/26/54/83/205265483.db2.gz OONRYFOZRSSTRC-VOTSOKGWSA-N 0 0 369.377 2.494 50 5 FEBARN Cc1ccc2nc3c(cc(C(N)=S)c(=N)n3C3CCCC3)c(=O)n2c1 ZINC000102622314 206229900 /nfs/dbraw/zinc/22/99/00/206229900.db2.gz BGVPUNZUMNNJPH-UHFFFAOYSA-N 0 0 353.451 2.186 50 5 FEBARN O=[N+]([O-])c1ccc(-c2nnnn2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000008427379 206247780 /nfs/dbraw/zinc/24/77/80/206247780.db2.gz FPNBBOIFLKXXKL-UHFFFAOYSA-N 0 0 357.242 2.054 50 5 FEBARN C[C@@H]1CO[C@@H](CO)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967566 132216459 /nfs/dbraw/zinc/21/64/59/132216459.db2.gz MGHWVGAPJSTJII-CZUORRHYSA-N 0 0 356.378 2.412 50 5 FEBARN CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N(C)C1=O ZINC000230019159 132288753 /nfs/dbraw/zinc/28/87/53/132288753.db2.gz DODVQIAPPKTATQ-LPHOPBHVSA-N 0 0 372.425 2.410 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(c2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])C1 ZINC000013286796 132866844 /nfs/dbraw/zinc/86/68/44/132866844.db2.gz KNNUDEKFSDVUQK-LPWJVIDDSA-N 0 0 364.450 2.063 50 5 FEBARN CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000004126176 136151747 /nfs/dbraw/zinc/15/17/47/136151747.db2.gz IHURSQBRTIUYRK-UHFFFAOYSA-N 0 0 358.354 2.109 50 5 FEBARN COCCCN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O ZINC000095470774 542972599 /nfs/dbraw/zinc/97/25/99/542972599.db2.gz OBOBEEASCIAIEX-UHFFFAOYSA-N 0 0 359.294 2.289 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)C1 ZINC000245225698 525214953 /nfs/dbraw/zinc/21/49/53/525214953.db2.gz FFOLEUPIYFJTMB-IJLUTSLNSA-N 0 0 350.423 2.040 50 5 FEBARN CCOC(=O)c1cccc(N2CCC(N3CCCC3=O)CC2)c1[N+](=O)[O-] ZINC000170599619 546163437 /nfs/dbraw/zinc/16/34/37/546163437.db2.gz XFFIIXDWVRPBGS-UHFFFAOYSA-N 0 0 361.398 2.363 50 5 FEBARN O=[N+]([O-])c1cc(Br)ccc1N1CCN([C@H]2CCOC2)CC1 ZINC000084340763 571082841 /nfs/dbraw/zinc/08/28/41/571082841.db2.gz TXELOCZZNVPRLC-LBPRGKRZSA-N 0 0 356.220 2.268 50 5 FEBARN COc1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)cc1OC ZINC000000998921 539337274 /nfs/dbraw/zinc/33/72/74/539337274.db2.gz BRGJIZMWGWLMOL-UHFFFAOYSA-N 0 0 371.147 2.350 50 5 FEBARN CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000001159053 539339036 /nfs/dbraw/zinc/33/90/36/539339036.db2.gz TYJXJIOJVLRQIP-IBGZPJMESA-N 0 0 370.361 2.431 50 5 FEBARN CN1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc43)cc2[N+](=O)[O-])CC1 ZINC000004981745 539398536 /nfs/dbraw/zinc/39/85/36/539398536.db2.gz OISBSMFXCNBSCS-UHFFFAOYSA-N 0 0 365.393 2.250 50 5 FEBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000008091284 539477291 /nfs/dbraw/zinc/47/72/91/539477291.db2.gz CHRTXFBASVYYJO-UHFFFAOYSA-N 0 0 369.377 2.100 50 5 FEBARN CNc1ccc(C(=O)c2ccccc2C(=O)NCCOC)cc1[N+](=O)[O-] ZINC000012522197 539562608 /nfs/dbraw/zinc/56/26/08/539562608.db2.gz PWQOICZYDDHYGN-UHFFFAOYSA-N 0 0 357.366 2.244 50 5 FEBARN COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 ZINC000012601599 539566912 /nfs/dbraw/zinc/56/69/12/539566912.db2.gz RKJFKVIMLFVOJA-UHFFFAOYSA-N 0 0 373.321 2.159 50 5 FEBARN C[C@H](O)CNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000012633545 539568695 /nfs/dbraw/zinc/56/86/95/539568695.db2.gz MHUBODOCKXZYFW-XQQFMLRXSA-N 0 0 371.459 2.054 50 5 FEBARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1cc([N+](=O)[O-])ccc1F ZINC000012650979 539568805 /nfs/dbraw/zinc/56/88/05/539568805.db2.gz ZTKSYGRYLOULAG-UHFFFAOYSA-N 0 0 372.312 2.266 50 5 FEBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000019681842 539665168 /nfs/dbraw/zinc/66/51/68/539665168.db2.gz UOZWCNOIZWZIPG-UHFFFAOYSA-N 0 0 361.423 2.101 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000019888756 539670953 /nfs/dbraw/zinc/67/09/53/539670953.db2.gz SKDWJLISLYGYAM-UHFFFAOYSA-N 0 0 367.452 2.163 50 5 FEBARN O=C(NCc1ccc(N2CCOCC2)nc1)Nc1ccccc1[N+](=O)[O-] ZINC000024239257 539728194 /nfs/dbraw/zinc/72/81/94/539728194.db2.gz FXHOZFIGIKSOSJ-UHFFFAOYSA-N 0 0 357.370 2.148 50 5 FEBARN COc1ccc(CC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000024539003 539734000 /nfs/dbraw/zinc/73/40/00/539734000.db2.gz YKGJHVRTKQWWGY-UHFFFAOYSA-N 0 0 374.349 2.336 50 5 FEBARN CCOc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000001124075 219374741 /nfs/dbraw/zinc/37/47/41/219374741.db2.gz YNHCMHHUSRAETA-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN C[C@H]1CCCN(S(=O)(=O)c2ccc(Nc3cn[nH]c3)c([N+](=O)[O-])c2)C1 ZINC000030587660 539886451 /nfs/dbraw/zinc/88/64/51/539886451.db2.gz HHQMKYKRHUGZHA-NSHDSACASA-N 0 0 365.415 2.482 50 5 FEBARN C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000032860093 539956275 /nfs/dbraw/zinc/95/62/75/539956275.db2.gz NFQHJXWQQLTOKP-GFCCVEGCSA-N 0 0 369.381 2.190 50 5 FEBARN C[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)Cc1ccccc1 ZINC000037521177 539996619 /nfs/dbraw/zinc/99/66/19/539996619.db2.gz CZKBEIFFNOEQKK-CQSZACIVSA-N 0 0 353.378 2.401 50 5 FEBARN COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1[N+](=O)[O-] ZINC000001053653 203977109 /nfs/dbraw/zinc/97/71/09/203977109.db2.gz HSHRBHHEQAUJAR-UHFFFAOYSA-N 0 0 364.383 2.322 50 5 FEBARN O=C(NC[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002315867 204034298 /nfs/dbraw/zinc/03/42/98/204034298.db2.gz AZSDSOMCCCUXHZ-CYBMUJFWSA-N 0 0 359.294 2.073 50 5 FEBARN O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000003263131 204085323 /nfs/dbraw/zinc/08/53/23/204085323.db2.gz OCZRKLWZTYBXDG-SFHVURJKSA-N 0 0 353.334 2.325 50 5 FEBARN O=C(NOCc1ccccc1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000002796629 204057791 /nfs/dbraw/zinc/05/77/91/204057791.db2.gz XCZCGAUYEJJUKG-UHFFFAOYSA-N 0 0 353.338 2.096 50 5 FEBARN Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-] ZINC000002829266 204060557 /nfs/dbraw/zinc/06/05/57/204060557.db2.gz ILVJNOMCPUJZII-UHFFFAOYSA-N 0 0 358.379 2.129 50 5 FEBARN O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000003896285 204113731 /nfs/dbraw/zinc/11/37/31/204113731.db2.gz PEHPDTJPCFGDRU-UHFFFAOYSA-N 0 0 354.710 2.167 50 5 FEBARN Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000003387377 204097065 /nfs/dbraw/zinc/09/70/65/204097065.db2.gz URLCAOALROLTAD-UHFFFAOYSA-N 0 0 372.333 2.105 50 5 FEBARN COc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000003442134 204099987 /nfs/dbraw/zinc/09/99/87/204099987.db2.gz XHXYSDQJSGWWKD-UHFFFAOYSA-N 0 0 358.350 2.385 50 5 FEBARN O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000003437121 204100771 /nfs/dbraw/zinc/10/07/71/204100771.db2.gz FSYIVRPASWVTBG-UHFFFAOYSA-N 0 0 362.269 2.258 50 5 FEBARN CNc1ccc(C(=O)OCC(=O)NCc2ccccc2OC)cc1[N+](=O)[O-] ZINC000005363699 204204207 /nfs/dbraw/zinc/20/42/07/204204207.db2.gz CWMDNONSHDGSBB-UHFFFAOYSA-N 0 0 373.365 2.118 50 5 FEBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)cc1 ZINC000005094159 204191531 /nfs/dbraw/zinc/19/15/31/204191531.db2.gz IEQPGYTUUOOUMS-LBPRGKRZSA-N 0 0 360.374 2.310 50 5 FEBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)nn12 ZINC000005903115 204230215 /nfs/dbraw/zinc/23/02/15/204230215.db2.gz MUVLIZVBFLQJHD-GXDHUFHOSA-N 0 0 350.359 2.274 50 5 FEBARN CC(C)(C)n1nnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000008252706 204323317 /nfs/dbraw/zinc/32/33/17/204323317.db2.gz XWVUGDPVAVKKSA-UHFFFAOYSA-N 0 0 351.388 2.495 50 5 FEBARN O=C(Cc1ccccc1[N+](=O)[O-])OCCCn1c(=O)[nH]c2ccccc21 ZINC000008429052 204330662 /nfs/dbraw/zinc/33/06/62/204330662.db2.gz QGKPXKFZFSFXAZ-UHFFFAOYSA-N 0 0 355.350 2.414 50 5 FEBARN COc1cc(CCNC(=O)[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000008937921 204350908 /nfs/dbraw/zinc/35/09/08/204350908.db2.gz PEIKHWDUJBBZNG-VIFPVBQESA-N 0 0 363.197 2.465 50 5 FEBARN COc1cccc([C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]2)c2nccn2C)c1 ZINC000009314088 204362281 /nfs/dbraw/zinc/36/22/81/204362281.db2.gz ZDHWFRZKHUAJSS-HNNXBMFYSA-N 0 0 355.354 2.184 50 5 FEBARN Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cc1F ZINC000032843609 204941137 /nfs/dbraw/zinc/94/11/37/204941137.db2.gz QEBBMWPRNRZILZ-UHFFFAOYSA-N 0 0 366.370 2.376 50 5 FEBARN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ncccc1[N+](=O)[O-] ZINC000058165811 205252285 /nfs/dbraw/zinc/25/22/85/205252285.db2.gz XXMMOVRYHFRRSE-UHFFFAOYSA-N 0 0 365.411 2.299 50 5 FEBARN O=[N+]([O-])c1ccc(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000001926186 206151321 /nfs/dbraw/zinc/15/13/21/206151321.db2.gz MVNIEYHJFHZLEW-UHFFFAOYSA-N 0 0 362.407 2.207 50 5 FEBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1CCS(=O)(=O)C1 ZINC000004192426 206169648 /nfs/dbraw/zinc/16/96/48/206169648.db2.gz HLIBWHHRBRWGTJ-ZETCQYMHSA-N 0 0 369.277 2.121 50 5 FEBARN CC(C)(C)NC(=O)[C@@H]1CCCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000075110511 542153253 /nfs/dbraw/zinc/15/32/53/542153253.db2.gz BVJPPBNEZRFMDR-LBPRGKRZSA-N 0 0 362.434 2.233 50 5 FEBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000058417880 221118505 /nfs/dbraw/zinc/11/85/05/221118505.db2.gz NYDJSBQXKNJXGV-WMLDXEAASA-N 0 0 363.439 2.397 50 5 FEBARN CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)CC1 ZINC000004306081 132386746 /nfs/dbraw/zinc/38/67/46/132386746.db2.gz AWMZXKYPBZZDKM-UHFFFAOYSA-N 0 0 371.445 2.469 50 5 FEBARN CCCc1nnc(Cn2cc([N+](=O)[O-])cc(Br)c2=O)s1 ZINC000095448431 542969851 /nfs/dbraw/zinc/96/98/51/542969851.db2.gz VRGSFGVANFNQGE-UHFFFAOYSA-N 0 0 359.205 2.371 50 5 FEBARN CCc1cc(N(C)C[C@H](C)c2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095941779 542983573 /nfs/dbraw/zinc/98/35/73/542983573.db2.gz NMEAJTQJIPCBGC-NSHDSACASA-N 0 0 368.401 2.367 50 5 FEBARN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@@H]1CO ZINC000170611720 546164540 /nfs/dbraw/zinc/16/45/40/546164540.db2.gz LVRNYQCKZHVIQI-AUUYWEPGSA-N 0 0 355.394 2.419 50 5 FEBARN C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C[C@@H](C)O2 ZINC000240412862 548884539 /nfs/dbraw/zinc/88/45/39/548884539.db2.gz FOKNPJBIPBNRMB-VBHSOAQHSA-N 0 0 373.413 2.163 50 5 FEBARN CCOC(=O)c1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000000865514 539334802 /nfs/dbraw/zinc/33/48/02/539334802.db2.gz ONXFUVWVTDMVFR-UHFFFAOYSA-N 0 0 369.333 2.437 50 5 FEBARN COc1cccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000001130303 539338876 /nfs/dbraw/zinc/33/88/76/539338876.db2.gz NKTVCJWEKAPSPH-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN COc1ccc(Cn2cc(F)c(=O)n(CCC(C)C)c2=O)cc1[N+](=O)[O-] ZINC000001204650 539339594 /nfs/dbraw/zinc/33/95/94/539339594.db2.gz DODIGJPLADENAI-UHFFFAOYSA-N 0 0 365.361 2.160 50 5 FEBARN CN1CCN(c2ccc([N+](=O)[O-])c3sc4ncccc4c(=O)c23)CC1 ZINC000004709517 539390492 /nfs/dbraw/zinc/39/04/92/539390492.db2.gz MNQDUPSJQFKTSX-UHFFFAOYSA-N 0 0 356.407 2.470 50 5 FEBARN CC1(C)C([N+](=O)[O-])[C@H](c2ccccn2)N[C@H](c2ccccn2)C1[N+](=O)[O-] ZINC000012402020 539558353 /nfs/dbraw/zinc/55/83/53/539558353.db2.gz PDCGKLLRCGMRSP-SYMSYNOKSA-N 0 0 357.370 2.179 50 5 FEBARN Cc1nn(C)c2nc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc(C)c12 ZINC000012505404 539561998 /nfs/dbraw/zinc/56/19/98/539561998.db2.gz TWEPMHYCOOVYNO-UHFFFAOYSA-N 0 0 362.367 2.261 50 5 FEBARN CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000012861091 539576725 /nfs/dbraw/zinc/57/67/25/539576725.db2.gz GGGKSMBRPCSFPP-CQSZACIVSA-N 0 0 373.365 2.096 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2ccc(C)cc2n1 ZINC000018377234 539649177 /nfs/dbraw/zinc/64/91/77/539649177.db2.gz RKXBVBCYPRHAAL-UHFFFAOYSA-N 0 0 369.333 2.277 50 5 FEBARN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 ZINC000021821815 539687965 /nfs/dbraw/zinc/68/79/65/539687965.db2.gz JKICJQKNLPETJK-NXEZZACHSA-N 0 0 372.219 2.405 50 5 FEBARN O=[N+]([O-])c1ccc([C@@H](O)CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000023074446 539705320 /nfs/dbraw/zinc/70/53/20/539705320.db2.gz JVCPUBDCNSLDEN-JTQLQIEISA-N 0 0 368.275 2.197 50 5 FEBARN O=C(NCCCSc1ccc(F)cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000024730427 539739156 /nfs/dbraw/zinc/73/91/56/539739156.db2.gz NPCIXNATXGOQKJ-UHFFFAOYSA-N 0 0 351.359 2.334 50 5 FEBARN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NS(C)(=O)=O ZINC000024840929 539742165 /nfs/dbraw/zinc/74/21/65/539742165.db2.gz PUHCXGCYEXANSB-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN COc1ccc(CN(C)C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000025386843 539758906 /nfs/dbraw/zinc/75/89/06/539758906.db2.gz XCMRWKWBLLQSRO-UHFFFAOYSA-N 0 0 371.393 2.300 50 5 FEBARN O=[N+]([O-])c1cn(CCS(=O)(=O)c2ccc(Br)cc2)cn1 ZINC000025586802 539763521 /nfs/dbraw/zinc/76/35/21/539763521.db2.gz BRHQVYBBBPHFHX-UHFFFAOYSA-N 0 0 360.189 2.028 50 5 FEBARN Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026011860 539775016 /nfs/dbraw/zinc/77/50/16/539775016.db2.gz UAXJFQGNRQHUOB-LLVKDONJSA-N 0 0 360.322 2.349 50 5 FEBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc(Nc3cn[nH]c3)c([N+](=O)[O-])c2)C1 ZINC000030587659 539886214 /nfs/dbraw/zinc/88/62/14/539886214.db2.gz HHQMKYKRHUGZHA-LLVKDONJSA-N 0 0 365.415 2.482 50 5 FEBARN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000032825323 539955387 /nfs/dbraw/zinc/95/53/87/539955387.db2.gz LBBUPTNXTZSLEA-UHFFFAOYSA-N 0 0 370.409 2.489 50 5 FEBARN CCOC(=O)CN(CC(C)C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000041629691 540028717 /nfs/dbraw/zinc/02/87/17/540028717.db2.gz SFJSQXKDXRGZQD-UHFFFAOYSA-N 0 0 358.416 2.113 50 5 FEBARN Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000003502935 219516034 /nfs/dbraw/zinc/51/60/34/219516034.db2.gz UTOBWDJNECWBDD-UHFFFAOYSA-N 0 0 370.325 2.364 50 5 FEBARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003504868 219515205 /nfs/dbraw/zinc/51/52/05/219515205.db2.gz NIYAEQMUGMTNGJ-UHFFFAOYSA-N 0 0 357.750 2.029 50 5 FEBARN Cc1cccc(OCCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)c1 ZINC000009221303 219876579 /nfs/dbraw/zinc/87/65/79/219876579.db2.gz WUEDGDRGIPSCMC-UHFFFAOYSA-N 0 0 365.411 2.432 50 5 FEBARN CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000010255985 204002374 /nfs/dbraw/zinc/00/23/74/204002374.db2.gz IBWWWNJPQMILEQ-NLZINVLXSA-N 0 0 351.362 2.312 50 5 FEBARN O=c1oc2cc(Cl)ccc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001509400 204011164 /nfs/dbraw/zinc/01/11/64/204011164.db2.gz UKGIIBSJGNLYCG-UHFFFAOYSA-N 0 0 354.727 2.393 50 5 FEBARN CN(C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000010335362 204012031 /nfs/dbraw/zinc/01/20/31/204012031.db2.gz YEAIJGNKFVYBPL-HNNXBMFYSA-N 0 0 367.402 2.315 50 5 FEBARN CC(C)C[C@@]1(C)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O ZINC000002642679 204049072 /nfs/dbraw/zinc/04/90/72/204049072.db2.gz KZUHWYWEXVHQAF-QGZVFWFLSA-N 0 0 363.370 2.318 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000002735241 204053277 /nfs/dbraw/zinc/05/32/77/204053277.db2.gz XMBNOLRKKGZFMP-UHFFFAOYSA-N 0 0 364.379 2.157 50 5 FEBARN Cc1cc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)nn1C ZINC000002782423 204057455 /nfs/dbraw/zinc/05/74/55/204057455.db2.gz YRVQFSFWKNITLR-UHFFFAOYSA-N 0 0 372.385 2.021 50 5 FEBARN Cn1ccc2c(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cccc2c1=O ZINC000004584010 204147892 /nfs/dbraw/zinc/14/78/92/204147892.db2.gz ZIFINGUBSZCTSS-UHFFFAOYSA-N 0 0 353.334 2.464 50 5 FEBARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004317492 204132870 /nfs/dbraw/zinc/13/28/70/204132870.db2.gz SGXMFXSXALGUTH-UHFFFAOYSA-N 0 0 358.741 2.415 50 5 FEBARN CCCOCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000004913300 204175484 /nfs/dbraw/zinc/17/54/84/204175484.db2.gz QVAVWMPSJXQMGT-CQSZACIVSA-N 0 0 362.382 2.442 50 5 FEBARN O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000005014172 204184497 /nfs/dbraw/zinc/18/44/97/204184497.db2.gz DDSJMKSGMVGFRE-UHFFFAOYSA-N 0 0 374.357 2.440 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCC2(CC1)OCCO2 ZINC000005041765 204186805 /nfs/dbraw/zinc/18/68/05/204186805.db2.gz YKNLSJDPWSJOSH-UHFFFAOYSA-N 0 0 353.400 2.139 50 5 FEBARN Cc1ccc(-c2nnn(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)n2)cc1 ZINC000005036522 204187118 /nfs/dbraw/zinc/18/71/18/204187118.db2.gz YGJDXRQGWXNBJV-UHFFFAOYSA-N 0 0 356.317 2.335 50 5 FEBARN Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccc(Br)cn1 ZINC000006275657 204242852 /nfs/dbraw/zinc/24/28/52/204242852.db2.gz YIMJXFGZGBQLGX-UHFFFAOYSA-N 0 0 354.164 2.286 50 5 FEBARN O=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000006552348 204253901 /nfs/dbraw/zinc/25/39/01/204253901.db2.gz GQSXMRYZVQPANB-UHFFFAOYSA-N 0 0 364.379 2.408 50 5 FEBARN CCCCCCC(=O)Nc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C ZINC000006818702 204274035 /nfs/dbraw/zinc/27/40/35/204274035.db2.gz FEDAESAZSRKJEZ-UHFFFAOYSA-N 0 0 355.398 2.377 50 5 FEBARN O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000007718551 204303952 /nfs/dbraw/zinc/30/39/52/204303952.db2.gz WWKPIQCLFKGSEY-HZPDHXFCSA-N 0 0 373.390 2.207 50 5 FEBARN COC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000008919338 204348438 /nfs/dbraw/zinc/34/84/38/204348438.db2.gz YROOYSKRBUCLCO-UHFFFAOYSA-N 0 0 372.333 2.485 50 5 FEBARN Cc1cc(OCC(=O)N(CCC(N)=O)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000010346561 204394443 /nfs/dbraw/zinc/39/44/43/204394443.db2.gz WXKVDKZAKUKHQY-UHFFFAOYSA-N 0 0 371.393 2.186 50 5 FEBARN C[C@@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000012587155 204478033 /nfs/dbraw/zinc/47/80/33/204478033.db2.gz HCXISSAIBYJEKK-BETUJISGSA-N 0 0 350.371 2.306 50 5 FEBARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000024259524 204817345 /nfs/dbraw/zinc/81/73/45/204817345.db2.gz ZLZQWWLHOTXFCW-GOSISDBHSA-N 0 0 355.394 2.398 50 5 FEBARN COC(=O)CNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(C)c21 ZINC000036618337 205017836 /nfs/dbraw/zinc/01/78/36/205017836.db2.gz SSNYDAPRVIOLOX-UHFFFAOYSA-N 0 0 370.321 2.009 50 5 FEBARN O=C(NCC(F)(F)F)c1cc([N+](=O)[O-])ccc1I ZINC000037253319 205024616 /nfs/dbraw/zinc/02/46/16/205024616.db2.gz PHCKBDGOWFBFBT-UHFFFAOYSA-N 0 0 374.056 2.492 50 5 FEBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CCS(=O)(=O)C1CCCC1 ZINC000048252863 205153624 /nfs/dbraw/zinc/15/36/24/205153624.db2.gz XBEXCUYCVOTLOY-UHFFFAOYSA-N 0 0 354.428 2.301 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000054991783 205202727 /nfs/dbraw/zinc/20/27/27/205202727.db2.gz LDFXJTXXVZTHRV-OAHLLOKOSA-N 0 0 365.455 2.257 50 5 FEBARN CCN(C)S(=O)(=O)c1c(C)nn(Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000058173043 205253869 /nfs/dbraw/zinc/25/38/69/205253869.db2.gz ORQGHUQJLJKVMT-UHFFFAOYSA-N 0 0 366.443 2.405 50 5 FEBARN Cc1ccn2c(c1)nc(SCC(=O)Nc1ccc([N+](=O)[O-])cc1)nc2=O ZINC000004503853 206176778 /nfs/dbraw/zinc/17/67/78/206176778.db2.gz MSQGHYZMMCSCKJ-UHFFFAOYSA-N 0 0 371.378 2.037 50 5 FEBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000054990027 206337595 /nfs/dbraw/zinc/33/75/95/206337595.db2.gz HXXKWUOIRFZZPE-UHFFFAOYSA-N 0 0 357.370 2.102 50 5 FEBARN CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000021327395 206354430 /nfs/dbraw/zinc/35/44/30/206354430.db2.gz JYSJQICKWJRYPK-JTQLQIEISA-N 0 0 361.358 2.138 50 5 FEBARN CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022278947 206370933 /nfs/dbraw/zinc/37/09/33/206370933.db2.gz CVROGLLZXXDFAN-UHFFFAOYSA-N 0 0 350.352 2.144 50 5 FEBARN C[C@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000095456933 132211388 /nfs/dbraw/zinc/21/13/88/132211388.db2.gz UNIAZJUEZKSXIM-GFCCVEGCSA-N 0 0 373.388 2.111 50 5 FEBARN CCc1nnc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)s1 ZINC000004895688 132254998 /nfs/dbraw/zinc/25/49/98/132254998.db2.gz XGDUDAVVHXVELS-UHFFFAOYSA-N 0 0 363.399 2.098 50 5 FEBARN CC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001110358 132380154 /nfs/dbraw/zinc/38/01/54/132380154.db2.gz ZNRUGYGFNQGSIT-INIZCTEOSA-N 0 0 368.349 2.297 50 5 FEBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000002440238 132383472 /nfs/dbraw/zinc/38/34/72/132383472.db2.gz BLSOXEDSWXUHLC-UHFFFAOYSA-N 0 0 357.414 2.229 50 5 FEBARN C[C@@H]1CN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000006571796 136151822 /nfs/dbraw/zinc/15/18/22/136151822.db2.gz QUZSTUAYGZBXHS-GHMZBOCLSA-N 0 0 350.423 2.325 50 5 FEBARN O=C(CNC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)NCc1ccco1 ZINC000095456086 542971025 /nfs/dbraw/zinc/97/10/25/542971025.db2.gz GODMQXLYOYYSRQ-UHFFFAOYSA-N 0 0 352.734 2.279 50 5 FEBARN CCOCCCn1c(=N)c(C(=[NH2+])[S-])cc2c1nc1c(C)cccn1c2=O ZINC000100642157 543025601 /nfs/dbraw/zinc/02/56/01/543025601.db2.gz FNYOQWPTWAKZSS-UHFFFAOYSA-N 0 0 371.466 2.119 50 5 FEBARN Cc1cccn2c1nc1c(cc(C(=O)NC3CCCCC3)c(=N)n1C)c2=O ZINC000100861074 543025858 /nfs/dbraw/zinc/02/58/58/543025858.db2.gz VIIOSLXDHJVGFQ-UHFFFAOYSA-N 0 0 365.437 2.037 50 5 FEBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccc(F)cc1 ZINC000100877153 543025915 /nfs/dbraw/zinc/02/59/15/543025915.db2.gz DLCOVGZXKOQURS-HIFRSBDPSA-N 0 0 355.281 2.026 50 5 FEBARN COC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000089434973 522093430 /nfs/dbraw/zinc/09/34/30/522093430.db2.gz DNTJPYJMYQNGKS-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN O=c1c(=Cc2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3)n12 ZINC000252668749 549676953 /nfs/dbraw/zinc/67/69/53/549676953.db2.gz FLQLFPONYNJGAF-UHFFFAOYSA-N 0 0 350.359 2.274 50 5 FEBARN Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1cccc2ccccc21 ZINC000000679622 539332384 /nfs/dbraw/zinc/33/23/84/539332384.db2.gz GJGLHGVCTLNDNY-UHFFFAOYSA-N 0 0 354.355 2.003 50 5 FEBARN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000004904939 539395497 /nfs/dbraw/zinc/39/54/97/539395497.db2.gz SPTCIQOUGOHNBH-UHFFFAOYSA-N 0 0 353.425 2.167 50 5 FEBARN Cc1ccc(-n2nnnc2CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000009570325 539504857 /nfs/dbraw/zinc/50/48/57/539504857.db2.gz SRABGQXTSCAKGR-UHFFFAOYSA-N 0 0 366.381 2.046 50 5 FEBARN CN(Cc1ccc2c(c1)OCCO2)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000009413235 539502144 /nfs/dbraw/zinc/50/21/44/539502144.db2.gz GTWBDUNNFDVMIV-UHFFFAOYSA-N 0 0 368.349 2.239 50 5 FEBARN O=[N+]([O-])c1c2nonc2c(Nc2ccc3c(c2)OCCO3)cc1NCCO ZINC000009434322 539502561 /nfs/dbraw/zinc/50/25/61/539502561.db2.gz PEVTUGMTXNANAX-UHFFFAOYSA-N 0 0 373.325 2.050 50 5 FEBARN CCCCN(C)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O ZINC000012464989 539561350 /nfs/dbraw/zinc/56/13/50/539561350.db2.gz QCRJZKCDEVGEPX-KRWDZBQOSA-N 0 0 371.393 2.439 50 5 FEBARN CCCCN(C)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000012526931 539563451 /nfs/dbraw/zinc/56/34/51/539563451.db2.gz TYVINLGDESPLSR-UHFFFAOYSA-N 0 0 362.430 2.135 50 5 FEBARN C[C@@H](O)CNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000012633542 539569070 /nfs/dbraw/zinc/56/90/70/539569070.db2.gz MHUBODOCKXZYFW-FRRDWIJNSA-N 0 0 371.459 2.054 50 5 FEBARN COc1cc(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc(OC)c1 ZINC000012736695 539572080 /nfs/dbraw/zinc/57/20/80/539572080.db2.gz YBDIFMNMNCPTRB-UHFFFAOYSA-N 0 0 353.356 2.003 50 5 FEBARN COc1ccc(NC(=O)NCCCOC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000014201227 539599164 /nfs/dbraw/zinc/59/91/64/539599164.db2.gz IADJYFSTGVLKBB-ZDUSSCGKSA-N 0 0 353.375 2.311 50 5 FEBARN CN(C[C@@H]1COc2ccccc2O1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000018188306 539647829 /nfs/dbraw/zinc/64/78/29/539647829.db2.gz VXYQGYBRDOSRJA-CYBMUJFWSA-N 0 0 358.350 2.272 50 5 FEBARN Cn1c2ncn(Cc3nc4ccccc4c4ccccc43)c2c(=O)n(C)c1=O ZINC000020041997 539671794 /nfs/dbraw/zinc/67/17/94/539671794.db2.gz RFOXIGODYAVGOZ-UHFFFAOYSA-N 0 0 371.400 2.183 50 5 FEBARN Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000026011927 539774985 /nfs/dbraw/zinc/77/49/85/539774985.db2.gz YYADJULUKJBLHY-LLVKDONJSA-N 0 0 360.322 2.349 50 5 FEBARN CCOc1ncccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000028041821 539824535 /nfs/dbraw/zinc/82/45/35/539824535.db2.gz SQRBEOPERGKQLK-UHFFFAOYSA-N 0 0 351.384 2.175 50 5 FEBARN CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000029767466 539863987 /nfs/dbraw/zinc/86/39/87/539863987.db2.gz XWIOASAWDFYFDL-INIZCTEOSA-N 0 0 355.350 2.057 50 5 FEBARN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)sc1SCC(N)=O ZINC000031797988 539919466 /nfs/dbraw/zinc/91/94/66/539919466.db2.gz KHRJCIVRACEATQ-UHFFFAOYSA-N 0 0 352.397 2.189 50 5 FEBARN Cc1c(Cl)cc(S(=O)(=O)NCCC(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000032811132 539954741 /nfs/dbraw/zinc/95/47/41/539954741.db2.gz TUUNHRIULYZMMU-UHFFFAOYSA-N 0 0 364.807 2.177 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000038946830 540001507 /nfs/dbraw/zinc/00/15/07/540001507.db2.gz ZSKLRRXIMMLZQS-HUUCEWRRSA-N 0 0 369.377 2.276 50 5 FEBARN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000072285620 541797605 /nfs/dbraw/zinc/79/76/05/541797605.db2.gz IYNBFNISFFGUBV-UHFFFAOYSA-N 0 0 370.369 2.108 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(Br)cnn1C ZINC000000974795 203968537 /nfs/dbraw/zinc/96/85/37/203968537.db2.gz UEZPFVJKVSOLMD-UHFFFAOYSA-N 0 0 355.148 2.352 50 5 FEBARN COc1cccc(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000010017212 204000050 /nfs/dbraw/zinc/00/00/50/204000050.db2.gz BDCJHLHPNSVBLW-UHFFFAOYSA-N 0 0 357.366 2.209 50 5 FEBARN COc1ccc(OCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000010291783 204008013 /nfs/dbraw/zinc/00/80/13/204008013.db2.gz KGADJDLABJKZDI-UHFFFAOYSA-N 0 0 374.349 2.183 50 5 FEBARN O=C(NCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001750504 204018254 /nfs/dbraw/zinc/01/82/54/204018254.db2.gz XHFWWPFWSUJCDP-UHFFFAOYSA-N 0 0 355.310 2.352 50 5 aggregator FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2sc(C)cc2c1=O ZINC000002927714 204069079 /nfs/dbraw/zinc/06/90/79/204069079.db2.gz WXFDXTNCBNCRCG-UHFFFAOYSA-N 0 0 374.378 2.322 50 5 FEBARN CCOC(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000003897693 204114488 /nfs/dbraw/zinc/11/44/88/204114488.db2.gz OYWRJNHQBXRTAM-UHFFFAOYSA-N 0 0 360.282 2.327 50 5 FEBARN COC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n(C)c2C)cc([N+](=O)[O-])c1 ZINC000003533118 204106267 /nfs/dbraw/zinc/10/62/67/204106267.db2.gz IHZSWARXRBAXKH-UHFFFAOYSA-N 0 0 374.349 2.376 50 5 FEBARN COc1ccccc1OC[C@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004681776 204154614 /nfs/dbraw/zinc/15/46/14/204154614.db2.gz MPQLNHWRKVGWEX-CYBMUJFWSA-N 0 0 360.366 2.082 50 5 FEBARN C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1cc([N+](=O)[O-])cn1 ZINC000004686742 204155451 /nfs/dbraw/zinc/15/54/51/204155451.db2.gz RCQQPRORVSFHFR-MRVPVSSYSA-N 0 0 363.399 2.030 50 5 FEBARN Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c([N+](=O)[O-])c1 ZINC000004718302 204157848 /nfs/dbraw/zinc/15/78/48/204157848.db2.gz DRAUHEMCYXPYEG-UHFFFAOYSA-N 0 0 356.294 2.477 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1c(F)cc(F)cc1Br ZINC000004820828 204167294 /nfs/dbraw/zinc/16/72/94/204167294.db2.gz GYNKFXDOGJMUQX-UHFFFAOYSA-N 0 0 361.102 2.471 50 5 FEBARN CC1(C)C[C@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004919613 204176660 /nfs/dbraw/zinc/17/66/60/204176660.db2.gz ORTJRBCICRYFRO-VIFPVBQESA-N 0 0 351.384 2.140 50 5 FEBARN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000006276508 204243866 /nfs/dbraw/zinc/24/38/66/204243866.db2.gz CNALEERZRPMCGF-UHFFFAOYSA-N 0 0 369.303 2.299 50 5 FEBARN CCC(=O)c1ccc(OCC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007842773 204309395 /nfs/dbraw/zinc/30/93/95/204309395.db2.gz HWXBBDDAHORKRI-SFHVURJKSA-N 0 0 372.377 2.416 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)nc1n2CCOC1 ZINC000008643009 204337097 /nfs/dbraw/zinc/33/70/97/204337097.db2.gz CARATNWGTJUKMG-UHFFFAOYSA-N 0 0 368.349 2.492 50 5 FEBARN O=C(CN1CCc2cc([N+](=O)[O-])ccc21)Nc1ccc2c(c1)OCCO2 ZINC000008780483 204345949 /nfs/dbraw/zinc/34/59/49/204345949.db2.gz HMTXBRGEZYJFEC-UHFFFAOYSA-N 0 0 355.350 2.367 50 5 FEBARN COc1cccc(NC(=O)CN(C)c2nc3sccn3c2[N+](=O)[O-])c1 ZINC000009115932 204353724 /nfs/dbraw/zinc/35/37/24/204353724.db2.gz QFIUJZLKPNDWFJ-UHFFFAOYSA-N 0 0 361.383 2.388 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000010422987 204396130 /nfs/dbraw/zinc/39/61/30/204396130.db2.gz XMRDCQAYJTWUMG-UHFFFAOYSA-N 0 0 372.312 2.498 50 5 FEBARN Cc1ccc(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000018244159 204662465 /nfs/dbraw/zinc/66/24/65/204662465.db2.gz FTDYQMSFZJWCGX-STQMWFEESA-N 0 0 357.366 2.183 50 5 FEBARN COc1ccc(S(=O)(=O)N[C@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000057652274 205244329 /nfs/dbraw/zinc/24/43/29/205244329.db2.gz AKEDHKBWHSQWLF-ZDUSSCGKSA-N 0 0 364.379 2.406 50 5 FEBARN COc1ccc2c(c1)CCN2C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000058904825 205279215 /nfs/dbraw/zinc/27/92/15/205279215.db2.gz CFDIFFWATLRUCS-LBPRGKRZSA-N 0 0 369.377 2.311 50 5 FEBARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000005314766 206194103 /nfs/dbraw/zinc/19/41/03/206194103.db2.gz FVGKSFVQKUUWIS-UHFFFAOYSA-N 0 0 361.379 2.387 50 5 FEBARN COc1ccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)cc1 ZINC000000786387 206223728 /nfs/dbraw/zinc/22/37/28/206223728.db2.gz YHWAHRZGLQWYRE-UHFFFAOYSA-N 0 0 355.148 2.201 50 5 FEBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000103555639 206234373 /nfs/dbraw/zinc/23/43/73/206234373.db2.gz BKCHBGKVJZTYME-GOEBONIOSA-N 0 0 369.308 2.335 50 5 FEBARN CN(Cc1ccc(C(=O)NC2CC2)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000012538207 206291842 /nfs/dbraw/zinc/29/18/42/206291842.db2.gz DRIOCDQVVVBECM-UHFFFAOYSA-N 0 0 368.393 2.222 50 5 FEBARN COc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000015922777 206317066 /nfs/dbraw/zinc/31/70/66/206317066.db2.gz HENOHTWLPVSIRV-UHFFFAOYSA-N 0 0 369.377 2.461 50 5 FEBARN CCOC(=O)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000016956652 206321851 /nfs/dbraw/zinc/32/18/51/206321851.db2.gz IHVILFDGNDTREQ-UHFFFAOYSA-N 0 0 365.367 2.174 50 5 FEBARN CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000018156415 206324435 /nfs/dbraw/zinc/32/44/35/206324435.db2.gz DXNYYIBXKJJPOI-UHFFFAOYSA-N 0 0 372.333 2.367 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc2c(c1)OCO2 ZINC000022278961 206369687 /nfs/dbraw/zinc/36/96/87/206369687.db2.gz ZRHABMAWVMXWPN-UHFFFAOYSA-N 0 0 364.379 2.453 50 5 FEBARN C[C@H]1CO[C@H](CO)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967565 132216427 /nfs/dbraw/zinc/21/64/27/132216427.db2.gz MGHWVGAPJSTJII-BBRMVZONSA-N 0 0 356.378 2.412 50 5 FEBARN CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N(C)C1=O ZINC000230019154 132288590 /nfs/dbraw/zinc/28/85/90/132288590.db2.gz DODVQIAPPKTATQ-QFBILLFUSA-N 0 0 372.425 2.410 50 5 FEBARN COc1ccc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000009736044 132847116 /nfs/dbraw/zinc/84/71/16/132847116.db2.gz XYIFYPDLOADWAP-UHFFFAOYSA-N 0 0 371.397 2.030 50 5 FEBARN COC(=O)[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000089919306 542772719 /nfs/dbraw/zinc/77/27/19/542772719.db2.gz SEZVLXRYHRZOJH-UKRRQHHQSA-N 0 0 374.390 2.134 50 5 FEBARN Cc1sc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1[N+](=O)[O-] ZINC000036391447 132939508 /nfs/dbraw/zinc/93/95/08/132939508.db2.gz VYRQVIPSBZNHMK-UHFFFAOYSA-N 0 0 360.395 2.153 50 5 FEBARN O=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000052537443 136124518 /nfs/dbraw/zinc/12/45/18/136124518.db2.gz HZXWIUKBVNWHOE-UHFFFAOYSA-N 0 0 358.373 2.495 50 5 FEBARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000028924215 136153475 /nfs/dbraw/zinc/15/34/75/136153475.db2.gz RDBDDNVSUGMKNV-SFHVURJKSA-N 0 0 368.393 2.240 50 5 FEBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3cccc(C)c3)[n+]2[O-])cc1 ZINC000005005455 263337812 /nfs/dbraw/zinc/33/78/12/263337812.db2.gz HHODGBWANWRKBA-UHFFFAOYSA-N 0 0 369.381 2.386 50 5 FEBARN O=C(NCCc1ccc(O)cc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000020648844 526411068 /nfs/dbraw/zinc/41/10/68/526411068.db2.gz XVPIZZVBGISNQC-HNNXBMFYSA-N 0 0 370.409 2.271 50 5 FEBARN CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)OCC)c1=O ZINC000261492301 549731454 /nfs/dbraw/zinc/73/14/54/549731454.db2.gz SEWGXIFHYUZGGG-UHFFFAOYSA-N 0 0 360.322 2.099 50 5 FEBARN O=C(C=S([O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC1CCCCC1 ZINC000001796126 119338695 /nfs/dbraw/zinc/33/86/95/119338695.db2.gz LZNCMEXOWZXVEV-DEOSSOPVSA-N 0 0 356.356 2.487 50 5 FEBARN Cn1c2c(cn3c2c(-c2ccncc2)nc2ccccc23)c(=O)n(C)c1=O ZINC000000804799 539334060 /nfs/dbraw/zinc/33/40/60/539334060.db2.gz NFGKVQVVBGECTQ-UHFFFAOYSA-N 0 0 357.373 2.100 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000002702788 539351638 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371.324 2.384 50 5 FEBARN COc1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000004368289 539383716 /nfs/dbraw/zinc/38/37/16/539383716.db2.gz YAJPGBJXFZECRS-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN O=C(Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O)NCc1ccccc1 ZINC000005400523 539410479 /nfs/dbraw/zinc/41/04/79/539410479.db2.gz CEYJMKHZIFAZLB-UHFFFAOYSA-N 0 0 364.361 2.135 50 5 FEBARN CS(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000010044495 539511315 /nfs/dbraw/zinc/51/13/15/539511315.db2.gz PMAXKPFFNSHQEH-UHFFFAOYSA-N 0 0 367.349 2.132 50 5 FEBARN CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1nc2ccccc2s1 ZINC000012934832 539579472 /nfs/dbraw/zinc/57/94/72/539579472.db2.gz DNRUZMOTVWSUGB-UHFFFAOYSA-N 0 0 358.379 2.419 50 5 FEBARN Cc1nn(C)c(C)c1CNC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013961527 539593077 /nfs/dbraw/zinc/59/30/77/539593077.db2.gz JASVHOBRQDYXRD-UHFFFAOYSA-N 0 0 371.441 2.478 50 5 FEBARN O=C(CSc1nccc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000015379103 539617463 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CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000026911576 539797203 /nfs/dbraw/zinc/79/72/03/539797203.db2.gz DVLGCHHTBAQEKB-UHFFFAOYSA-N 0 0 364.402 2.086 50 5 FEBARN COC(=O)c1ccc(OCC(=O)Nc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000024938094 209721611 /nfs/dbraw/zinc/72/16/11/209721611.db2.gz XHDMORZWFZJBNA-UHFFFAOYSA-N 0 0 351.340 2.164 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000052507900 540469915 /nfs/dbraw/zinc/46/99/15/540469915.db2.gz DIPUKPJVMBHDPP-LLVKDONJSA-N 0 0 365.386 2.485 50 5 FEBARN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000012734719 209572555 /nfs/dbraw/zinc/57/25/55/209572555.db2.gz YJMPACHPYAHKHL-ZDUSSCGKSA-N 0 0 372.356 2.388 50 5 FEBARN CCCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000004504713 209424057 /nfs/dbraw/zinc/42/40/57/209424057.db2.gz VOYPNZDMDXOOSC-CQSZACIVSA-N 0 0 354.428 2.333 50 5 FEBARN COc1cc(CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC ZINC000003173657 209398699 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O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCCCC1)n1ccccc1=O ZINC000000819361 206835455 /nfs/dbraw/zinc/83/54/55/206835455.db2.gz CZZHQCCMSAOTPE-QGZVFWFLSA-N 0 0 369.377 2.193 50 5 FEBARN C[C@H]1Cc2ccccc2N1C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000003377495 206974791 /nfs/dbraw/zinc/97/47/91/206974791.db2.gz NXTUYASPFNDIJE-LBPRGKRZSA-N 0 0 364.361 2.283 50 5 FEBARN CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004090133 207000225 /nfs/dbraw/zinc/00/02/25/207000225.db2.gz VIINMUUEYGBVJQ-UHFFFAOYSA-N 0 0 365.367 2.032 50 5 FEBARN CCOc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000004194971 207005799 /nfs/dbraw/zinc/00/57/99/207005799.db2.gz UIIYSTGUWNZHOT-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)c1 ZINC000005032388 207073273 /nfs/dbraw/zinc/07/32/73/207073273.db2.gz AVNHZBDKLXKUJX-GFCCVEGCSA-N 0 0 360.374 2.310 50 5 FEBARN COc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000005451257 207100226 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Nc1nc(N2CCOCC2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000004306318 132386774 /nfs/dbraw/zinc/38/67/74/132386774.db2.gz HOVCJVUQBFPDKO-UHFFFAOYSA-N 0 0 350.766 2.201 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(OC)c(Cl)c2)c1=O ZINC000089457494 542764183 /nfs/dbraw/zinc/76/41/83/542764183.db2.gz OJXVNJVSFSNWCG-UHFFFAOYSA-N 0 0 352.730 2.253 50 5 FEBARN CCN1CCN(c2nc(Nc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])CC1 ZINC000009288200 132845181 /nfs/dbraw/zinc/84/51/81/132845181.db2.gz GMFYWOJUKGIRKM-UHFFFAOYSA-N 0 0 357.418 2.161 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000010030008 132847816 /nfs/dbraw/zinc/84/78/16/132847816.db2.gz ILMNAYAJDDFJLC-NSHDSACASA-N 0 0 371.349 2.356 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000029411451 132920192 /nfs/dbraw/zinc/92/01/92/132920192.db2.gz WXDHETYREQPFEV-UHFFFAOYSA-N 0 0 365.386 2.439 50 5 FEBARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000052537397 136124519 /nfs/dbraw/zinc/12/45/19/136124519.db2.gz YWUCZDXFXXGKNM-UHFFFAOYSA-N 0 0 358.373 2.495 50 5 FEBARN COC(=O)/C=C\c1ccc(N[C@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000804812877 674302023 /nfs/dbraw/zinc/30/20/23/674302023.db2.gz BSXQDUNSGVIBJF-JPVGGKMYSA-N 0 0 368.411 2.159 50 5 FEBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000247815829 523787937 /nfs/dbraw/zinc/78/79/37/523787937.db2.gz GCFVPEYBEXLNLH-SCRDCRAPSA-N 0 0 368.411 2.090 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c1C ZINC000252476984 525556538 /nfs/dbraw/zinc/55/65/38/525556538.db2.gz GABPDSDHKCOFNM-HIFRSBDPSA-N 0 0 367.471 2.459 50 5 FEBARN COc1ccccc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004046160 537016869 /nfs/dbraw/zinc/01/68/69/537016869.db2.gz ZURWWOYAHFHQRR-UHFFFAOYSA-N 0 0 355.394 2.495 50 5 FEBARN COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 ZINC000001184060 539339960 /nfs/dbraw/zinc/33/99/60/539339960.db2.gz FRPZGQIGEWDMSD-LLVKDONJSA-N 0 0 370.159 2.158 50 5 FEBARN CNS(=O)(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002853326 539354602 /nfs/dbraw/zinc/35/46/02/539354602.db2.gz UHRQBGPWUPBZPA-UHFFFAOYSA-N 0 0 366.424 2.312 50 5 FEBARN O=C(OCn1nnc2ccccc2c1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004119671 539377426 /nfs/dbraw/zinc/37/74/26/539377426.db2.gz HXJIVHICMOPWTI-UHFFFAOYSA-N 0 0 360.713 2.168 50 5 FEBARN COc1ccc(N2C[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])CC2=O)cc1 ZINC000004497180 539385318 /nfs/dbraw/zinc/38/53/18/539385318.db2.gz WQUPBKUHZYFPCD-LBPRGKRZSA-N 0 0 355.350 2.139 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004497430 539385489 /nfs/dbraw/zinc/38/54/89/539385489.db2.gz KHNXLWSJQQQULM-AWEZNQCLSA-N 0 0 357.341 2.198 50 5 FEBARN O=C(Nc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004895850 539395058 /nfs/dbraw/zinc/39/50/58/539395058.db2.gz YXBNCDIPCSPPEY-UHFFFAOYSA-N 0 0 371.349 2.412 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)C1 ZINC000005033404 539400438 /nfs/dbraw/zinc/40/04/38/539400438.db2.gz FFOLEUPIYFJTMB-UTUOFQBUSA-N 0 0 350.423 2.040 50 5 FEBARN COc1cccc(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000005930904 539419839 /nfs/dbraw/zinc/41/98/39/539419839.db2.gz ZAGGCEVUVAOPLR-UHFFFAOYSA-N 0 0 355.394 2.495 50 5 FEBARN O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006218010 539424094 /nfs/dbraw/zinc/42/40/94/539424094.db2.gz LMKOZSLOKVILQR-UHFFFAOYSA-N 0 0 366.761 2.051 50 5 FEBARN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O ZINC000008844917 539493080 /nfs/dbraw/zinc/49/30/80/539493080.db2.gz KSYDHHQYPHZTRH-DIFFPNOSSA-N 0 0 360.370 2.034 50 5 FEBARN COc1ccccc1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000010327889 539516414 /nfs/dbraw/zinc/51/64/14/539516414.db2.gz MJWCVFNPYDQVGF-UHFFFAOYSA-N 0 0 357.366 2.209 50 5 FEBARN CCOC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000012522839 539562106 /nfs/dbraw/zinc/56/21/06/539562106.db2.gz NBOJMMBOMWUNMG-UHFFFAOYSA-N 0 0 356.382 2.493 50 5 FEBARN O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 ZINC000014899631 539607273 /nfs/dbraw/zinc/60/72/73/539607273.db2.gz BJJROPLYUBGFLA-CYBMUJFWSA-N 0 0 357.366 2.353 50 5 FEBARN O=C(c1n[nH]c2ccccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382292 539617004 /nfs/dbraw/zinc/61/70/04/539617004.db2.gz FJLWISWFYGNZSW-UHFFFAOYSA-N 0 0 351.366 2.434 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)o2)c(C)c1[N+](=O)[O-] ZINC000018142026 539647189 /nfs/dbraw/zinc/64/71/89/539647189.db2.gz METDOOFWYYRSEZ-PHIMTYICSA-N 0 0 362.386 2.299 50 5 FEBARN O=[N+]([O-])C12CN(Cc3ccccc3)CN(CN(Cc3ccccc3)C1)C2 ZINC000019313035 539655181 /nfs/dbraw/zinc/65/51/81/539655181.db2.gz DZROVJJMZFTBLX-UHFFFAOYSA-N 0 0 352.438 2.251 50 5 FEBARN O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000023154939 539707558 /nfs/dbraw/zinc/70/75/58/539707558.db2.gz OTEKVJGUAMUGDY-CQSZACIVSA-N 0 0 363.345 2.130 50 5 FEBARN COc1ccc(CN(C)C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1F ZINC000024703280 539739255 /nfs/dbraw/zinc/73/92/55/539739255.db2.gz FRAMMHUANPETGC-UHFFFAOYSA-N 0 0 363.345 2.483 50 5 FEBARN O=C(CCn1cnc([N+](=O)[O-])c1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000026195676 539780281 /nfs/dbraw/zinc/78/02/81/539780281.db2.gz QYJQSVSGZFCAST-UHFFFAOYSA-N 0 0 371.397 2.059 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccc1 ZINC000001067600 219362604 /nfs/dbraw/zinc/36/26/04/219362604.db2.gz KEPWTACDOKCAQK-UHFFFAOYSA-N 0 0 353.176 2.179 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1cn[nH]c1 ZINC000030587633 539886582 /nfs/dbraw/zinc/88/65/82/539886582.db2.gz OQCIFIPKPDKEQR-UHFFFAOYSA-N 0 0 351.388 2.236 50 5 FEBARN C[C@@H](OC(=O)c1cc(F)cc([N+](=O)[O-])c1N)C(=O)N1CCCCCC1 ZINC000052006258 540451020 /nfs/dbraw/zinc/45/10/20/540451020.db2.gz OFYQDMSJFZZZSJ-SNVBAGLBSA-N 0 0 353.350 2.264 50 5 FEBARN CCc1cc(N[C@@H]2CCS(=O)(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053551178 540542837 /nfs/dbraw/zinc/54/28/37/540542837.db2.gz KKDPXNYBNZUJLF-CYBMUJFWSA-N 0 0 362.411 2.213 50 5 FEBARN COc1cccc(N2C[C@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)c1 ZINC000004497101 209421684 /nfs/dbraw/zinc/42/16/84/209421684.db2.gz TWIPNDFCCXNDEL-CYBMUJFWSA-N 0 0 369.377 2.447 50 5 FEBARN O=C(NC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000057322507 540789141 /nfs/dbraw/zinc/78/91/41/540789141.db2.gz XXHBIHGHKISKSI-UHFFFAOYSA-N 0 0 356.382 2.207 50 5 FEBARN O=C(CSc1nnnn1-c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000002871279 209398507 /nfs/dbraw/zinc/39/85/07/209398507.db2.gz RTNVEHRNPCYXDQ-UHFFFAOYSA-N 0 0 371.378 2.406 50 5 FEBARN CCOC(=O)CCN(CC1CC1)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000048286709 209331379 /nfs/dbraw/zinc/33/13/79/209331379.db2.gz VDUDOFKWQZSCBK-UHFFFAOYSA-N 0 0 370.427 2.257 50 5 FEBARN C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072408176 541806354 /nfs/dbraw/zinc/80/63/54/541806354.db2.gz ZSNBULUWSFJZPS-QWRGUYRKSA-N 0 0 356.400 2.223 50 5 FEBARN COc1cc(C(=O)NCC(C)(C)C[C@@H](C)O)c([N+](=O)[O-])c(OC)c1OC ZINC000076086524 542230826 /nfs/dbraw/zinc/23/08/26/542230826.db2.gz DFJLUNFAYUZFNU-SNVBAGLBSA-N 0 0 370.402 2.148 50 5 FEBARN Cc1nn(C)c(C(=O)Nc2sc(C(C)C)cc2C(N)=O)c1[N+](=O)[O-] ZINC000002735369 206930080 /nfs/dbraw/zinc/93/00/80/206930080.db2.gz PKRXBJSOOUEVCA-UHFFFAOYSA-N 0 0 351.388 2.173 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000004144255 207003123 /nfs/dbraw/zinc/00/31/23/207003123.db2.gz MVSYBBNZRMSFDA-CQSZACIVSA-N 0 0 365.411 2.437 50 5 FEBARN O=C1Cc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cc3c2N1CCC3 ZINC000004270357 207009718 /nfs/dbraw/zinc/00/97/18/207009718.db2.gz YBOVNPCKRGXAOR-UHFFFAOYSA-N 0 0 373.390 2.231 50 5 FEBARN COc1ccccc1CNc1c([N+](=O)[O-])nn(-c2cccc(C)c2)[n+]1[O-] ZINC000004922502 207062996 /nfs/dbraw/zinc/06/29/96/207062996.db2.gz NKKKGLQXIJMLIQ-UHFFFAOYSA-N 0 0 355.354 2.343 50 5 FEBARN Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c([N+](=O)[O-])c1 ZINC000004932205 207063461 /nfs/dbraw/zinc/06/34/61/207063461.db2.gz YTQCBRQWMLWPIM-UHFFFAOYSA-N 0 0 357.153 2.405 50 5 FEBARN O=C(Nc1ncc([N+](=O)[O-])s1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000005060999 207077378 /nfs/dbraw/zinc/07/73/78/207077378.db2.gz NRVMTZITPSLYIN-MRVPVSSYSA-N 0 0 350.331 2.182 50 5 FEBARN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCC3)c1ccc([N+](=O)[O-])o1 ZINC000005139861 207082681 /nfs/dbraw/zinc/08/26/81/207082681.db2.gz ABIJKLYJPULBJR-UHFFFAOYSA-N 0 0 354.322 2.486 50 5 FEBARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)N1 ZINC000006394289 207139488 /nfs/dbraw/zinc/13/94/88/207139488.db2.gz ZXCFRGUOAKYJAF-NOZJJQNGSA-N 0 0 361.276 2.221 50 5 FEBARN CNc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000006508171 207144024 /nfs/dbraw/zinc/14/40/24/207144024.db2.gz VDOWTUIGCABLJK-UHFFFAOYSA-N 0 0 357.366 2.418 50 5 FEBARN COc1cccc(CNC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000007652107 207201290 /nfs/dbraw/zinc/20/12/90/207201290.db2.gz YEEUZBABSNRNCA-CMDGGOBGSA-N 0 0 370.361 2.476 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000008512590 207235400 /nfs/dbraw/zinc/23/54/00/207235400.db2.gz SHYUGMCYVSHARP-UONOGXRCSA-N 0 0 370.409 2.343 50 5 FEBARN Cc1nc2ccccc2n1CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000010737160 207304528 /nfs/dbraw/zinc/30/45/28/207304528.db2.gz HEILBYFMWKQQPC-UHFFFAOYSA-N 0 0 354.366 2.448 50 5 FEBARN O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012552215 207391104 /nfs/dbraw/zinc/39/11/04/207391104.db2.gz IIHTWXKYCQPRST-UHFFFAOYSA-N 0 0 369.337 2.291 50 5 FEBARN O=[N+]([O-])c1ccc2cnn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)c2c1 ZINC000012558343 207394543 /nfs/dbraw/zinc/39/45/43/207394543.db2.gz FWRANIINMAXYOE-UHFFFAOYSA-N 0 0 373.394 2.113 50 5 FEBARN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000012736871 207410470 /nfs/dbraw/zinc/41/04/70/207410470.db2.gz QVYHGFZWOWBSGI-OAHLLOKOSA-N 0 0 360.370 2.172 50 5 FEBARN C[C@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624736 208132961 /nfs/dbraw/zinc/13/29/61/208132961.db2.gz RCVDUDYYBPDSQT-HOCLYGCPSA-N 0 0 367.471 2.480 50 5 FEBARN C[C@@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624734 208133939 /nfs/dbraw/zinc/13/39/39/208133939.db2.gz RCVDUDYYBPDSQT-ZBFHGGJFSA-N 0 0 367.471 2.480 50 5 FEBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1-c1ccncc1 ZINC000038829464 208205671 /nfs/dbraw/zinc/20/56/71/208205671.db2.gz IHPVIBLOVRROFS-UHFFFAOYSA-N 0 0 367.368 2.480 50 5 FEBARN Cc1ccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-] ZINC000040111026 208228831 /nfs/dbraw/zinc/22/88/31/208228831.db2.gz FKDGYXJZNBNPSW-SFHVURJKSA-N 0 0 368.349 2.210 50 5 FEBARN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000048245852 208392863 /nfs/dbraw/zinc/39/28/63/208392863.db2.gz RWKRDXWYCPSZIF-UHFFFAOYSA-N 0 0 371.328 2.434 50 5 FEBARN NC(=O)c1cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)c2ccccc12 ZINC000048289520 208398045 /nfs/dbraw/zinc/39/80/45/208398045.db2.gz HLGTZOBCXAFTIY-UHFFFAOYSA-N 0 0 364.361 2.238 50 5 FEBARN CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000056088641 208490219 /nfs/dbraw/zinc/49/02/19/208490219.db2.gz TVHQEAWEEGVMCI-UHFFFAOYSA-N 0 0 363.395 2.340 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([C@H](O)C(C)C)CC2)c1C ZINC000095986821 209093606 /nfs/dbraw/zinc/09/36/06/209093606.db2.gz LXFWYLWKVZADEU-OAHLLOKOSA-N 0 0 356.444 2.287 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000004117138 132386474 /nfs/dbraw/zinc/38/64/74/132386474.db2.gz BFLZLXYSJKAUBN-UHFFFAOYSA-N 0 0 361.423 2.247 50 5 FEBARN CCN1C[C@@H](CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000008779992 132844042 /nfs/dbraw/zinc/84/40/42/132844042.db2.gz CQKLSACEVBCFLR-CQSZACIVSA-N 0 0 370.409 2.417 50 5 FEBARN O=[N+]([O-])c1cccnc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000026758069 136153298 /nfs/dbraw/zinc/15/32/98/136153298.db2.gz QMDXFCALMSJNNW-UHFFFAOYSA-N 0 0 356.382 2.083 50 5 FEBARN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000170591500 546161669 /nfs/dbraw/zinc/16/16/69/546161669.db2.gz YDZDWYXSWQBOEA-LRDDRELGSA-N 0 0 367.358 2.054 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2n[nH]cc2C1 ZINC000170635337 546168088 /nfs/dbraw/zinc/16/80/88/546168088.db2.gz QKXKVMOCMBNSNU-UHFFFAOYSA-N 0 0 351.160 2.279 50 5 FEBARN O=c1c(Br)cnc2sc(-c3ccc([N+](=O)[O-])cc3)nn21 ZINC000001234557 669943681 /nfs/dbraw/zinc/94/36/81/669943681.db2.gz ZYNBITIYOWJTSX-UHFFFAOYSA-N 0 0 353.157 2.489 50 5 FEBARN O=C(CSc1nnnn1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000939384 539336087 /nfs/dbraw/zinc/33/60/87/539336087.db2.gz IPSZZYXHAOQNRB-UHFFFAOYSA-N 0 0 356.367 2.301 50 5 FEBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000002702720 539351795 /nfs/dbraw/zinc/35/17/95/539351795.db2.gz MSXRQFGZDSKMTK-AWEZNQCLSA-N 0 0 361.379 2.418 50 5 FEBARN COc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000003301908 539362657 /nfs/dbraw/zinc/36/26/57/539362657.db2.gz VEANAPSFRCBTCZ-UHFFFAOYSA-N 0 0 350.283 2.001 50 5 FEBARN COc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000003323009 539363620 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FEBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 ZINC000030495692 539882663 /nfs/dbraw/zinc/88/26/63/539882663.db2.gz HWGLDLXPVLHUAS-CYBMUJFWSA-N 0 0 364.379 2.406 50 5 FEBARN CCc1cc(N[C@H]2CCS(=O)(=O)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000053551199 540542910 /nfs/dbraw/zinc/54/29/10/540542910.db2.gz KKDPXNYBNZUJLF-ZDUSSCGKSA-N 0 0 362.411 2.213 50 5 FEBARN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1c([N+](=O)[O-])ncn1C ZINC000054389164 540587815 /nfs/dbraw/zinc/58/78/15/540587815.db2.gz CPGDIFGWHQMHQX-LLVKDONJSA-N 0 0 374.319 2.223 50 5 FEBARN CCOC(=O)[C@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000048343116 209331497 /nfs/dbraw/zinc/33/14/97/209331497.db2.gz UXOVFYFHAAHXDO-AWEZNQCLSA-N 0 0 359.386 2.086 50 5 FEBARN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)N1CCOCC1 ZINC000068738527 541623536 /nfs/dbraw/zinc/62/35/36/541623536.db2.gz FNULWRKCRHTJLL-CQSZACIVSA-N 0 0 363.417 2.365 50 5 FEBARN Cc1ccc(NC(=O)Cn2nc(-c3cccs3)oc2=O)c([N+](=O)[O-])c1 ZINC000016461851 220185132 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Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000002868618 539355645 /nfs/dbraw/zinc/35/56/45/539355645.db2.gz XSYYCXBQXUVZHT-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCOCC1 ZINC000002858586 539356210 /nfs/dbraw/zinc/35/62/10/539356210.db2.gz BTLKJFWMALTPRD-UHFFFAOYSA-N 0 0 369.377 2.248 50 5 FEBARN O=C1NC2(CCCCC2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000003325286 539363949 /nfs/dbraw/zinc/36/39/49/539363949.db2.gz ZNELRKPGRDKNIL-UHFFFAOYSA-N 0 0 361.354 2.216 50 5 FEBARN Cc1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cccc1[N+](=O)[O-] ZINC000003592585 539371545 /nfs/dbraw/zinc/37/15/45/539371545.db2.gz PIBFOAIUPVIYHW-UHFFFAOYSA-N 0 0 374.397 2.342 50 5 FEBARN COc1ccc2cc(CCNC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 ZINC000004032874 539375368 /nfs/dbraw/zinc/37/53/68/539375368.db2.gz CMZSZFJPNUZKNC-UHFFFAOYSA-N 0 0 367.361 2.417 50 5 FEBARN CCN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 ZINC000004087036 539376870 /nfs/dbraw/zinc/37/68/70/539376870.db2.gz XDSQSCHUXFLYRL-UHFFFAOYSA-N 0 0 374.422 2.386 50 5 FEBARN COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004463335 539384586 /nfs/dbraw/zinc/38/45/86/539384586.db2.gz DUEUYYRQWOYJTL-UHFFFAOYSA-N 0 0 358.306 2.177 50 5 FEBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004746794 539392317 /nfs/dbraw/zinc/39/23/17/539392317.db2.gz OIADEBHGSGXTDO-UHFFFAOYSA-N 0 0 356.338 2.465 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl ZINC000004851781 539393695 /nfs/dbraw/zinc/39/36/95/539393695.db2.gz OTCMEJPVEUKJJB-UHFFFAOYSA-N 0 0 370.770 2.455 50 5 FEBARN O=C(Oc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004899952 539395592 /nfs/dbraw/zinc/39/55/92/539395592.db2.gz HKERJTHLMQYZHS-UHFFFAOYSA-N 0 0 372.333 2.379 50 5 FEBARN CN(C)[S@](=O)(=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005668323 539414498 /nfs/dbraw/zinc/41/44/98/539414498.db2.gz HODHYVIZOMUJKS-HSZRJFAPSA-N 0 0 369.424 2.287 50 5 FEBARN C[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000013135765 539584347 /nfs/dbraw/zinc/58/43/47/539584347.db2.gz JKICJQKNLPETJK-AOOOYVTPSA-N 0 0 372.219 2.405 50 5 FEBARN CC(=O)N1CCc2cc(S(=O)(=O)Oc3ccccc3[N+](=O)[O-])ccc21 ZINC000015323737 539615436 /nfs/dbraw/zinc/61/54/36/539615436.db2.gz OHFTXMIABZAKDM-UHFFFAOYSA-N 0 0 362.363 2.272 50 5 FEBARN O=C(COn1nnc2ccc(Cl)cc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000021574360 539685292 /nfs/dbraw/zinc/68/52/92/539685292.db2.gz GMCUHHHJDQYZAN-UHFFFAOYSA-N 0 0 373.756 2.011 50 5 FEBARN C[C@H](Cn1cccn1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024807869 539741088 /nfs/dbraw/zinc/74/10/88/539741088.db2.gz JBLSBEIEQFPTCM-CQSZACIVSA-N 0 0 357.414 2.213 50 5 FEBARN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000024980659 539745573 /nfs/dbraw/zinc/74/55/73/539745573.db2.gz HSCZGAUXGOUBRF-UHFFFAOYSA-N 0 0 361.116 2.236 50 5 FEBARN O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000001057764 219360163 /nfs/dbraw/zinc/36/01/63/219360163.db2.gz DLAFJJAYHSMLJE-HOTGVXAUSA-N 0 0 373.390 2.207 50 5 FEBARN CCOc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000001074893 219365012 /nfs/dbraw/zinc/36/50/12/219365012.db2.gz KRRBMLDLDVJQPZ-MFKMUULPSA-N 0 0 373.203 2.453 50 5 FEBARN COC(=O)c1cc(N2CCN(c3ccccc3O)CC2)ccc1[N+](=O)[O-] ZINC000029236544 539847803 /nfs/dbraw/zinc/84/78/03/539847803.db2.gz AJHZWICFSDKQIJ-UHFFFAOYSA-N 0 0 357.366 2.414 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCOc2ccccc21 ZINC000030495694 539882896 /nfs/dbraw/zinc/88/28/96/539882896.db2.gz HWGLDLXPVLHUAS-ZDUSSCGKSA-N 0 0 364.379 2.406 50 5 FEBARN CCCn1c(=O)[nH]nc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031843024 539921539 /nfs/dbraw/zinc/92/15/39/539921539.db2.gz JDHVOJVLPVVVPY-UHFFFAOYSA-N 0 0 362.371 2.232 50 5 FEBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1N1CCOCC1 ZINC000032017530 539926207 /nfs/dbraw/zinc/92/62/07/539926207.db2.gz OKVAOQNHROMDSB-BQYQJAHWSA-N 0 0 368.393 2.156 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000038946829 540001742 /nfs/dbraw/zinc/00/17/42/540001742.db2.gz ZSKLRRXIMMLZQS-LSDHHAIUSA-N 0 0 369.377 2.276 50 5 FEBARN O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000047911136 540333695 /nfs/dbraw/zinc/33/36/95/540333695.db2.gz GTKDLKGXKVPDJX-UHFFFAOYSA-N 0 0 361.423 2.247 50 5 FEBARN O=C(NCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000048512799 540365169 /nfs/dbraw/zinc/36/51/69/540365169.db2.gz QVYGNNOLSCURFG-UHFFFAOYSA-N 0 0 359.294 2.090 50 5 FEBARN COc1cccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000012906567 209573385 /nfs/dbraw/zinc/57/33/85/209573385.db2.gz JNZGAWABNBNYEX-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCC3(CC2)OCCO3)c1C ZINC000056090619 540701692 /nfs/dbraw/zinc/70/16/92/540701692.db2.gz YYSQYUWWZDDFPH-UHFFFAOYSA-N 0 0 370.427 2.176 50 5 FEBARN CCOC(=O)CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000008684590 209473060 /nfs/dbraw/zinc/47/30/60/209473060.db2.gz WBRDCFRCAWSNKK-UHFFFAOYSA-N 0 0 368.396 2.354 50 5 FEBARN Cc1cn(C[C@@H](O)COc2ccccc2)c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000058129641 540829808 /nfs/dbraw/zinc/82/98/08/540829808.db2.gz NKQSNLHVRUUDPW-QGZVFWFLSA-N 0 0 369.377 2.296 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1N(C[C@H]1CO1)S(=O)(=O)c1ccccc1 ZINC000000864109 209378977 /nfs/dbraw/zinc/37/89/77/209378977.db2.gz UIWRFGGKGJLEQH-ZDUSSCGKSA-N 0 0 364.379 2.198 50 5 FEBARN O=C1NC(=O)[C@@H]2[C@H]1ON(c1ccc(Cl)cc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102863113 209241942 /nfs/dbraw/zinc/24/19/42/209241942.db2.gz WHAJACOXPHJQHR-RRFJBIMHSA-N 0 0 373.752 2.382 50 5 FEBARN CCN(CC)C(=O)CCn1cc([N+](=O)[O-])s/c1=N\C(=O)C(C)(C)C ZINC000071767388 541771998 /nfs/dbraw/zinc/77/19/98/541771998.db2.gz ZKNPEISGSIJIGC-PEZBUJJGSA-N 0 0 356.448 2.190 50 5 FEBARN CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000097105676 209170777 /nfs/dbraw/zinc/17/07/77/209170777.db2.gz ZYBHDGCSADWOQW-INIZCTEOSA-N 0 0 357.366 2.202 50 5 FEBARN CCOc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000001074895 206859562 /nfs/dbraw/zinc/85/95/62/206859562.db2.gz KRRBMLDLDVJQPZ-ZWNOBZJWSA-N 0 0 373.203 2.453 50 5 FEBARN CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000002046455 206900200 /nfs/dbraw/zinc/90/02/00/206900200.db2.gz RVEIAMZETABDBE-INIZCTEOSA-N 0 0 368.345 2.365 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000004320163 207014250 /nfs/dbraw/zinc/01/42/50/207014250.db2.gz KKEGJBDASXOXCT-AWEZNQCLSA-N 0 0 364.379 2.017 50 5 FEBARN COc1ccc(OC[C@@H](O)CN(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004681400 207037946 /nfs/dbraw/zinc/03/79/46/207037946.db2.gz VDNWUYTXEKVYFA-HNNXBMFYSA-N 0 0 374.393 2.424 50 5 FEBARN Cc1ccc(O[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000004891984 207058464 /nfs/dbraw/zinc/05/84/64/207058464.db2.gz PNLAVEAWMLRWCT-LLVKDONJSA-N 0 0 359.338 2.111 50 5 FEBARN Nc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005034694 207075493 /nfs/dbraw/zinc/07/54/93/207075493.db2.gz BSPALGLEROGPLK-UHFFFAOYSA-N 0 0 362.342 2.417 50 5 FEBARN C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000005657306 207110117 /nfs/dbraw/zinc/11/01/17/207110117.db2.gz XNQXJVAMOZPUSR-LLVKDONJSA-N 0 0 355.350 2.312 50 5 FEBARN COC(=O)c1ccc(NC(=O)c2[nH]nc([N+](=O)[O-])c2Br)cc1 ZINC000005634266 207109178 /nfs/dbraw/zinc/10/91/78/207109178.db2.gz XEVNEAAEQOMWAP-UHFFFAOYSA-N 0 0 369.131 2.119 50 5 FEBARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000006598325 207149394 /nfs/dbraw/zinc/14/93/94/207149394.db2.gz NBWVVOJMZZRLQA-UHFFFAOYSA-N 0 0 360.370 2.178 50 5 FEBARN COc1ccc(NC(=O)COC(=O)COc2ccccc2)c([N+](=O)[O-])c1 ZINC000006460227 207140498 /nfs/dbraw/zinc/14/04/98/207140498.db2.gz OZPOYVMAUWUIKG-UHFFFAOYSA-N 0 0 360.322 2.164 50 5 FEBARN CCCCn1c2nc(-c3ccc([N+](=O)[O-])cc3)n(CC)c2c(=O)[nH]c1=O ZINC000006567026 207146820 /nfs/dbraw/zinc/14/68/20/207146820.db2.gz IYIPKVPERGSWQI-UHFFFAOYSA-N 0 0 357.370 2.282 50 5 FEBARN C[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000006755094 207160772 /nfs/dbraw/zinc/16/07/72/207160772.db2.gz MLOPBCYOXLAHKU-NSHDSACASA-N 0 0 354.318 2.227 50 5 FEBARN CON(C)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000007979073 207212927 /nfs/dbraw/zinc/21/29/27/207212927.db2.gz CDRIDDJHFPUPAB-VXGBXAGGSA-N 0 0 357.432 2.259 50 5 FEBARN CC(C)(C)OC(=O)NCCCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000008175739 207222722 /nfs/dbraw/zinc/22/27/22/207222722.db2.gz VKJKWYRQKASWNU-UHFFFAOYSA-N 0 0 366.418 2.428 50 5 FEBARN Cc1ccc(C(=O)NCCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000009355899 207268052 /nfs/dbraw/zinc/26/80/52/207268052.db2.gz KYORDVMSLJYWJF-UHFFFAOYSA-N 0 0 356.382 2.157 50 5 FEBARN Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1[N+](=O)[O-] ZINC000009746132 207285602 /nfs/dbraw/zinc/28/56/02/207285602.db2.gz NDKMGIAADXABSV-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN CCn1nc(C)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C ZINC000014229631 207513333 /nfs/dbraw/zinc/51/33/33/207513333.db2.gz SSNVUGJOWFIPOI-UHFFFAOYSA-N 0 0 352.416 2.249 50 5 FEBARN CCOC(=O)c1ccc(OC[C@@H](O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000024832469 207878014 /nfs/dbraw/zinc/87/80/14/207878014.db2.gz XTFAUEQFMQILPL-AWEZNQCLSA-N 0 0 363.370 2.025 50 5 FEBARN COC(=O)C1(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CCCCCC1 ZINC000027972963 207943960 /nfs/dbraw/zinc/94/39/60/207943960.db2.gz WLZMCJWIIWCHIF-UHFFFAOYSA-N 0 0 370.427 2.448 50 5 FEBARN O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1CCO ZINC000038828955 208205507 /nfs/dbraw/zinc/20/55/07/208205507.db2.gz LWWYMYPRYOCOGU-UHFFFAOYSA-N 0 0 367.792 2.346 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000089652163 208968012 /nfs/dbraw/zinc/96/80/12/208968012.db2.gz LWEZWAHXDCBKHV-GFCCVEGCSA-N 0 0 352.372 2.202 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)c1C ZINC000095398179 209047654 /nfs/dbraw/zinc/04/76/54/209047654.db2.gz GABPDSDHKCOFNM-ZFWWWQNUSA-N 0 0 367.471 2.459 50 5 FEBARN Cc1nn(C)c(Oc2ccc(I)nc2)c1[N+](=O)[O-] ZINC000079106212 542499924 /nfs/dbraw/zinc/49/99/24/542499924.db2.gz ULFUDFSQPKBAPZ-UHFFFAOYSA-N 0 0 360.111 2.429 50 5 FEBARN O=C(CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1)NC1CC1 ZINC000225650059 132285674 /nfs/dbraw/zinc/28/56/74/132285674.db2.gz CGLFGYWQVKZYPU-UHFFFAOYSA-N 0 0 373.240 2.302 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCOCC1 ZINC000001114864 132380155 /nfs/dbraw/zinc/38/01/55/132380155.db2.gz SXXOVLLRBBSTTH-UHFFFAOYSA-N 0 0 357.366 2.449 50 5 FEBARN C[C@@H]1Oc2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2N(C)C1=O ZINC000041155607 136121007 /nfs/dbraw/zinc/12/10/07/136121007.db2.gz UKCBMQZMMMAZHD-NSHDSACASA-N 0 0 371.349 2.356 50 5 FEBARN Cc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000055526898 136126897 /nfs/dbraw/zinc/12/68/97/136126897.db2.gz FYURIJKPFDWVIL-UHFFFAOYSA-N 0 0 367.793 2.141 50 5 FEBARN Cc1cc(OCC(=O)N2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000007549341 136151883 /nfs/dbraw/zinc/15/18/83/136151883.db2.gz INFPDZXDKOZVDD-UHFFFAOYSA-N 0 0 356.382 2.026 50 5 FEBARN Cc1occc1C(=O)N1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000097220147 543008521 /nfs/dbraw/zinc/00/85/21/543008521.db2.gz TZESCAVHTHRIRC-WAYWQWQTSA-N 0 0 369.377 2.494 50 5 FEBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000103613805 543115300 /nfs/dbraw/zinc/11/53/00/543115300.db2.gz DLCOVGZXKOQURS-DZGCQCFKSA-N 0 0 355.281 2.026 50 5 FEBARN Cc1ccn(Cc2csc(-c3ccc(C(N)=O)cc3)n2)c(=O)c1[N+](=O)[O-] ZINC000129763683 544126831 /nfs/dbraw/zinc/12/68/31/544126831.db2.gz SLPGZFUUAWECAK-UHFFFAOYSA-N 0 0 370.390 2.336 50 5 FEBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCOCO1 ZINC000154499840 544913755 /nfs/dbraw/zinc/91/37/55/544913755.db2.gz NHHKVVNMTHGSDE-CQSZACIVSA-N 0 0 352.390 2.034 50 5 FEBARN COc1ccc([N+](=O)[O-])c(C(=O)N2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000089432457 525445832 /nfs/dbraw/zinc/44/58/32/525445832.db2.gz BSKYOCWIEMLWCZ-UHFFFAOYSA-N 0 0 355.350 2.046 50 5 FEBARN COc1ccccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000001115808 537064779 /nfs/dbraw/zinc/06/47/79/537064779.db2.gz DFWDHWXKQJYOGK-UHFFFAOYSA-N 0 0 371.393 2.331 50 5 FEBARN Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] ZINC000170591498 546162156 /nfs/dbraw/zinc/16/21/56/546162156.db2.gz YDZDWYXSWQBOEA-BLLLJJGKSA-N 0 0 367.358 2.054 50 5 FEBARN COC(=O)/C=C/c1ccc(N[C@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000253417609 549688644 /nfs/dbraw/zinc/68/86/44/549688644.db2.gz BSXQDUNSGVIBJF-OKPNEXGHSA-N 0 0 368.411 2.159 50 5 FEBARN COC(=O)CCN(C[C@H]1CCCO1)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000083843716 571052231 /nfs/dbraw/zinc/05/22/31/571052231.db2.gz MBVKHJYNNBVYRC-CQSZACIVSA-N 0 0 350.371 2.346 50 5 FEBARN COC[C@H](C)NC(=O)/C=C\c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000098003910 670764596 /nfs/dbraw/zinc/76/45/96/670764596.db2.gz AWFWDGHGVHGWSB-WBSSQXGSSA-N 0 0 360.313 2.369 50 5 FEBARN COC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000001188457 539339832 /nfs/dbraw/zinc/33/98/32/539339832.db2.gz UDWBIWITXZSVCA-UHFFFAOYSA-N 0 0 372.333 2.349 50 5 FEBARN COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002796799 539353530 /nfs/dbraw/zinc/35/35/30/539353530.db2.gz MHFTWJXBSFCGQE-UHFFFAOYSA-N 0 0 366.757 2.391 50 5 FEBARN Cc1ccnn1Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000002730599 539351692 /nfs/dbraw/zinc/35/16/92/539351692.db2.gz YMCKGLHXXUZDBP-UHFFFAOYSA-N 0 0 374.382 2.262 50 5 FEBARN COc1cccc(Cn2cc(NC(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)cn2)c1 ZINC000002747973 539351828 /nfs/dbraw/zinc/35/18/28/539351828.db2.gz HRNCTHMJINMWOF-GFCCVEGCSA-N 0 0 370.369 2.244 50 5 FEBARN COc1cc(C(=O)OCC(=O)N(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000003450066 539366039 /nfs/dbraw/zinc/36/60/39/539366039.db2.gz QSKDJFKXPQHALQ-UHFFFAOYSA-N 0 0 374.349 2.432 50 5 FEBARN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000003907139 539374509 /nfs/dbraw/zinc/37/45/09/539374509.db2.gz JUCFCKOFUVDLRV-AWEZNQCLSA-N 0 0 358.358 2.214 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccccc1 ZINC000004348211 539382560 /nfs/dbraw/zinc/38/25/60/539382560.db2.gz UJGGNJDWIGQKFK-UHFFFAOYSA-N 0 0 364.379 2.406 50 5 FEBARN COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccc(C)cc2)C(=O)NC[C@H]1c1ccco1 ZINC000004811994 539393367 /nfs/dbraw/zinc/39/33/67/539393367.db2.gz YWSUKQJIAHDNEA-YZVOILCLSA-N 0 0 372.377 2.021 50 5 FEBARN O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1cccc([N+](=O)[O-])c1 ZINC000005056675 539401481 /nfs/dbraw/zinc/40/14/81/539401481.db2.gz BPHBVBBGUPOTLI-UHFFFAOYSA-N 0 0 366.312 2.073 50 5 FEBARN CCOC(=O)N1CCN(c2c3ccccc3n(CC)c(=O)c2[N+](=O)[O-])CC1 ZINC000005577410 539413073 /nfs/dbraw/zinc/41/30/73/539413073.db2.gz ZKAHNHBHTWHQDD-UHFFFAOYSA-N 0 0 374.397 2.208 50 5 FEBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(Cl)ccc1-n1cncn1 ZINC000005970968 539419700 /nfs/dbraw/zinc/41/97/00/539419700.db2.gz ZERKEEIBBQGRII-UHFFFAOYSA-N 0 0 374.744 2.241 50 5 FEBARN Cc1cccc(NC(=O)CNC(=O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000006061573 539421198 /nfs/dbraw/zinc/42/11/98/539421198.db2.gz LJBNNZJYAKLNKE-UHFFFAOYSA-N 0 0 357.366 2.345 50 5 FEBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4cccc([N+](=O)[O-])c4)C3=C2O)cc1 ZINC000006922894 539441681 /nfs/dbraw/zinc/44/16/81/539441681.db2.gz KDUOFNLMQJKNAU-GDBMZVCRSA-N 0 0 351.318 2.196 50 5 FEBARN Cc1c(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cccc1[N+](=O)[O-] ZINC000007269519 539452924 /nfs/dbraw/zinc/45/29/24/539452924.db2.gz DCWOSWCYWCVSRT-UHFFFAOYSA-N 0 0 352.350 2.331 50 5 FEBARN O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1CCCO)CCC2 ZINC000010256793 539515421 /nfs/dbraw/zinc/51/54/21/539515421.db2.gz GKAVGKAUOTWTHK-UHFFFAOYSA-N 0 0 361.423 2.315 50 5 FEBARN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)c1ccco1 ZINC000012528139 539563523 /nfs/dbraw/zinc/56/35/23/539563523.db2.gz IQAAKUYBVSGZIO-HNNXBMFYSA-N 0 0 372.381 2.021 50 5 FEBARN C[C@@H]1CN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000012635010 539569102 /nfs/dbraw/zinc/56/91/02/539569102.db2.gz IJUGDVGBYOSIRX-BETUJISGSA-N 0 0 372.429 2.235 50 5 FEBARN O=c1c([N+](=O)[O-])c(NCCc2ccc3c(c2)OCCO3)nc2ccccn21 ZINC000012981048 539580132 /nfs/dbraw/zinc/58/01/32/539580132.db2.gz XTIBDQGQURWXTF-UHFFFAOYSA-N 0 0 368.349 2.029 50 5 FEBARN Nc1n[nH]c(SCC(=O)Nc2c3ccccc3nc3ccccc32)n1 ZINC000019850658 539669888 /nfs/dbraw/zinc/66/98/88/539669888.db2.gz LJLQSVNSZUDFOH-UHFFFAOYSA-N 0 0 350.407 2.241 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024300001 539729597 /nfs/dbraw/zinc/72/95/97/539729597.db2.gz TWCQFXPHHGBZIT-UHFFFAOYSA-N 0 0 357.366 2.081 50 5 FEBARN O=c1c([N+](=O)[O-])c(NCCCN2CCc3ccccc32)nc2ccccn21 ZINC000026774812 539793376 /nfs/dbraw/zinc/79/33/76/539793376.db2.gz JSHONYXVYQTICQ-UHFFFAOYSA-N 0 0 365.393 2.467 50 5 FEBARN CCNC(=O)COC(=O)[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032910538 209854438 /nfs/dbraw/zinc/85/44/38/209854438.db2.gz KQFVRFHPKQELMB-MRVPVSSYSA-N 0 0 363.292 2.093 50 5 FEBARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000001081656 219366393 /nfs/dbraw/zinc/36/63/93/219366393.db2.gz MTHPGIYVNAHRJC-UHFFFAOYSA-N 0 0 355.350 2.320 50 5 FEBARN NS(=O)(=O)c1ccc(OCCOc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000031708483 539916475 /nfs/dbraw/zinc/91/64/75/539916475.db2.gz ACOBXVAOYXREGP-UHFFFAOYSA-N 0 0 372.786 2.353 50 5 FEBARN C[C@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)Cc1ccccc1 ZINC000037521178 539996557 /nfs/dbraw/zinc/99/65/57/539996557.db2.gz CZKBEIFFNOEQKK-AWEZNQCLSA-N 0 0 353.378 2.401 50 5 FEBARN CS(=O)(=O)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000007984011 209469449 /nfs/dbraw/zinc/46/94/49/209469449.db2.gz LYNPKNGCNODHEO-NSHDSACASA-N 0 0 364.379 2.250 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H]1CCCO1 ZINC000008128163 209467545 /nfs/dbraw/zinc/46/75/45/209467545.db2.gz UIMNTCVSPCBWKJ-QMMMGPOBSA-N 0 0 354.306 2.479 50 5 FEBARN CSc1nnc(C)c(=O)n1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004495799 209420936 /nfs/dbraw/zinc/42/09/36/209420936.db2.gz URRMYEQADTURLC-UHFFFAOYSA-N 0 0 370.774 2.045 50 5 FEBARN CCNS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000000999033 209386487 /nfs/dbraw/zinc/38/64/87/209386487.db2.gz WOVUPBHHWBAAOB-UHFFFAOYSA-N 0 0 363.395 2.454 50 5 FEBARN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000062331169 541148235 /nfs/dbraw/zinc/14/82/35/541148235.db2.gz CAWVYTPZPZGQSJ-NSHDSACASA-N 0 0 357.366 2.403 50 5 FEBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cccc(F)c1 ZINC000100868883 209218726 /nfs/dbraw/zinc/21/87/26/209218726.db2.gz GTTIINNVRULUMN-HIFRSBDPSA-N 0 0 355.281 2.026 50 5 FEBARN CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n([C@H](C)CC)c1=N ZINC000100628099 209216442 /nfs/dbraw/zinc/21/64/42/209216442.db2.gz CFEIHLUBIOJPSQ-GFCCVEGCSA-N 0 0 353.426 2.158 50 5 FEBARN CCn1nc(C(=O)N2CCOCC2)c(C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203723 209133517 /nfs/dbraw/zinc/13/35/17/209133517.db2.gz NTBBYDSKULSKBD-UHFFFAOYSA-N 0 0 360.370 2.384 50 5 FEBARN CCCCN(C(C)=O)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025667944 206749671 /nfs/dbraw/zinc/74/96/71/206749671.db2.gz HEPHQBYKVJDOFC-UHFFFAOYSA-N 0 0 359.360 2.060 50 5 FEBARN CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000955818 206851162 /nfs/dbraw/zinc/85/11/62/206851162.db2.gz QCVGWYUNLAQPDP-AWEZNQCLSA-N 0 0 359.342 2.047 50 5 FEBARN COc1ccccc1NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000009748181 206872093 /nfs/dbraw/zinc/87/20/93/206872093.db2.gz OBFRALWUKMQYBH-SNVBAGLBSA-N 0 0 369.333 2.227 50 5 FEBARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000002729420 206930954 /nfs/dbraw/zinc/93/09/54/206930954.db2.gz GLIUCFRHFXYASR-LLVKDONJSA-N 0 0 366.370 2.027 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1nn(C)cc1Br ZINC000004615036 207032224 /nfs/dbraw/zinc/03/22/24/207032224.db2.gz RDXRTBVZPGTTNG-UHFFFAOYSA-N 0 0 355.148 2.352 50 5 FEBARN Cc1cc([N+](=O)[O-])nn1CCCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000004626227 207034095 /nfs/dbraw/zinc/03/40/95/207034095.db2.gz FXZSGDCQAFMCFT-UHFFFAOYSA-N 0 0 356.386 2.115 50 5 FEBARN O=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])o1 ZINC000004749184 207046132 /nfs/dbraw/zinc/04/61/32/207046132.db2.gz NCVZYHXEFKWJSY-UHFFFAOYSA-N 0 0 359.079 2.440 50 5 FEBARN C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004810438 207049745 /nfs/dbraw/zinc/04/97/45/207049745.db2.gz NPMJPRRPMFYGMT-JTQLQIEISA-N 0 0 367.358 2.039 50 5 FEBARN CC1(C)[C@@]2(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC[C@]1(C)C(=O)O2 ZINC000004810491 207050014 /nfs/dbraw/zinc/05/00/14/207050014.db2.gz VCOOGSJJOQGCQE-SJORKVTESA-N 0 0 362.338 2.384 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004913622 207061805 /nfs/dbraw/zinc/06/18/05/207061805.db2.gz XMVQVLGCHLIMSH-LBPRGKRZSA-N 0 0 350.396 2.379 50 5 FEBARN COc1ccccc1Nc1nc(NC[C@@H]2CCCO2)nc(N)c1[N+](=O)[O-] ZINC000005119482 207081706 /nfs/dbraw/zinc/08/17/06/207081706.db2.gz YIAJIGVIZWAYAT-JTQLQIEISA-N 0 0 360.374 2.310 50 5 FEBARN O=C(Nc1cccnc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270777 207091153 /nfs/dbraw/zinc/09/11/53/207091153.db2.gz CZXSPMGCXSXVQQ-UHFFFAOYSA-N 0 0 350.334 2.452 50 5 FEBARN C[C@@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000005450118 207101202 /nfs/dbraw/zinc/10/12/02/207101202.db2.gz PGQXOELMGBFKNC-SFHVURJKSA-N 0 0 369.333 2.291 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccc(F)cc1F ZINC000006943188 207179478 /nfs/dbraw/zinc/17/94/78/207179478.db2.gz CDMWQGSZYVHNIY-UHFFFAOYSA-N 0 0 360.276 2.222 50 5 FEBARN O=C(CSc1nc[nH]n1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000008692006 207240284 /nfs/dbraw/zinc/24/02/84/207240284.db2.gz HVAOMNRYEFQOLI-UHFFFAOYSA-N 0 0 358.177 2.206 50 5 FEBARN Cc1ccc(C)c(OC[C@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000015240658 207549298 /nfs/dbraw/zinc/54/92/98/207549298.db2.gz ZJGPUQCCLSMDBN-CYBMUJFWSA-N 0 0 370.361 2.248 50 5 FEBARN Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000018244157 207632063 /nfs/dbraw/zinc/63/20/63/207632063.db2.gz FTDYQMSFZJWCGX-BETUJISGSA-N 0 0 357.366 2.183 50 5 FEBARN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)c1ccc(F)cc1 ZINC000025740477 207901985 /nfs/dbraw/zinc/90/19/85/207901985.db2.gz JWPIKPRJDIBSNO-UHFFFAOYSA-N 0 0 361.329 2.362 50 5 FEBARN CNC(=O)c1cccc(CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000040106572 207959671 /nfs/dbraw/zinc/95/96/71/207959671.db2.gz CTBMEDWGTRNHLP-UHFFFAOYSA-N 0 0 357.366 2.040 50 5 FEBARN Cc1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000032759288 208039339 /nfs/dbraw/zinc/03/93/39/208039339.db2.gz WOYJXBDCUUTVLT-UHFFFAOYSA-N 0 0 371.392 2.074 50 5 FEBARN COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000032770533 208041273 /nfs/dbraw/zinc/04/12/73/208041273.db2.gz MLRQHVPWNIAVSB-QWRGUYRKSA-N 0 0 356.400 2.048 50 5 FEBARN O=C(CSc1ccc([N+](=O)[O-])cc1)NC1CCN(C(=O)C2CC2)CC1 ZINC000032908364 208053871 /nfs/dbraw/zinc/05/38/71/208053871.db2.gz ZRJGBPNQQMHBGN-UHFFFAOYSA-N 0 0 363.439 2.204 50 5 FEBARN CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040060201 208221208 /nfs/dbraw/zinc/22/12/08/208221208.db2.gz HAKBFOCDZLKEIP-SWLSCSKDSA-N 0 0 369.443 2.053 50 5 FEBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000041624434 208287561 /nfs/dbraw/zinc/28/75/61/208287561.db2.gz WMSDOXTWIYFIIX-INWMFGNUSA-N 0 0 361.398 2.339 50 5 FEBARN CNC(=O)c1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000071795908 208781486 /nfs/dbraw/zinc/78/14/86/208781486.db2.gz ZLKOTXDQRPVBEW-LBPRGKRZSA-N 0 0 368.393 2.344 50 5 FEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000010325442 132382168 /nfs/dbraw/zinc/38/21/68/132382168.db2.gz AUXGMGJMFCJABT-UHFFFAOYSA-N 0 0 372.356 2.021 50 5 FEBARN CN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)CC1 ZINC000004306323 132386743 /nfs/dbraw/zinc/38/67/43/132386743.db2.gz BMPIGHRTISUQKM-UHFFFAOYSA-N 0 0 363.809 2.116 50 5 FEBARN Cn1c2ccccc2c(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1=O ZINC000004814856 132824731 /nfs/dbraw/zinc/82/47/31/132824731.db2.gz MVOLEFLUTAQRFH-UHFFFAOYSA-N 0 0 365.393 2.168 50 5 FEBARN Cc1nnc(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)n1C1CC1 ZINC000095467334 542972779 /nfs/dbraw/zinc/97/27/79/542972779.db2.gz SYJAHKPTDFUQFV-UHFFFAOYSA-N 0 0 356.386 2.334 50 5 FEBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4cccc([N+](=O)[O-])c4)C3=C2O)cc1 ZINC000103561839 543114206 /nfs/dbraw/zinc/11/42/06/543114206.db2.gz KDUOFNLMQJKNAU-HOCLYGCPSA-N 0 0 351.318 2.196 50 5 FEBARN O=C(Cc1cccs1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c([N+](=O)[O-])ccc12 ZINC000827977152 675790045 /nfs/dbraw/zinc/79/00/45/675790045.db2.gz IFMJMHCQDNKBOR-NWDGAFQWSA-N 0 0 359.407 2.006 50 5 FEBARN Cc1nn2c3ccccc3n(CC(=O)c3ccc([N+](=O)[O-])cc3)c2nc1=O ZINC000000971861 539336099 /nfs/dbraw/zinc/33/60/99/539336099.db2.gz DYEIMJPCGRSQHV-UHFFFAOYSA-N 0 0 363.333 2.144 50 5 FEBARN Cc1nn(CC(=O)Nc2ccc(Cn3cccn3)cc2)c(C)c1[N+](=O)[O-] ZINC000002760706 539351710 /nfs/dbraw/zinc/35/17/10/539351710.db2.gz XQLZPFKIFQAJPL-UHFFFAOYSA-N 0 0 354.370 2.292 50 5 FEBARN CCCn1c(N)c(Sc2ccccc2[N+](=O)[O-])c(=O)n(CCC)c1=O ZINC000003249230 539361890 /nfs/dbraw/zinc/36/18/90/539361890.db2.gz UVQCZKPBLBDFRC-UHFFFAOYSA-N 0 0 364.427 2.472 50 5 FEBARN Cc1ccc(-n2nnc3c2ncn(Cc2ccc([N+](=O)[O-])cc2)c3=O)cc1 ZINC000004266776 539380572 /nfs/dbraw/zinc/38/05/72/539380572.db2.gz NNHXOBZQEDUIAL-UHFFFAOYSA-N 0 0 362.349 2.242 50 5 FEBARN Cc1ccc(-n2nnc3c2ncn(Cc2cccc([N+](=O)[O-])c2)c3=O)cc1 ZINC000004266778 539380905 /nfs/dbraw/zinc/38/09/05/539380905.db2.gz UXVYRXCOWHCFKK-UHFFFAOYSA-N 0 0 362.349 2.242 50 5 FEBARN Cc1cccn2c(=O)nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc12 ZINC000004504049 539386495 /nfs/dbraw/zinc/38/64/95/539386495.db2.gz AMHKXJUEXFGLNY-UHFFFAOYSA-N 0 0 371.378 2.037 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000004749767 539392376 /nfs/dbraw/zinc/39/23/76/539392376.db2.gz KWWSEMXWIUAAIS-UHFFFAOYSA-N 0 0 369.377 2.248 50 5 FEBARN CC(C)(C)C(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004839431 539392965 /nfs/dbraw/zinc/39/29/65/539392965.db2.gz LRZVPPOAJMMYSJ-UHFFFAOYSA-N 0 0 350.371 2.203 50 5 FEBARN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)s1 ZINC000004895685 539395081 /nfs/dbraw/zinc/39/50/81/539395081.db2.gz MFOGNJYOFXBQAN-UHFFFAOYSA-N 0 0 363.399 2.098 50 5 FEBARN Cc1nn([C@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000005798656 539417621 /nfs/dbraw/zinc/41/76/21/539417621.db2.gz KQYRRODYSOIZHX-OAHLLOKOSA-N 0 0 357.414 2.318 50 5 FEBARN COc1ccccc1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000010327790 539516041 /nfs/dbraw/zinc/51/60/41/539516041.db2.gz LMTRGSAAUQGOJQ-UHFFFAOYSA-N 0 0 357.366 2.209 50 5 FEBARN C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000012973511 539580596 /nfs/dbraw/zinc/58/05/96/539580596.db2.gz CPOCEKOTPXWPRZ-ZDUSSCGKSA-N 0 0 367.365 2.432 50 5 FEBARN Cc1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000012946834 539580741 /nfs/dbraw/zinc/58/07/41/539580741.db2.gz PJCDHAZKBFYILU-UHFFFAOYSA-N 0 0 360.414 2.267 50 5 FEBARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000012992977 539581373 /nfs/dbraw/zinc/58/13/73/539581373.db2.gz ZAIGFUNAPJHQEV-UHFFFAOYSA-N 0 0 355.394 2.357 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000013324474 539585969 /nfs/dbraw/zinc/58/59/69/539585969.db2.gz QJDCJYOSVYFDHI-UHFFFAOYSA-N 0 0 371.397 2.348 50 5 FEBARN COc1ccc(NC(=O)NCCCOC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000014201228 539598964 /nfs/dbraw/zinc/59/89/64/539598964.db2.gz IADJYFSTGVLKBB-CYBMUJFWSA-N 0 0 353.375 2.311 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000014246423 539599669 /nfs/dbraw/zinc/59/96/69/539599669.db2.gz SPSBZYLPRMXDTO-QMMMGPOBSA-N 0 0 364.387 2.044 50 5 FEBARN O=C(NCc1nnc2n1CCCCC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000014485162 539603652 /nfs/dbraw/zinc/60/36/52/539603652.db2.gz WMUCLXJSWTXRIZ-UHFFFAOYSA-N 0 0 370.413 2.417 50 5 FEBARN C[C@H](C(=O)NCc1cccs1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014924030 539606596 /nfs/dbraw/zinc/60/65/96/539606596.db2.gz PBDDLZAWJREFLD-CQSZACIVSA-N 0 0 374.466 2.483 50 5 FEBARN O=C(CN1C(=O)c2ccccc2C1=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016709262 539635687 /nfs/dbraw/zinc/63/56/87/539635687.db2.gz HHTNEUJVYUPYHY-UHFFFAOYSA-N 0 0 365.345 2.170 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019831962 539669714 /nfs/dbraw/zinc/66/97/14/539669714.db2.gz PDIFAQJHRIZGPA-UHFFFAOYSA-N 0 0 370.365 2.461 50 5 FEBARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000023744555 539719992 /nfs/dbraw/zinc/71/99/92/539719992.db2.gz SRIDAMMTHJSLJR-OAHLLOKOSA-N 0 0 361.423 2.460 50 5 FEBARN CC(C)c1noc(CN2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)n1 ZINC000024977751 539745132 /nfs/dbraw/zinc/74/51/32/539745132.db2.gz ZUICFKXGJHXXGY-UHFFFAOYSA-N 0 0 371.401 2.071 50 5 FEBARN CS(=O)(=O)c1ccc(NC[C@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000040083177 540005656 /nfs/dbraw/zinc/00/56/56/540005656.db2.gz OQHAQKJXKAARNR-HNNXBMFYSA-N 0 0 354.359 2.283 50 5 FEBARN O=[N+]([O-])c1cc(COc2cccc(-n3cnnn3)c2)c2c(c1)COCO2 ZINC000005474384 219682462 /nfs/dbraw/zinc/68/24/62/219682462.db2.gz LOHOKSFPVIZNLQ-UHFFFAOYSA-N 0 0 355.310 2.016 50 5 FEBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2 ZINC000004089036 209411953 /nfs/dbraw/zinc/41/19/53/209411953.db2.gz OZRVOVGGNCKKBB-UHFFFAOYSA-N 0 0 352.759 2.163 50 5 FEBARN CC(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002485196 209394830 /nfs/dbraw/zinc/39/48/30/209394830.db2.gz REFVFRXKMRWJNM-UHFFFAOYSA-N 0 0 355.397 2.479 50 5 FEBARN O=[N+]([O-])c1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 ZINC000058165812 540830432 /nfs/dbraw/zinc/83/04/32/540830432.db2.gz LDKQLNZLWSGENX-UHFFFAOYSA-N 0 0 358.398 2.313 50 5 FEBARN CCOc1ccc(C(=O)NCC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000048356058 209331999 /nfs/dbraw/zinc/33/19/99/209331999.db2.gz VEXZTKFHKTWDNM-UHFFFAOYSA-N 0 0 357.366 2.040 50 5 FEBARN O=C(CSc1ncccc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 ZINC000067648803 541495400 /nfs/dbraw/zinc/49/54/00/541495400.db2.gz VFEYEDLMDYGPDS-NSHDSACASA-N 0 0 361.379 2.038 50 5 FEBARN CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069324016 541677916 /nfs/dbraw/zinc/67/79/16/541677916.db2.gz PCFPMQKRRCMRDX-AWEZNQCLSA-N 0 0 351.428 2.287 50 5 FEBARN COc1cc(OC)cc(C(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000002617043 206922790 /nfs/dbraw/zinc/92/27/90/206922790.db2.gz SVTMWVYFSLKINM-UHFFFAOYSA-N 0 0 374.349 2.085 50 5 FEBARN COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004649832 207034035 /nfs/dbraw/zinc/03/40/35/207034035.db2.gz UPICHFWSBLXUSF-LLVKDONJSA-N 0 0 374.378 2.345 50 5 FEBARN C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)c(=O)n2C)c1ccccc1 ZINC000004856968 207055917 /nfs/dbraw/zinc/05/59/17/207055917.db2.gz OSFMCKVTXCZYGY-NSHDSACASA-N 0 0 354.366 2.319 50 5 FEBARN CCOC(=O)N1CCN(C(=O)CSc2ccsc2[N+](=O)[O-])CC1 ZINC000005069096 207078508 /nfs/dbraw/zinc/07/85/08/207078508.db2.gz YSPHTYORRQRERY-UHFFFAOYSA-N 0 0 359.429 2.049 50 5 FEBARN O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000005579467 207107265 /nfs/dbraw/zinc/10/72/65/207107265.db2.gz OWBOVLKWWZGPEF-UHFFFAOYSA-N 0 0 363.273 2.103 50 5 FEBARN COc1ccc(CNC(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005673440 207111631 /nfs/dbraw/zinc/11/16/31/207111631.db2.gz XDIUQFUNSGLORF-LBPRGKRZSA-N 0 0 358.350 2.465 50 5 FEBARN CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007248064 207190973 /nfs/dbraw/zinc/19/09/73/207190973.db2.gz XBPRRBQLFVTIBW-ZDUSSCGKSA-N 0 0 364.379 2.055 50 5 FEBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1cccc(F)c1 ZINC000008632788 207239220 /nfs/dbraw/zinc/23/92/20/207239220.db2.gz GNJNHEQKVOGSOV-UHFFFAOYSA-N 0 0 358.281 2.073 50 5 FEBARN O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc2c(s1)CCCC2 ZINC000009449474 207271231 /nfs/dbraw/zinc/27/12/31/207271231.db2.gz QSQPICGZGIYVBV-UHFFFAOYSA-N 0 0 374.378 2.477 50 5 FEBARN COc1cc(CCNC(=O)c2cc(C(C)=O)c[nH]2)c([N+](=O)[O-])cc1OC ZINC000011082041 207309811 /nfs/dbraw/zinc/30/98/11/207309811.db2.gz MGLOQIASLKIQQI-UHFFFAOYSA-N 0 0 361.354 2.115 50 5 FEBARN CCn1c(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)nc2ccccc21 ZINC000012559702 207393850 /nfs/dbraw/zinc/39/38/50/207393850.db2.gz LSJTVOBUXPUWCJ-UHFFFAOYSA-N 0 0 356.386 2.094 50 5 FEBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000012778187 207419845 /nfs/dbraw/zinc/41/98/45/207419845.db2.gz QKSMGKBBEYZSPB-CYBMUJFWSA-N 0 0 368.393 2.468 50 5 FEBARN Cc1ccc(F)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000021698844 207776842 /nfs/dbraw/zinc/77/68/42/207776842.db2.gz DZLHJQRPXLVPEN-UHFFFAOYSA-N 0 0 362.361 2.497 50 5 FEBARN CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3c2cc([N+](=O)[O-])cc3C)N2CCC[C@H]12 ZINC000036044357 208142253 /nfs/dbraw/zinc/14/22/53/208142253.db2.gz NYPNDGMZDCMCRO-DFHBCGBQSA-N 0 0 359.382 2.098 50 5 FEBARN CC(C)(C)c1nc(CN2C(=O)N[C@](C)(c3cccc([N+](=O)[O-])c3)C2=O)no1 ZINC000047357282 208377605 /nfs/dbraw/zinc/37/76/05/208377605.db2.gz UZGMLEYZPHFROH-QGZVFWFLSA-N 0 0 373.369 2.243 50 5 FEBARN CCOc1ccccc1C(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000048364517 208404667 /nfs/dbraw/zinc/40/46/67/208404667.db2.gz TVTFEDIVTVQUPW-UHFFFAOYSA-N 0 0 357.366 2.040 50 5 FEBARN C[C@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)NC1CCCC1 ZINC000065893030 208693648 /nfs/dbraw/zinc/69/36/48/208693648.db2.gz AMRZYEKBGCAEEB-LBPRGKRZSA-N 0 0 358.398 2.113 50 5 FEBARN CNC(=O)c1ccc(N2CCOC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000095408679 132210760 /nfs/dbraw/zinc/21/07/60/132210760.db2.gz PNMSSSODTACHBI-MRXNPFEDSA-N 0 0 355.394 2.402 50 5 FEBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000102782622 132236217 /nfs/dbraw/zinc/23/62/17/132236217.db2.gz UPPLEJBTINSBBP-GASCZTMLSA-N 0 0 373.409 2.236 50 5 FEBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 ZINC000005711306 132258427 /nfs/dbraw/zinc/25/84/27/132258427.db2.gz TUPLFWGTFTUVPA-UHFFFAOYSA-N 0 0 357.366 2.449 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1 ZINC000007095210 132259147 /nfs/dbraw/zinc/25/91/47/132259147.db2.gz QSVPVINNTMGCDD-UHFFFAOYSA-N 0 0 369.377 2.100 50 5 FEBARN C[C@@H]1Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2N(C)C1=O ZINC000041014449 136120734 /nfs/dbraw/zinc/12/07/34/136120734.db2.gz RSMNEEFBUPSTLQ-NSHDSACASA-N 0 0 371.349 2.356 50 5 FEBARN C[C@H]1Oc2ccc(NC(=O)COc3cccc([N+](=O)[O-])c3)cc2N(C)C1=O ZINC000041155604 136120880 /nfs/dbraw/zinc/12/08/80/136120880.db2.gz UKCBMQZMMMAZHD-LLVKDONJSA-N 0 0 371.349 2.356 50 5 FEBARN CCNC(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000096967177 535791371 /nfs/dbraw/zinc/79/13/71/535791371.db2.gz WFOYTHTWZMTPJS-UHFFFAOYSA-N 0 0 357.208 2.209 50 5 FEBARN CC(C)[C@@H]1NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000225827381 548743987 /nfs/dbraw/zinc/74/39/87/548743987.db2.gz QZESFFNUKIBJGP-NSHDSACASA-N 0 0 356.176 2.434 50 5 FEBARN C[C@H](O)CNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000104090325 570856824 /nfs/dbraw/zinc/85/68/24/570856824.db2.gz MHUBODOCKXZYFW-AVGNSLFASA-N 0 0 371.459 2.054 50 5 FEBARN CC(C)(C)CN(CCO)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000084169840 670665021 /nfs/dbraw/zinc/66/50/21/670665021.db2.gz SHEKRGBMNZSNTE-UHFFFAOYSA-N 0 0 366.386 2.436 50 5 FEBARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000000828331 539333859 /nfs/dbraw/zinc/33/38/59/539333859.db2.gz UASDNLRYWOEUCM-AWEZNQCLSA-N 0 0 368.345 2.374 50 5 FEBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1F ZINC000000943325 539335768 /nfs/dbraw/zinc/33/57/68/539335768.db2.gz HNXDCWGQGMHUOL-UHFFFAOYSA-N 0 0 357.297 2.359 50 5 FEBARN Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 ZINC000001138552 539339191 /nfs/dbraw/zinc/33/91/91/539339191.db2.gz POQYZFLYWQQCTF-UHFFFAOYSA-N 0 0 363.395 2.308 50 5 FEBARN CCOC(=O)CSc1ccc(C(=O)NCCCOC)cc1[N+](=O)[O-] ZINC000003020310 539359089 /nfs/dbraw/zinc/35/90/89/539359089.db2.gz VYGSSBQQGJMUAP-UHFFFAOYSA-N 0 0 356.400 2.016 50 5 FEBARN Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000003293128 539362679 /nfs/dbraw/zinc/36/26/79/539362679.db2.gz IGISYNWJDRXHSZ-UHFFFAOYSA-N 0 0 368.349 2.435 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCc2ccccc2C1 ZINC000003318450 539362683 /nfs/dbraw/zinc/36/26/83/539362683.db2.gz FQSDUQXIDCAWRI-UHFFFAOYSA-N 0 0 354.362 2.265 50 5 FEBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc([N+](=O)[O-])o1 ZINC000003321510 539363653 /nfs/dbraw/zinc/36/36/53/539363653.db2.gz ZWJMUNDLHNOLJF-UHFFFAOYSA-N 0 0 350.239 2.320 50 5 FEBARN O=C(OCn1nnc2ccccc2c1=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003257450 539362154 /nfs/dbraw/zinc/36/21/54/539362154.db2.gz JTRAOGIJOIXFSY-UHFFFAOYSA-N 0 0 360.713 2.168 50 5 FEBARN COc1ccc(CCNC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000003502578 539368774 /nfs/dbraw/zinc/36/87/74/539368774.db2.gz CPHNNAWGVNBXDB-UHFFFAOYSA-N 0 0 358.350 2.119 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(CO)cc1 ZINC000003418606 539364959 /nfs/dbraw/zinc/36/49/59/539364959.db2.gz IQNRIGZLRGTKNC-NSHDSACASA-N 0 0 374.349 2.280 50 5 FEBARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003386367 539365240 /nfs/dbraw/zinc/36/52/40/539365240.db2.gz IGXWAPKTGVLXKC-UHFFFAOYSA-N 0 0 357.750 2.029 50 5 FEBARN COc1ccccc1CNC(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000003621776 539372501 /nfs/dbraw/zinc/37/25/01/539372501.db2.gz GPQFTPYLFJARAL-UHFFFAOYSA-N 0 0 374.349 2.085 50 5 FEBARN COc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000005019987 539400077 /nfs/dbraw/zinc/40/00/77/539400077.db2.gz YEWLCCUSUVOTQC-UHFFFAOYSA-N 0 0 371.393 2.331 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)NC(=O)c1ccccc1 ZINC000007108070 539447667 /nfs/dbraw/zinc/44/76/67/539447667.db2.gz FWCHVCDCVMAOGG-UHFFFAOYSA-N 0 0 362.725 2.362 50 5 FEBARN CCN1C[C@H](CN(C)c2ccc(C(N)=O)cc2[N+](=O)[O-])Oc2ccccc21 ZINC000008779991 539493208 /nfs/dbraw/zinc/49/32/08/539493208.db2.gz CQKLSACEVBCFLR-AWEZNQCLSA-N 0 0 370.409 2.417 50 5 FEBARN CCNC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000014163843 539597198 /nfs/dbraw/zinc/59/71/98/539597198.db2.gz QCAVVPURKRJDOV-UHFFFAOYSA-N 0 0 371.349 2.368 50 5 FEBARN Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000014227530 539600205 /nfs/dbraw/zinc/60/02/05/539600205.db2.gz LPJGJFUAJNXJHZ-CYBMUJFWSA-N 0 0 359.386 2.040 50 5 FEBARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)O[C@@H](C)C1 ZINC000015173735 539613592 /nfs/dbraw/zinc/61/35/92/539613592.db2.gz HDQQCGOTXLEQLS-BETUJISGSA-N 0 0 371.459 2.239 50 5 FEBARN CCOC(=O)[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016695258 539636099 /nfs/dbraw/zinc/63/60/99/539636099.db2.gz TUMSHZROBYSAOA-OAHLLOKOSA-N 0 0 350.371 2.379 50 5 FEBARN O=[N+]([O-])c1c2nonc2c(Nc2ccc3c(c2)OCO3)cc1NCCO ZINC000020108057 539672473 /nfs/dbraw/zinc/67/24/73/539672473.db2.gz YHOPQTHTKFISCX-UHFFFAOYSA-N 0 0 359.298 2.008 50 5 FEBARN CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000021327390 539682881 /nfs/dbraw/zinc/68/28/81/539682881.db2.gz JYSJQICKWJRYPK-SNVBAGLBSA-N 0 0 361.358 2.138 50 5 FEBARN CN(C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000023107811 539705670 /nfs/dbraw/zinc/70/56/70/539705670.db2.gz PAOZWDQUKDSIFW-CYBMUJFWSA-N 0 0 355.441 2.238 50 5 FEBARN O=C(NCc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000023955872 539722468 /nfs/dbraw/zinc/72/24/68/539722468.db2.gz LCQLJKIJPXPGMZ-UHFFFAOYSA-N 0 0 355.394 2.357 50 5 FEBARN Cc1nc2ncnn2c(C)c1CCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000024237844 539728166 /nfs/dbraw/zinc/72/81/66/539728166.db2.gz QHUGUFFOXSJYMB-UHFFFAOYSA-N 0 0 355.354 2.325 50 5 FEBARN O=C(c1ccc(NCCc2cccnc2)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000032829439 539955498 /nfs/dbraw/zinc/95/54/98/539955498.db2.gz ONTXSBHLKALEJA-UHFFFAOYSA-N 0 0 356.382 2.117 50 5 FEBARN Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000056071947 540699375 /nfs/dbraw/zinc/69/93/75/540699375.db2.gz LCGVUGOSQOQEGM-LLVKDONJSA-N 0 0 352.416 2.023 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000004497341 209421545 /nfs/dbraw/zinc/42/15/45/209421545.db2.gz XSTAWWPXGWNBGS-CQSZACIVSA-N 0 0 357.341 2.198 50 5 FEBARN CC(=O)NCC1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 ZINC000044636581 209320284 /nfs/dbraw/zinc/32/02/84/209320284.db2.gz USOUNXSFUCIYAA-UHFFFAOYSA-N 0 0 374.441 2.183 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@H]2C2OCCO2)c1C ZINC000060348772 541106756 /nfs/dbraw/zinc/10/67/56/541106756.db2.gz QHKMBTZXEKXNRA-AWEZNQCLSA-N 0 0 370.427 2.128 50 5 FEBARN CCN(C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-])[C@@H](C)COC ZINC000071801260 541772787 /nfs/dbraw/zinc/77/27/87/541772787.db2.gz JNIHLJPKRUZFBN-JTQLQIEISA-N 0 0 356.375 2.118 50 5 FEBARN CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000072307294 541798242 /nfs/dbraw/zinc/79/82/42/541798242.db2.gz OEEABHIDGHBTMV-CYBMUJFWSA-N 0 0 357.432 2.120 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)NCc3ccncc3)o2)c(C)c1[N+](=O)[O-] ZINC000000997990 206853855 /nfs/dbraw/zinc/85/38/55/206853855.db2.gz PZVBJVLUTWOWKT-UHFFFAOYSA-N 0 0 355.354 2.374 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)c(C)c1[N+](=O)[O-] ZINC000002777887 206933167 /nfs/dbraw/zinc/93/31/67/206933167.db2.gz METDOOFWYYRSEZ-GHMZBOCLSA-N 0 0 362.386 2.299 50 5 FEBARN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003907171 206995247 /nfs/dbraw/zinc/99/52/47/206995247.db2.gz KQBOKXSMTVRXGT-AWEZNQCLSA-N 0 0 358.358 2.214 50 5 FEBARN CN(C)S(=O)(=O)Oc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004090220 207000389 /nfs/dbraw/zinc/00/03/89/207000389.db2.gz OMTNGMWZRPMOOV-UHFFFAOYSA-N 0 0 365.367 2.032 50 5 FEBARN COc1cc([C@H]2Nc3ccc([N+](=O)[O-])cc3C(=O)N2)cc(OC)c1OC ZINC000004299772 207010488 /nfs/dbraw/zinc/01/04/88/207010488.db2.gz ZKCIRVWBJSGDGE-INIZCTEOSA-N 0 0 359.338 2.475 50 5 FEBARN CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=S)N=C(C)C1C(=O)OC ZINC000005102324 207080875 /nfs/dbraw/zinc/08/08/75/207080875.db2.gz KXKFZAZECOHCKS-AWEZNQCLSA-N 0 0 365.411 2.349 50 5 FEBARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)N1 ZINC000006394370 207139761 /nfs/dbraw/zinc/13/97/61/207139761.db2.gz ZXCFRGUOAKYJAF-TVQRCGJNSA-N 0 0 361.276 2.221 50 5 FEBARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000008327556 207230307 /nfs/dbraw/zinc/23/03/07/207230307.db2.gz WJWLSNUVIZKCBA-UHFFFAOYSA-N 0 0 350.283 2.244 50 5 FEBARN CCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1C ZINC000009191887 207260599 /nfs/dbraw/zinc/26/05/99/207260599.db2.gz XZPMKSCOSLJLNQ-UHFFFAOYSA-N 0 0 363.395 2.454 50 5 FEBARN CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012406479 207371965 /nfs/dbraw/zinc/37/19/65/207371965.db2.gz DTZQXHLWPPCXCM-UHFFFAOYSA-N 0 0 363.395 2.074 50 5 FEBARN COc1c(/C=c2\sc3nc4ccccc4n3c2=O)cccc1[N+](=O)[O-] ZINC000012418052 207374128 /nfs/dbraw/zinc/37/41/28/207374128.db2.gz HYSMSHDXQJAJMH-ZROIWOOFSA-N 0 0 353.359 2.374 50 5 FEBARN C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000032860094 208050208 /nfs/dbraw/zinc/05/02/08/208050208.db2.gz NFQHJXWQQLTOKP-LBPRGKRZSA-N 0 0 369.381 2.190 50 5 FEBARN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCc2ccccc21 ZINC000032724184 208036883 /nfs/dbraw/zinc/03/68/83/208036883.db2.gz WOVJBUSZGIAVKG-UHFFFAOYSA-N 0 0 370.317 2.070 50 5 FEBARN CS(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000032743555 208039047 /nfs/dbraw/zinc/03/90/47/208039047.db2.gz SMNVSGAQRPURCK-UHFFFAOYSA-N 0 0 364.379 2.382 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000032771253 208041945 /nfs/dbraw/zinc/04/19/45/208041945.db2.gz ARJJEPZMSWCEDN-OAHLLOKOSA-N 0 0 366.370 2.496 50 5 FEBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)NC(=O)c1ccccc1N2 ZINC000034811785 208111571 /nfs/dbraw/zinc/11/15/71/208111571.db2.gz BLBQVKMZROJRAN-UHFFFAOYSA-N 0 0 366.377 2.383 50 5 FEBARN CCn1cc(Cl)c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000036611167 208165202 /nfs/dbraw/zinc/16/52/02/208165202.db2.gz UHORMWWRRKNLIA-UHFFFAOYSA-N 0 0 358.807 2.285 50 5 FEBARN Cc1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)c1[N+](=O)[O-] ZINC000040117766 208229296 /nfs/dbraw/zinc/22/92/96/208229296.db2.gz XYBUOPOUKMXJML-SFHVURJKSA-N 0 0 368.349 2.210 50 5 FEBARN Cc1ccc(N2CCC[C@H]2COC(=O)Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000095942885 209087865 /nfs/dbraw/zinc/08/78/65/209087865.db2.gz KTWPEAVPTGEVLV-INIZCTEOSA-N 0 0 356.382 2.448 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000009364164 132378646 /nfs/dbraw/zinc/37/86/46/132378646.db2.gz CMPHYEPZTOOVFP-UHFFFAOYSA-N 0 0 367.452 2.476 50 5 FEBARN O=C(NCCNc1cnccn1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000048237205 136123104 /nfs/dbraw/zinc/12/31/04/136123104.db2.gz DFCTXHFITKULLP-UHFFFAOYSA-N 0 0 370.413 2.217 50 5 FEBARN CO[C@@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000048276522 136123270 /nfs/dbraw/zinc/12/32/70/136123270.db2.gz CVJHSKHFAUTYPL-JTQLQIEISA-N 0 0 361.320 2.297 50 5 FEBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000103555645 543114239 /nfs/dbraw/zinc/11/42/39/543114239.db2.gz BKCHBGKVJZTYME-GDBMZVCRSA-N 0 0 369.308 2.335 50 5 FEBARN CCC(=O)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000003998694 535307759 /nfs/dbraw/zinc/30/77/59/535307759.db2.gz NGMHBBSOPVLMML-UHFFFAOYSA-N 0 0 350.394 2.393 50 5 FEBARN Cc1noc(C)c1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000170599947 546163133 /nfs/dbraw/zinc/16/31/33/546163133.db2.gz DYDPLOLYLOCSOP-UHFFFAOYSA-N 0 0 370.413 2.394 50 5 FEBARN CC(C)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@H]3N=NN4c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000245234367 548901836 /nfs/dbraw/zinc/90/18/36/548901836.db2.gz ANHVUSZOMDZTPV-BWVIJFMTSA-N 0 0 369.381 2.179 50 5 FEBARN COC(=O)c1cccc(-c2nnn(Cc3ccc([N+](=O)[O-])cc3F)n2)c1 ZINC000083897388 571057665 /nfs/dbraw/zinc/05/76/65/571057665.db2.gz DHGAQXGHTGNALS-UHFFFAOYSA-N 0 0 357.301 2.222 50 5 FEBARN O=c1/c(=C/c2ccccc2)sc2nnc(-c3ccc([N+](=O)[O-])cc3)n12 ZINC000000677135 539332124 /nfs/dbraw/zinc/33/21/24/539332124.db2.gz UIBDSZZGQAAVMK-UVTDQMKNSA-N 0 0 350.359 2.274 50 5 FEBARN Cc1ccc(-c2c3c(c4nnc5ccccc5n42)n(C)c(=O)n(C)c3=O)cc1 ZINC000000804792 539333980 /nfs/dbraw/zinc/33/39/80/539333980.db2.gz LIKQXXFPNIUVTE-UHFFFAOYSA-N 0 0 371.400 2.409 50 5 FEBARN COc1ccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000000869537 539334900 /nfs/dbraw/zinc/33/49/00/539334900.db2.gz HDSYWTAQKQHJQM-UHFFFAOYSA-N 0 0 366.395 2.133 50 5 FEBARN NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000000995873 539337364 /nfs/dbraw/zinc/33/73/64/539337364.db2.gz CBUOTNDFYXJJTF-UHFFFAOYSA-N 0 0 355.379 2.420 50 5 FEBARN NS(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000001753505 539343522 /nfs/dbraw/zinc/34/35/22/539343522.db2.gz JEHXRLMKUSFGEY-UHFFFAOYSA-N 0 0 354.319 2.025 50 5 FEBARN Cc1nn(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000002781926 539352499 /nfs/dbraw/zinc/35/24/99/539352499.db2.gz BDWQAFOANZPZRI-UHFFFAOYSA-N 0 0 358.807 2.122 50 5 FEBARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002927073 539356706 /nfs/dbraw/zinc/35/67/06/539356706.db2.gz XLIDVEPYPSWKET-HNNXBMFYSA-N 0 0 363.370 2.145 50 5 FEBARN COC(=O)c1ccc(S(=O)(=O)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000003020016 539358648 /nfs/dbraw/zinc/35/86/48/539358648.db2.gz DUWSZSLPSDMZJJ-UHFFFAOYSA-N 0 0 353.327 2.494 50 5 FEBARN COC(=O)c1cccc(NC=C([N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 ZINC000003128145 539359913 /nfs/dbraw/zinc/35/99/13/539359913.db2.gz GOZFSCPJYIPGGM-RVDMUPIBSA-N 0 0 362.363 2.435 50 5 FEBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003066893 539359988 /nfs/dbraw/zinc/35/99/88/539359988.db2.gz WNBFLDDGYVKBIK-AWEZNQCLSA-N 0 0 361.379 2.418 50 5 FEBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1Cl ZINC000003228705 539360633 /nfs/dbraw/zinc/36/06/33/539360633.db2.gz ZCPRMAIEXCAROK-UHFFFAOYSA-N 0 0 359.725 2.483 50 5 FEBARN COc1cccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000003525203 539369747 /nfs/dbraw/zinc/36/97/47/539369747.db2.gz SUENRLSWGAOSAX-UHFFFAOYSA-N 0 0 360.322 2.164 50 5 FEBARN C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000003598645 539371424 /nfs/dbraw/zinc/37/14/24/539371424.db2.gz MGKXCTUIXIHKOC-LLVKDONJSA-N 0 0 365.345 2.169 50 5 FEBARN COc1ccc(N2C[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497196 539385204 /nfs/dbraw/zinc/38/52/04/539385204.db2.gz JLTHRJFULNRSRN-AWEZNQCLSA-N 0 0 369.377 2.068 50 5 FEBARN COc1ccccc1Nc1nc(N2CCN(C)CC2)nc(C)c1[N+](=O)[O-] ZINC000005336459 539408314 /nfs/dbraw/zinc/40/83/14/539408314.db2.gz UIZQPKQEQDTPSG-UHFFFAOYSA-N 0 0 358.402 2.197 50 5 FEBARN COC(=O)c1cc(C(=O)OCC(=O)N(C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000005505869 539411862 /nfs/dbraw/zinc/41/18/62/539411862.db2.gz OPYZLSJMXLWYLR-UHFFFAOYSA-N 0 0 372.333 2.201 50 5 FEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)CCC1=O ZINC000005947211 539419404 /nfs/dbraw/zinc/41/94/04/539419404.db2.gz JISATHJQAVNODM-MRXNPFEDSA-N 0 0 367.361 2.294 50 5 FEBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@H]1CCCCC1=O ZINC000006097972 539421953 /nfs/dbraw/zinc/42/19/53/539421953.db2.gz ASTBRDXUFTWUTD-ZDUSSCGKSA-N 0 0 354.746 2.033 50 5 FEBARN Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)nc1 ZINC000008720843 539490830 /nfs/dbraw/zinc/49/08/30/539490830.db2.gz YLMFFUFUEYFKKM-UHFFFAOYSA-N 0 0 355.398 2.302 50 5 FEBARN COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccc(C)cc2)C(=O)NC[C@@H]1c1ccco1 ZINC000012437196 539560427 /nfs/dbraw/zinc/56/04/27/539560427.db2.gz YWSUKQJIAHDNEA-SPYBWZPUSA-N 0 0 372.377 2.021 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000018244142 539649154 /nfs/dbraw/zinc/64/91/54/539649154.db2.gz WYIXLIDPMAPGLL-KBPBESRZSA-N 0 0 357.366 2.183 50 5 FEBARN CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C ZINC000021187202 539681448 /nfs/dbraw/zinc/68/14/48/539681448.db2.gz FPSLJCCLNGHKPE-ZDUSSCGKSA-N 0 0 368.846 2.471 50 5 FEBARN COc1ccc(CC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024151613 539726735 /nfs/dbraw/zinc/72/67/35/539726735.db2.gz PXSYUQDQXOBUEF-OAHLLOKOSA-N 0 0 360.366 2.004 50 5 FEBARN O=C(NCCCOc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000025908774 539772067 /nfs/dbraw/zinc/77/20/67/539772067.db2.gz GPDNKRZRWFSBPD-UHFFFAOYSA-N 0 0 367.365 2.374 50 5 FEBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000033335261 209857718 /nfs/dbraw/zinc/85/77/18/209857718.db2.gz IOFQWDYNTLOPPW-SREVYHEPSA-N 0 0 355.350 2.186 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000001076853 219365007 /nfs/dbraw/zinc/36/50/07/219365007.db2.gz RAWPXFZZVPESBN-UHFFFAOYSA-N 0 0 364.379 2.324 50 5 FEBARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001119487 219373351 /nfs/dbraw/zinc/37/33/51/219373351.db2.gz BUPVGZMGQIXZMO-GFCCVEGCSA-N 0 0 363.395 2.209 50 5 FEBARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000027584350 539811155 /nfs/dbraw/zinc/81/11/55/539811155.db2.gz YSNVYUQPRPZPJQ-HNNXBMFYSA-N 0 0 361.423 2.460 50 5 FEBARN CN(C)C(=O)c1ccc(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032721662 539948791 /nfs/dbraw/zinc/94/87/91/539948791.db2.gz FPHBGFZQUVOXOT-UHFFFAOYSA-N 0 0 367.365 2.285 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(c2nccs2)CC1 ZINC000057460482 540798178 /nfs/dbraw/zinc/79/81/78/540798178.db2.gz DBIFYODUSPYSHI-UHFFFAOYSA-N 0 0 361.427 2.120 50 5 FEBARN CCOC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CC(C)C)c1=N ZINC000101035351 209220124 /nfs/dbraw/zinc/22/01/24/209220124.db2.gz MTCCKWACKJNZMR-UHFFFAOYSA-N 0 0 354.410 2.270 50 5 FEBARN CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N ZINC000100627834 209216122 /nfs/dbraw/zinc/21/61/22/209216122.db2.gz MNTIFUCGHKOFOP-UHFFFAOYSA-N 0 0 365.437 2.384 50 5 FEBARN CCN(C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-])[C@H](C)COC ZINC000071801261 541773033 /nfs/dbraw/zinc/77/30/33/541773033.db2.gz JNIHLJPKRUZFBN-SNVBAGLBSA-N 0 0 356.375 2.118 50 5 FEBARN Cc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1[N+](=O)[O-] ZINC000003905198 206994747 /nfs/dbraw/zinc/99/47/47/206994747.db2.gz MGMBFYUIGLFPEC-UHFFFAOYSA-N 0 0 353.425 2.369 50 5 FEBARN COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3C(=O)N2)cc(OC)c1OC ZINC000004299771 207011122 /nfs/dbraw/zinc/01/11/22/207011122.db2.gz ZKCIRVWBJSGDGE-MRXNPFEDSA-N 0 0 359.338 2.475 50 5 FEBARN COc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004696282 207038606 /nfs/dbraw/zinc/03/86/06/207038606.db2.gz KJIDXRWZTNTXCE-UHFFFAOYSA-N 0 0 364.379 2.157 50 5 FEBARN CC[C@@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)NCCCN1CCCC1=O ZINC000004750439 207046094 /nfs/dbraw/zinc/04/60/94/207046094.db2.gz ZRTRIADVGABVTH-MRXNPFEDSA-N 0 0 363.414 2.189 50 5 FEBARN COCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000004906698 207060621 /nfs/dbraw/zinc/06/06/21/207060621.db2.gz HBNJWCRIOBGBTJ-LBPRGKRZSA-N 0 0 368.773 2.315 50 5 FEBARN COc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005034717 207074996 /nfs/dbraw/zinc/07/49/96/207074996.db2.gz WGSBPMUOZPOXCC-UHFFFAOYSA-N 0 0 374.378 2.286 50 5 FEBARN CCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1OCC ZINC000006119999 207130946 /nfs/dbraw/zinc/13/09/46/207130946.db2.gz MMMYSYLRADWMQN-UHFFFAOYSA-N 0 0 361.354 2.193 50 5 FEBARN Cn1ccnc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008720028 207243709 /nfs/dbraw/zinc/24/37/09/207243709.db2.gz ONYGWDGUMGHCMI-MRXNPFEDSA-N 0 0 372.406 2.396 50 5 FEBARN CNC(=O)c1cccc(NC(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000009316422 207266190 /nfs/dbraw/zinc/26/61/90/207266190.db2.gz MACHKYFDMXHKRS-UHFFFAOYSA-N 0 0 371.349 2.058 50 5 FEBARN CN1CCN(c2ccc(C(=O)NCc3ccc(F)cc3)cc2[N+](=O)[O-])CC1 ZINC000012564312 207394699 /nfs/dbraw/zinc/39/46/99/207394699.db2.gz GRMMWDWYUVZKBH-UHFFFAOYSA-N 0 0 372.400 2.416 50 5 FEBARN C[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)O1 ZINC000021821816 207786129 /nfs/dbraw/zinc/78/61/29/207786129.db2.gz JKICJQKNLPETJK-UWVGGRQHSA-N 0 0 372.219 2.405 50 5 FEBARN Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c1[N+](=O)[O-] ZINC000032764903 208040338 /nfs/dbraw/zinc/04/03/38/208040338.db2.gz PXVOTGHOPUUYEO-UHFFFAOYSA-N 0 0 368.349 2.207 50 5 FEBARN COCCCn1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O ZINC000038828994 208205588 /nfs/dbraw/zinc/20/55/88/208205588.db2.gz RYICPYOEIHNWBL-UHFFFAOYSA-N 0 0 362.389 2.132 50 5 FEBARN O=C(CCOc1ccc([N+](=O)[O-])cc1)NCc1ccnc(-n2cccn2)c1 ZINC000040106589 208226705 /nfs/dbraw/zinc/22/67/05/208226705.db2.gz CXSAOHHBDBISJB-UHFFFAOYSA-N 0 0 367.365 2.261 50 5 FEBARN CCOC(=O)c1cc(C(=O)N(CC)C[C@H](C)C(=O)OC)cc([N+](=O)[O-])c1 ZINC000058266452 208574769 /nfs/dbraw/zinc/57/47/69/208574769.db2.gz FJUNSPZZKYPSQU-NSHDSACASA-N 0 0 366.370 2.043 50 5 FEBARN C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000095462526 209054599 /nfs/dbraw/zinc/05/45/99/209054599.db2.gz UTHTXDCUROUNCI-JTQLQIEISA-N 0 0 353.375 2.232 50 5 FEBARN Cc1nc(N2CCC(C(N)=O)CC2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000036708767 132939978 /nfs/dbraw/zinc/93/99/78/132939978.db2.gz GKMGKJCHNOOPSF-UHFFFAOYSA-N 0 0 374.376 2.278 50 5 FEBARN Cc1occc1C(=O)N1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000097220144 543008146 /nfs/dbraw/zinc/00/81/46/543008146.db2.gz OONRYFOZRSSTRC-SREVYHEPSA-N 0 0 369.377 2.494 50 5 FEBARN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CC1[N+](=O)[O-] ZINC000045939462 570914823 /nfs/dbraw/zinc/91/48/23/570914823.db2.gz QCFFKXBHGZFQAT-GWCFXTLKSA-N 0 0 359.304 2.146 50 5 FEBARN O=[N+]([O-])c1cc(Br)ccc1N1CCN([C@@H]2CCOC2)CC1 ZINC000084340761 571082851 /nfs/dbraw/zinc/08/28/51/571082851.db2.gz TXELOCZZNVPRLC-GFCCVEGCSA-N 0 0 356.220 2.268 50 5 FEBARN O=[N+]([O-])c1cnn(CCc2nc3c4c5c(sc4ncn3n2)CCC5)c1 ZINC000002786395 539352788 /nfs/dbraw/zinc/35/27/88/539352788.db2.gz FFHALEDSWQTTLL-UHFFFAOYSA-N 0 0 355.383 2.175 50 5 FEBARN COc1ccc(OC[C@@H](O)CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000002832770 539354827 /nfs/dbraw/zinc/35/48/27/539354827.db2.gz OLTBMPBSOPFACG-YKXBDCQTSA-N 0 0 372.377 2.173 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc2c(c1)OCO2 ZINC000003496525 539368564 /nfs/dbraw/zinc/36/85/64/539368564.db2.gz VRNSJWVRXKMTEK-UHFFFAOYSA-N 0 0 350.308 2.181 50 5 FEBARN COC(=O)c1ccc(COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])o1 ZINC000003411817 539365247 /nfs/dbraw/zinc/36/52/47/539365247.db2.gz SUPHIZVLQDONCJ-UHFFFAOYSA-N 0 0 365.294 2.349 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003900948 539373959 /nfs/dbraw/zinc/37/39/59/539373959.db2.gz BQZKWQTYBUIYCJ-CYBMUJFWSA-N 0 0 351.384 2.129 50 5 FEBARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000004078754 539376515 /nfs/dbraw/zinc/37/65/15/539376515.db2.gz BBFOIHDBKDUFMC-UHFFFAOYSA-N 0 0 350.352 2.110 50 5 FEBARN Cc1ccc(N2C[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004496988 539385379 /nfs/dbraw/zinc/38/53/79/539385379.db2.gz LJFMWGZZWRAGOY-HNNXBMFYSA-N 0 0 353.378 2.367 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(F)cc3)n2)C[C@@H](C)O1 ZINC000005066176 539401675 /nfs/dbraw/zinc/40/16/75/539401675.db2.gz KDSZSMHOGRSDBT-NXEZZACHSA-N 0 0 362.365 2.463 50 5 FEBARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000005864583 539418243 /nfs/dbraw/zinc/41/82/43/539418243.db2.gz JZGXTBXKIAAYAN-UHFFFAOYSA-N 0 0 361.329 2.210 50 5 FEBARN Cc1cc(NC(=O)CN2CCC(O)CC2)nc2c3ccccc3oc(=O)c12 ZINC000006472049 539428295 /nfs/dbraw/zinc/42/82/95/539428295.db2.gz ZYVXKFXEVMONML-UHFFFAOYSA-N 0 0 367.405 2.045 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000008512598 539488296 /nfs/dbraw/zinc/48/82/96/539488296.db2.gz SHYUGMCYVSHARP-KBPBESRZSA-N 0 0 370.409 2.343 50 5 FEBARN CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008517277 539488481 /nfs/dbraw/zinc/48/84/81/539488481.db2.gz KGRDZVPBSHKHEW-UHFFFAOYSA-N 0 0 360.370 2.186 50 5 FEBARN CCN(Cc1cccc(F)c1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000008706931 539489697 /nfs/dbraw/zinc/48/96/97/539489697.db2.gz ZSBFKKMOADURCH-UHFFFAOYSA-N 0 0 353.375 2.408 50 5 FEBARN COc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000009384887 539502433 /nfs/dbraw/zinc/50/24/33/539502433.db2.gz LFDFNFCUGRCRBG-LLVKDONJSA-N 0 0 374.349 2.182 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCc3ccccc32)cc1 ZINC000012537297 539563498 /nfs/dbraw/zinc/56/34/98/539563498.db2.gz IKCDODDUWKEVMU-UHFFFAOYSA-N 0 0 361.423 2.326 50 5 FEBARN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)c2ccccc21 ZINC000012544121 539564520 /nfs/dbraw/zinc/56/45/20/539564520.db2.gz IACUOUOLJFTHNK-YLJYHZDGSA-N 0 0 363.373 2.328 50 5 FEBARN NC(=O)c1ccc(N2CCC[C@@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])c1 ZINC000012549789 539564702 /nfs/dbraw/zinc/56/47/02/539564702.db2.gz MYBSDRWISPTTTA-CYBMUJFWSA-N 0 0 366.381 2.120 50 5 FEBARN Cc1nc(C)c(CCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000012767336 539572896 /nfs/dbraw/zinc/57/28/96/539572896.db2.gz AXMWRTVLBZIZRR-GFCCVEGCSA-N 0 0 358.398 2.447 50 5 FEBARN COc1ccccc1N(CCC(N)=O)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000012764764 539573155 /nfs/dbraw/zinc/57/31/55/539573155.db2.gz UYSVNUZSBLWBAI-UHFFFAOYSA-N 0 0 357.366 2.434 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3F)n2)C[C@H](C)O1 ZINC000013712266 539590199 /nfs/dbraw/zinc/59/01/99/539590199.db2.gz DNSFCABQCKQFFC-AOOOYVTPSA-N 0 0 362.365 2.463 50 5 FEBARN CN1CCN(c2ccc(-c3noc(-c4ccccn4)n3)cc2[N+](=O)[O-])CC1 ZINC000020894468 539678061 /nfs/dbraw/zinc/67/80/61/539678061.db2.gz TVRBWISCOLTQNR-UHFFFAOYSA-N 0 0 366.381 2.459 50 5 FEBARN Cc1nn(CC(=O)Nc2cccc(N3CCCC3=O)c2)c(C)c1[N+](=O)[O-] ZINC000024289751 539729064 /nfs/dbraw/zinc/72/90/64/539729064.db2.gz HBYPVFPZBMKCOK-UHFFFAOYSA-N 0 0 357.370 2.174 50 5 FEBARN C[C@H](OCc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000025152571 539750227 /nfs/dbraw/zinc/75/02/27/539750227.db2.gz UYINPBSWXLWMCJ-HNNXBMFYSA-N 0 0 370.409 2.244 50 5 FEBARN CSc1nc2ncc3c(ccn(-c4cccc([N+](=O)[O-])c4)c3=O)n2n1 ZINC000030875266 539893107 /nfs/dbraw/zinc/89/31/07/539893107.db2.gz PTKDHJKVUSCNRT-UHFFFAOYSA-N 0 0 354.351 2.059 50 5 FEBARN C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2ccccc2)C1=O ZINC000031659170 539915526 /nfs/dbraw/zinc/91/55/26/539915526.db2.gz JLAMXJAJJZQGQW-SFHVURJKSA-N 0 0 355.350 2.441 50 5 FEBARN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000032922240 539959545 /nfs/dbraw/zinc/95/95/45/539959545.db2.gz NPHSXVSIXKOCGT-GFCCVEGCSA-N 0 0 353.338 2.417 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1csc(N2CCNC2=O)n1 ZINC000032932218 539960138 /nfs/dbraw/zinc/96/01/38/539960138.db2.gz XEGFHJCWLACZJU-UHFFFAOYSA-N 0 0 361.383 2.071 50 5 FEBARN Cc1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000050321293 540404815 /nfs/dbraw/zinc/40/48/15/540404815.db2.gz DKNARRNVCNHVTO-GDBMZVCRSA-N 0 0 362.382 2.230 50 5 FEBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1COc2ccccc2O1 ZINC000008281837 219857821 /nfs/dbraw/zinc/85/78/21/219857821.db2.gz XVHQOJLJHWZBNV-INIZCTEOSA-N 0 0 373.317 2.345 50 5 FEBARN CN1N=C(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)CCC1=O ZINC000059253301 212015488 /nfs/dbraw/zinc/01/54/88/212015488.db2.gz BIDYLDWUFQGVRV-UHFFFAOYSA-N 0 0 372.303 2.094 50 5 FEBARN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NCc1ccccc1 ZINC000016282457 220180999 /nfs/dbraw/zinc/18/09/99/220180999.db2.gz KSTUTKPDXSYEPU-LBPRGKRZSA-N 0 0 357.366 2.498 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCc2c1cnn2CCO ZINC000032932677 211577209 /nfs/dbraw/zinc/57/72/09/211577209.db2.gz MDJZPUOXFFELAM-CQSZACIVSA-N 0 0 360.370 2.060 50 5 FEBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000040074148 211483826 /nfs/dbraw/zinc/48/38/26/211483826.db2.gz KRKMISFCUYTVST-UHFFFAOYSA-N 0 0 353.334 2.093 50 5 FEBARN Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000024211179 211402970 /nfs/dbraw/zinc/40/29/70/211402970.db2.gz LTIYNVLCJZNZQJ-UHFFFAOYSA-N 0 0 357.292 2.189 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000021959798 211332223 /nfs/dbraw/zinc/33/22/23/211332223.db2.gz FUUKXZVDIHIEOY-UHFFFAOYSA-N 0 0 367.405 2.488 50 5 FEBARN CCn1ncc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000020528454 211285327 /nfs/dbraw/zinc/28/53/27/211285327.db2.gz SLXTWVGPZPGRFE-UHFFFAOYSA-N 0 0 357.414 2.078 50 5 FEBARN O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000019373664 211217945 /nfs/dbraw/zinc/21/79/45/211217945.db2.gz NAXFJTVTHRGLNV-UHFFFAOYSA-N 0 0 361.423 2.101 50 5 FEBARN CCn1nc(C)c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000014229697 211087345 /nfs/dbraw/zinc/08/73/45/211087345.db2.gz MPWFLHQCAMJQHC-UHFFFAOYSA-N 0 0 352.416 2.249 50 5 FEBARN CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009337375 210828376 /nfs/dbraw/zinc/82/83/76/210828376.db2.gz BTPUDUVBZLCDSE-HNNXBMFYSA-N 0 0 363.370 2.145 50 5 FEBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)c1 ZINC000005032366 210592046 /nfs/dbraw/zinc/59/20/46/210592046.db2.gz AVNHZBDKLXKUJX-LBPRGKRZSA-N 0 0 360.374 2.310 50 5 FEBARN COc1ccccc1OCC(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000004676149 210550566 /nfs/dbraw/zinc/55/05/66/210550566.db2.gz YWZXRJOWVRVCEK-UHFFFAOYSA-N 0 0 361.379 2.495 50 5 FEBARN CCn1ncc(CN(C)C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1C ZINC000002779635 210421386 /nfs/dbraw/zinc/42/13/86/210421386.db2.gz VBWDLWQOWCPZOQ-UHFFFAOYSA-N 0 0 372.385 2.230 50 5 FEBARN COc1ccc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc1[N+](=O)[O-] ZINC000001914591 210375161 /nfs/dbraw/zinc/37/51/61/210375161.db2.gz UNXHUSRGJGPFKU-OAHLLOKOSA-N 0 0 373.369 2.435 50 5 FEBARN CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010335353 210358779 /nfs/dbraw/zinc/35/87/79/210358779.db2.gz QRLJMLJLDZKGDC-INIZCTEOSA-N 0 0 367.402 2.315 50 5 FEBARN O=C1CC[C@H](C(F)(F)F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001458141 210354618 /nfs/dbraw/zinc/35/46/18/210354618.db2.gz KRZPJIQLJAJDBI-QMMMGPOBSA-N 0 0 352.290 2.084 50 5 FEBARN O=C1CC[C@@H](C(F)(F)F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001458142 210354749 /nfs/dbraw/zinc/35/47/49/210354749.db2.gz KRZPJIQLJAJDBI-MRVPVSSYSA-N 0 0 352.290 2.084 50 5 FEBARN COC(=O)c1ccccc1C(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 ZINC000032905331 220695653 /nfs/dbraw/zinc/69/56/53/220695653.db2.gz MRUCALQQSTZLHY-UHFFFAOYSA-N 0 0 358.350 2.407 50 5 FEBARN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC2(CC1)OCCO2 ZINC000170632577 132265196 /nfs/dbraw/zinc/26/51/96/132265196.db2.gz SKXYFZHEJDGLDP-UHFFFAOYSA-N 0 0 354.334 2.254 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000001115630 132380202 /nfs/dbraw/zinc/38/02/02/132380202.db2.gz VMZWADNDNRELMW-UHFFFAOYSA-N 0 0 359.357 2.462 50 5 FEBARN Cc1ccc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000010327532 132382154 /nfs/dbraw/zinc/38/21/54/132382154.db2.gz BWCQNCORIZCHHS-UHFFFAOYSA-N 0 0 368.393 2.191 50 5 FEBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003879331 132385795 /nfs/dbraw/zinc/38/57/95/132385795.db2.gz QYINTMWTCQRGFW-UHFFFAOYSA-N 0 0 356.338 2.465 50 5 FEBARN CSc1nc2nc(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])ccn2n1 ZINC000004052541 132386184 /nfs/dbraw/zinc/38/61/84/132386184.db2.gz SBNVWSZSBXIPTH-UHFFFAOYSA-N 0 0 372.410 2.258 50 5 FEBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000004676946 132823728 /nfs/dbraw/zinc/82/37/28/132823728.db2.gz OPVZMZNECJGTHO-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN Nc1nc(Nc2cccc(Cl)c2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000009358095 132846238 /nfs/dbraw/zinc/84/62/38/132846238.db2.gz SPEUURVHFNQCRS-UHFFFAOYSA-N 0 0 350.766 2.201 50 5 FEBARN O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1O ZINC000096232669 222093343 /nfs/dbraw/zinc/09/33/43/222093343.db2.gz MEMMTDMYAHEXDG-UHFFFAOYSA-N 0 0 368.349 2.429 50 5 FEBARN CCN(CC)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000031501725 263391956 /nfs/dbraw/zinc/39/19/56/263391956.db2.gz WWKLZYAREVNHOB-UHFFFAOYSA-N 0 0 354.432 2.184 50 5 FEBARN Cn1nc(C(=O)NCc2cccnc2)cc1Oc1ccccc1[N+](=O)[O-] ZINC000086012767 527546400 /nfs/dbraw/zinc/54/64/00/527546400.db2.gz XWSSCDBBAPGQBP-UHFFFAOYSA-N 0 0 353.338 2.446 50 5 FEBARN COc1ccccc1CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004895630 537046506 /nfs/dbraw/zinc/04/65/06/537046506.db2.gz MKRYADXHFKBEIW-UHFFFAOYSA-N 0 0 371.393 2.370 50 5 FEBARN O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2[nH]1 ZINC000225395952 548732495 /nfs/dbraw/zinc/73/24/95/548732495.db2.gz PFBPCZOSSYBWTL-UHFFFAOYSA-N 0 0 368.758 2.219 50 5 FEBARN CCOc1c(Br)cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC ZINC000002459183 539348620 /nfs/dbraw/zinc/34/86/20/539348620.db2.gz SKJQOHGNTLIWTN-GWCFXTLKSA-N 0 0 373.203 2.453 50 5 FEBARN COC(=O)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 ZINC000002746146 539351699 /nfs/dbraw/zinc/35/16/99/539351699.db2.gz RJQDHOQZHBWQIM-UHFFFAOYSA-N 0 0 372.333 2.349 50 5 FEBARN COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000002785540 539352979 /nfs/dbraw/zinc/35/29/79/539352979.db2.gz FSYUAWVXBQDNNR-RYUDHWBXSA-N 0 0 362.386 2.322 50 5 FEBARN CC(C)OCC(=O)NN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004528553 539387049 /nfs/dbraw/zinc/38/70/49/539387049.db2.gz DBFTVUIDFRMXBR-KPKJPENVSA-N 0 0 365.367 2.087 50 5 FEBARN Cc1cccn2c(=O)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000004504050 539386424 /nfs/dbraw/zinc/38/64/24/539386424.db2.gz FYGYEONNJMWFIJ-UHFFFAOYSA-N 0 0 371.378 2.037 50 5 FEBARN C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000004810440 539393267 /nfs/dbraw/zinc/39/32/67/539393267.db2.gz NPMJPRRPMFYGMT-SNVBAGLBSA-N 0 0 367.358 2.039 50 5 FEBARN O=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000005398851 539410528 /nfs/dbraw/zinc/41/05/28/539410528.db2.gz LECYADZCUQSZCW-AWEZNQCLSA-N 0 0 370.277 2.068 50 5 FEBARN Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005658593 539414627 /nfs/dbraw/zinc/41/46/27/539414627.db2.gz MPTVECZWFYGOIC-UHFFFAOYSA-N 0 0 368.349 2.435 50 5 FEBARN CCN(CC(=O)Nc1ccc(OC)cc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005689756 539414900 /nfs/dbraw/zinc/41/49/00/539414900.db2.gz JSUQETBVKHCIRC-UHFFFAOYSA-N 0 0 372.381 2.167 50 5 FEBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006082901 539420620 /nfs/dbraw/zinc/42/06/20/539420620.db2.gz XZWFKFLNVJHXCE-UHFFFAOYSA-N 0 0 374.357 2.440 50 5 FEBARN CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000006552337 539430342 /nfs/dbraw/zinc/43/03/42/539430342.db2.gz NXRWHUFFJICLEO-UHFFFAOYSA-N 0 0 350.352 2.064 50 5 FEBARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)N1 ZINC000006394963 539427548 /nfs/dbraw/zinc/42/75/48/539427548.db2.gz ZXCFRGUOAKYJAF-ZANVPECISA-N 0 0 361.276 2.221 50 5 FEBARN O=C(CSc1ccc2c(c1)OCCO2)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000007239003 539452157 /nfs/dbraw/zinc/45/21/57/539452157.db2.gz MVEHXAHFATTXRV-UHFFFAOYSA-N 0 0 374.374 2.415 50 5 FEBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000008646909 539488841 /nfs/dbraw/zinc/48/88/41/539488841.db2.gz DFDINHIVQOHUKA-SFHVURJKSA-N 0 0 353.334 2.245 50 5 FEBARN CN(C)S(=O)(=O)Oc1ccsc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000008925773 539494876 /nfs/dbraw/zinc/49/48/76/539494876.db2.gz BEEMPBXRDQTUHL-UHFFFAOYSA-N 0 0 371.396 2.094 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009515490 539504262 /nfs/dbraw/zinc/50/42/62/539504262.db2.gz SJKPGQWCFIGGHC-NSHDSACASA-N 0 0 371.349 2.356 50 5 FEBARN COc1cc(CCNC(=O)COc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000009384931 539502525 /nfs/dbraw/zinc/50/25/25/539502525.db2.gz QJXKNSGMEKZBPX-UHFFFAOYSA-N 0 0 360.366 2.350 50 5 FEBARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000012736868 539571708 /nfs/dbraw/zinc/57/17/08/539571708.db2.gz QVYHGFZWOWBSGI-HNNXBMFYSA-N 0 0 360.370 2.172 50 5 FEBARN O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382095 539616888 /nfs/dbraw/zinc/61/68/88/539616888.db2.gz QGZMDCHFNLIJRC-GOSISDBHSA-N 0 0 369.377 2.083 50 5 FEBARN COC(=O)c1cccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000024366955 539730038 /nfs/dbraw/zinc/73/00/38/539730038.db2.gz YOSLGTRORFIGRC-UHFFFAOYSA-N 0 0 362.363 2.133 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000025051874 539747617 /nfs/dbraw/zinc/74/76/17/539747617.db2.gz FRTAPKJXUHDGEN-UHFFFAOYSA-N 0 0 371.349 2.437 50 5 FEBARN O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1nc2ccccc2s1 ZINC000027521415 539808607 /nfs/dbraw/zinc/80/86/07/539808607.db2.gz UNRPFVJJXYSDRN-UHFFFAOYSA-N 0 0 370.350 2.017 50 5 FEBARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000004905119 219622983 /nfs/dbraw/zinc/62/29/83/219622983.db2.gz XUYYKARPIVQOEA-UHFFFAOYSA-N 0 0 369.786 2.456 50 5 FEBARN CN(C[C@@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1)C(=O)OC(C)(C)C ZINC000058172553 540831213 /nfs/dbraw/zinc/83/12/13/540831213.db2.gz JYOMQGXQJKICMV-LBPRGKRZSA-N 0 0 353.423 2.412 50 5 FEBARN CC1(C)C([N+](=O)[O-])[C@H](c2ccccn2)N[C@@H](c2ccccn2)C1[N+](=O)[O-] ZINC000013514627 220070420 /nfs/dbraw/zinc/07/04/20/220070420.db2.gz PDCGKLLRCGMRSP-YHUYYLMFSA-N 0 0 357.370 2.179 50 5 FEBARN CC(=O)c1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2C)n(C)c1 ZINC000016540344 220186904 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CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3c2cc([N+](=O)[O-])cc3C)N2CCC[C@@H]12 ZINC000015023093 211115671 /nfs/dbraw/zinc/11/56/71/211115671.db2.gz NYPNDGMZDCMCRO-UVBSCNOISA-N 0 0 359.382 2.098 50 5 FEBARN CCc1ccc(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000015240668 211125210 /nfs/dbraw/zinc/12/52/10/211125210.db2.gz XALDUXFFGOVSBJ-ZDUSSCGKSA-N 0 0 370.361 2.193 50 5 FEBARN NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCCOc1ccccc1 ZINC000009220964 210821824 /nfs/dbraw/zinc/82/18/24/210821824.db2.gz LCFKBLXZMGQPDK-UHFFFAOYSA-N 0 0 351.384 2.123 50 5 FEBARN NC(=O)c1ccc(CN2C(=O)NC3(CCCCCCC3)C2=O)c([N+](=O)[O-])c1 ZINC000008727957 210799954 /nfs/dbraw/zinc/79/99/54/210799954.db2.gz UJYVROSDMRNHOW-UHFFFAOYSA-N 0 0 374.397 2.229 50 5 FEBARN O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000005050386 210595407 /nfs/dbraw/zinc/59/54/07/210595407.db2.gz DLAFJJAYHSMLJE-HZPDHXFCSA-N 0 0 373.390 2.207 50 5 FEBARN COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 ZINC000001456562 210355098 /nfs/dbraw/zinc/35/50/98/210355098.db2.gz YJJBBEODOJGPRF-UHFFFAOYSA-N 0 0 358.350 2.270 50 5 FEBARN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000001162054 210327568 /nfs/dbraw/zinc/32/75/68/210327568.db2.gz YLIUPMAYVGQWAQ-UHFFFAOYSA-N 0 0 361.379 2.305 50 5 FEBARN CNC(=O)c1ccsc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009722665 210335171 /nfs/dbraw/zinc/33/51/71/210335171.db2.gz OCRRYCCSPDHFFT-UHFFFAOYSA-N 0 0 350.312 2.176 50 5 FEBARN COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000001053026 210310003 /nfs/dbraw/zinc/31/00/03/210310003.db2.gz ZQWQYZAASRENRV-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1ccco1 ZINC000001070777 210313688 /nfs/dbraw/zinc/31/36/88/210313688.db2.gz ZALYCIUORLZMBL-MRVPVSSYSA-N 0 0 357.164 2.333 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1cccnc1 ZINC000001069668 210312590 /nfs/dbraw/zinc/31/25/90/210312590.db2.gz XARPXQHLXBDUIB-SECBINFHSA-N 0 0 368.191 2.135 50 5 FEBARN COC(=O)C1=CNC=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001067215 210311993 /nfs/dbraw/zinc/31/19/93/210311993.db2.gz SMJXTSSZQLSHBL-UHFFFAOYSA-N 0 0 352.730 2.049 50 5 FEBARN COc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000000869527 210283903 /nfs/dbraw/zinc/28/39/03/210283903.db2.gz OFZQFKSYLRCFCJ-UHFFFAOYSA-N 0 0 366.395 2.133 50 5 FEBARN COc1ccccc1Nc1nc(N2C[C@@H](C)O[C@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000005032332 132826030 /nfs/dbraw/zinc/82/60/30/132826030.db2.gz BTKBHYUHSTZIPQ-GHMZBOCLSA-N 0 0 374.401 2.333 50 5 FEBARN COc1cccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 ZINC000008194564 132843266 /nfs/dbraw/zinc/84/32/66/132843266.db2.gz LWZPTPFCZNCGBD-UHFFFAOYSA-N 0 0 371.393 2.370 50 5 FEBARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000032915401 136117454 /nfs/dbraw/zinc/11/74/54/136117454.db2.gz NGZXOZGUWSMHCS-UHFFFAOYSA-N 0 0 374.784 2.437 50 5 FEBARN Cc1ccc(-n2cc(C(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)nn2)cc1 ZINC000095464915 542971926 /nfs/dbraw/zinc/97/19/26/542971926.db2.gz WUTQJYDLCWCPHE-UHFFFAOYSA-N 0 0 364.365 2.077 50 5 FEBARN CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000097105675 222159376 /nfs/dbraw/zinc/15/93/76/222159376.db2.gz ZYBHDGCSADWOQW-MRXNPFEDSA-N 0 0 357.366 2.202 50 5 FEBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccc(F)cc1 ZINC000103613801 222339459 /nfs/dbraw/zinc/33/94/59/222339459.db2.gz DLCOVGZXKOQURS-UKRRQHHQSA-N 0 0 355.281 2.026 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)C1 ZINC000245225714 525387923 /nfs/dbraw/zinc/38/79/23/525387923.db2.gz HCQZAMQVZJLDJY-RNJOBUHISA-N 0 0 364.450 2.063 50 5 FEBARN CC1(C)OC2=C(C(=O)O1)[C@@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)O2 ZINC000004185816 534987326 /nfs/dbraw/zinc/98/73/26/534987326.db2.gz PMEGKRFOHMXKDT-CQSZACIVSA-N 0 0 362.338 2.024 50 5 FEBARN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 ZINC000225473497 548735499 /nfs/dbraw/zinc/73/54/99/548735499.db2.gz AXIFJVTUYQAZOY-GFCCVEGCSA-N 0 0 351.378 2.421 50 5 FEBARN O=C(c1ccc2c(c1)OCCO2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000225608146 548739041 /nfs/dbraw/zinc/73/90/41/548739041.db2.gz LEAXBRBZLIGLEV-UHFFFAOYSA-N 0 0 358.354 2.040 50 5 FEBARN CCOC(=O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2-n2ccnc2)C1 ZINC000252499034 549669598 /nfs/dbraw/zinc/66/95/98/549669598.db2.gz RUCAVBKUQJGLTH-ZDUSSCGKSA-N 0 0 372.381 2.196 50 5 FEBARN COC(=O)C[C@@H](c1cccc([N+](=O)[O-])c1)c1c(=O)nc2ccccn2c1[O-] ZINC000205968659 570550370 /nfs/dbraw/zinc/55/03/70/570550370.db2.gz SLYRZFDOEWJXEH-ZDUSSCGKSA-N 0 0 369.333 2.003 50 5 FEBARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000103490944 570851135 /nfs/dbraw/zinc/85/11/35/570851135.db2.gz QKAFZSLBGUKLRE-HZSPNIEDSA-N 0 0 364.398 2.458 50 5 FEBARN Cc1cc(C)n(Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)n1 ZINC000002748036 539351681 /nfs/dbraw/zinc/35/16/81/539351681.db2.gz YTXKQXWFZKVYGW-UHFFFAOYSA-N 0 0 354.370 2.292 50 5 FEBARN CCOCCc1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000002875767 539356123 /nfs/dbraw/zinc/35/61/23/539356123.db2.gz ADJRQRHZRVIOFY-UHFFFAOYSA-N 0 0 352.372 2.286 50 5 FEBARN O=C(NCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003131876 539359615 /nfs/dbraw/zinc/35/96/15/539359615.db2.gz UFLWLEFNZUTMQE-UHFFFAOYSA-N 0 0 359.294 2.090 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000003491433 539367785 /nfs/dbraw/zinc/36/77/85/539367785.db2.gz DPWLGSNDYWQYQZ-UHFFFAOYSA-N 0 0 368.349 2.260 50 5 FEBARN COc1ccc(NC(=O)CSc2n[nH]c(C)c2[N+](=O)[O-])c(OC)c1 ZINC000003909533 539374060 /nfs/dbraw/zinc/37/40/60/539374060.db2.gz NIXONYSZMKJQPX-UHFFFAOYSA-N 0 0 352.372 2.374 50 5 FEBARN COc1ccc(-n2c(C)nn(Cc3ccc([N+](=O)[O-])cc3)c2=O)c(OC)c1 ZINC000004089201 539376166 /nfs/dbraw/zinc/37/61/66/539376166.db2.gz NGSRXFFBNQNIDQ-UHFFFAOYSA-N 0 0 370.365 2.316 50 5 FEBARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004317489 539381738 /nfs/dbraw/zinc/38/17/38/539381738.db2.gz VODKZDFSVOIBNA-UHFFFAOYSA-N 0 0 358.741 2.415 50 5 FEBARN CN(CCO)c1cc(N2CCc3ccccc3C2)c2nonc2c1[N+](=O)[O-] ZINC000004716620 539391575 /nfs/dbraw/zinc/39/15/75/539391575.db2.gz MZWKALNSFZGZNV-UHFFFAOYSA-N 0 0 369.381 2.122 50 5 FEBARN Nc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000004882730 539394682 /nfs/dbraw/zinc/39/46/82/539394682.db2.gz DTYHQDJVSGQXCQ-UHFFFAOYSA-N 0 0 363.757 2.304 50 5 FEBARN COc1ccc(CNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 ZINC000004902957 539395655 /nfs/dbraw/zinc/39/56/55/539395655.db2.gz NFCWJAJZPKTBPT-UHFFFAOYSA-N 0 0 371.393 2.370 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C ZINC000005194247 539404527 /nfs/dbraw/zinc/40/45/27/539404527.db2.gz IKQSZPDTRCJRDD-SNVBAGLBSA-N 0 0 363.326 2.392 50 5 FEBARN Cc1nc2ccccc2c(=O)n1NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000005205920 539405212 /nfs/dbraw/zinc/40/52/12/539405212.db2.gz OSTKUMFGMGUPEI-MDZDMXLPSA-N 0 0 350.334 2.397 50 5 FEBARN COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000005673445 539415094 /nfs/dbraw/zinc/41/50/94/539415094.db2.gz XDIUQFUNSGLORF-GFCCVEGCSA-N 0 0 358.350 2.465 50 5 FEBARN COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000006533628 539429756 /nfs/dbraw/zinc/42/97/56/539429756.db2.gz GYYXCMDKODTZHO-JTQLQIEISA-N 0 0 359.338 2.370 50 5 FEBARN Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000006865245 539439940 /nfs/dbraw/zinc/43/99/40/539439940.db2.gz UZIMUBPEFCTXET-UHFFFAOYSA-N 0 0 373.365 2.103 50 5 FEBARN Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCc2cc(Br)ccc21 ZINC000007344497 539456215 /nfs/dbraw/zinc/45/62/15/539456215.db2.gz JZCMFAHKNABLBZ-UHFFFAOYSA-N 0 0 365.187 2.452 50 5 FEBARN CCOc1cc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])c(OCC)cc1C ZINC000007425123 539458052 /nfs/dbraw/zinc/45/80/52/539458052.db2.gz IUVCGALSSYOVJZ-UHFFFAOYSA-N 0 0 369.399 2.443 50 5 FEBARN C[C@H]1Cc2ccccc2N1C(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000007976926 539472983 /nfs/dbraw/zinc/47/29/83/539472983.db2.gz ZGCVCERBUAUVOL-ZDUSSCGKSA-N 0 0 370.409 2.389 50 5 FEBARN Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1[N+](=O)[O-] ZINC000010718720 539520385 /nfs/dbraw/zinc/52/03/85/539520385.db2.gz OPTZSMCMOKWPAL-UHFFFAOYSA-N 0 0 356.382 2.065 50 5 FEBARN c1nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn2n1)CCC5 ZINC000020051690 539672370 /nfs/dbraw/zinc/67/23/70/539672370.db2.gz RPPJEBKIFGIMPG-UHFFFAOYSA-N 0 0 352.423 2.213 50 5 FEBARN O=C(NOCc1ccccc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000025285109 539753761 /nfs/dbraw/zinc/75/37/61/539753761.db2.gz HKDYIGLOXZFOFX-UHFFFAOYSA-N 0 0 357.366 2.293 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC000029321861 539850903 /nfs/dbraw/zinc/85/09/03/539850903.db2.gz QKKAHEWIBHTJBL-UHFFFAOYSA-N 0 0 350.356 2.195 50 5 FEBARN C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029674995 539860560 /nfs/dbraw/zinc/86/05/60/539860560.db2.gz CYIXCNAKVNYTJI-INIZCTEOSA-N 0 0 360.458 2.113 50 5 FEBARN CS(=O)(=O)Nc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1 ZINC000029891098 539867703 /nfs/dbraw/zinc/86/77/03/539867703.db2.gz TXEAKGBOGVHQCR-UHFFFAOYSA-N 0 0 361.379 2.169 50 5 FEBARN O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCc2ccccc21 ZINC000030909921 539893481 /nfs/dbraw/zinc/89/34/81/539893481.db2.gz HZEUIKPOKBPGCJ-UHFFFAOYSA-N 0 0 366.421 2.306 50 5 FEBARN O=C(NC[C@H](O)c1ccc(F)cc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031414464 539907967 /nfs/dbraw/zinc/90/79/67/539907967.db2.gz GHSIUNWEBHAGJC-KRWDZBQOSA-N 0 0 370.340 2.383 50 5 FEBARN Cc1c(C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000032810447 539953847 /nfs/dbraw/zinc/95/38/47/539953847.db2.gz XHOSVKKEULDHKA-KRWDZBQOSA-N 0 0 369.377 2.399 50 5 FEBARN CCOC(=O)c1cc2n(n1)CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C2 ZINC000036472938 539990315 /nfs/dbraw/zinc/99/03/15/539990315.db2.gz IIRGEIKLCGECFA-UHFFFAOYSA-N 0 0 374.353 2.120 50 5 FEBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCC(C)(C)N1CCOCC1 ZINC000040068732 540004937 /nfs/dbraw/zinc/00/49/37/540004937.db2.gz DRKWPXLUPIUQIH-AWEZNQCLSA-N 0 0 364.446 2.408 50 5 FEBARN Cn1c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)nc2ccccc21 ZINC000044213615 540120389 /nfs/dbraw/zinc/12/03/89/540120389.db2.gz GEXPNDMZERVWTQ-UHFFFAOYSA-N 0 0 369.381 2.033 50 5 FEBARN Cc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(=O)n2c1 ZINC000004503625 219581239 /nfs/dbraw/zinc/58/12/39/219581239.db2.gz NCVOLVMVXQYAKO-UHFFFAOYSA-N 0 0 371.378 2.037 50 5 FEBARN Cc1nn(CC(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000058394131 212007957 /nfs/dbraw/zinc/00/79/57/212007957.db2.gz ABAWKJUQEHUAHO-BLLLJJGKSA-N 0 0 358.398 2.397 50 5 FEBARN CCS(=O)(=O)c1ccccc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000032817448 211564826 /nfs/dbraw/zinc/56/48/26/211564826.db2.gz WGZYLUDPRPAHGJ-UHFFFAOYSA-N 0 0 364.379 2.406 50 5 FEBARN O=[N+]([O-])c1cnc2ccc(Br)cc2c1NCCOCCO ZINC000032803847 211563601 /nfs/dbraw/zinc/56/36/01/211563601.db2.gz ASIWHNJLKOGCFM-UHFFFAOYSA-N 0 0 356.176 2.326 50 5 FEBARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000025326327 211427641 /nfs/dbraw/zinc/42/76/41/211427641.db2.gz WFNWPBIROSMKGV-NSHDSACASA-N 0 0 351.384 2.053 50 5 FEBARN Cc1cc(C(=O)N(C)Cc2cccc([N+](=O)[O-])c2)ccc1-n1cnnn1 ZINC000025256827 211425612 /nfs/dbraw/zinc/42/56/12/211425612.db2.gz CXTOVMSCTKXIBU-UHFFFAOYSA-N 0 0 352.354 2.151 50 5 FEBARN O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCC(=O)N2 ZINC000024083788 211401436 /nfs/dbraw/zinc/40/14/36/211401436.db2.gz GMEOPQNELDYEBB-UHFFFAOYSA-N 0 0 354.366 2.321 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2sccc2c1=O ZINC000012752123 210985855 /nfs/dbraw/zinc/98/58/55/210985855.db2.gz QBZJJKGEUONONG-UHFFFAOYSA-N 0 0 374.378 2.404 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000005326947 210614002 /nfs/dbraw/zinc/61/40/02/210614002.db2.gz RTONRXBYLKMFJI-UHFFFAOYSA-N 0 0 368.353 2.204 50 5 FEBARN C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)C1 ZINC000004708609 210554925 /nfs/dbraw/zinc/55/49/25/210554925.db2.gz VUGXWIZFMQXSRP-CYBMUJFWSA-N 0 0 357.435 2.268 50 5 FEBARN Cc1cc(C)n2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2n1 ZINC000004523884 210538208 /nfs/dbraw/zinc/53/82/08/210538208.db2.gz BOVCVAIGCSYDQY-UHFFFAOYSA-N 0 0 358.383 2.380 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC(C2CC2)=C[C@]1(O)C(F)(F)F ZINC000004178868 210514576 /nfs/dbraw/zinc/51/45/76/210514576.db2.gz HEYGJZZOLIXJPR-AWEZNQCLSA-N 0 0 357.288 2.387 50 5 FEBARN COC(=O)c1c2c(sc1NC(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1)CCC2 ZINC000001421991 210351031 /nfs/dbraw/zinc/35/10/31/210351031.db2.gz UPUDBOFNQAVGIS-MRVPVSSYSA-N 0 0 364.383 2.328 50 5 FEBARN COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000001162271 210327317 /nfs/dbraw/zinc/32/73/17/210327317.db2.gz BDRNJAWSRNNZCJ-GOSISDBHSA-N 0 0 356.334 2.040 50 5 FEBARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001150078 210326640 /nfs/dbraw/zinc/32/66/40/210326640.db2.gz HGHVIUPTEOWCMS-UHFFFAOYSA-N 0 0 363.395 2.162 50 5 FEBARN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001140841 210324820 /nfs/dbraw/zinc/32/48/20/210324820.db2.gz LLHGTYPJDWZCCT-UHFFFAOYSA-N 0 0 355.350 2.320 50 5 FEBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000001053029 210310066 /nfs/dbraw/zinc/31/00/66/210310066.db2.gz OSXSPFUOLWHBTH-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001139091 210322717 /nfs/dbraw/zinc/32/27/17/210322717.db2.gz YVEQLKLOWIWGKA-UHFFFAOYSA-N 0 0 355.350 2.320 50 5 FEBARN CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001131469 210322254 /nfs/dbraw/zinc/32/22/54/210322254.db2.gz GALNPYQBFCGPCD-UHFFFAOYSA-N 0 0 371.349 2.026 50 5 FEBARN CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000001124653 210321766 /nfs/dbraw/zinc/32/17/66/210321766.db2.gz FPAMRINXTROZRX-UHFFFAOYSA-N 0 0 367.317 2.032 50 5 FEBARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001119483 210319839 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O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000229773515 210179815 /nfs/dbraw/zinc/17/98/15/210179815.db2.gz APXGCCZLDRRAEJ-JHJVBQTASA-N 0 0 355.188 2.014 50 5 FEBARN COC(=O)Cn1c2ccccc2nc(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000004117946 539377373 /nfs/dbraw/zinc/37/73/73/539377373.db2.gz KRVGFLRFQJFNFA-UHFFFAOYSA-N 0 0 353.334 2.069 50 5 FEBARN COC(=O)CCCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003664218 539373598 /nfs/dbraw/zinc/37/35/98/539373598.db2.gz IYLWVNNBIILYSW-UHFFFAOYSA-N 0 0 358.416 2.387 50 5 FEBARN Cc1cc(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248379 539379806 /nfs/dbraw/zinc/37/98/06/539379806.db2.gz YRNLODGVJNJCBR-UHFFFAOYSA-N 0 0 353.674 2.372 50 5 FEBARN O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004810656 539392810 /nfs/dbraw/zinc/39/28/10/539392810.db2.gz NTTPXMOZNOCTAM-UHFFFAOYSA-N 0 0 374.357 2.440 50 5 FEBARN CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000004889867 539394910 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CCC(=O)c1ccc(OCC(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000007842774 539468624 /nfs/dbraw/zinc/46/86/24/539468624.db2.gz HWXBBDDAHORKRI-GOSISDBHSA-N 0 0 372.377 2.416 50 5 FEBARN Cc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1F ZINC000007976969 539472886 /nfs/dbraw/zinc/47/28/86/539472886.db2.gz KURCEVMKNIEDBS-UHFFFAOYSA-N 0 0 362.361 2.497 50 5 FEBARN CCn1nnc2cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])ccc21 ZINC000008146317 539478416 /nfs/dbraw/zinc/47/84/16/539478416.db2.gz KRLVMBYMSWCQOV-UHFFFAOYSA-N 0 0 354.370 2.201 50 5 FEBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000008225258 539480874 /nfs/dbraw/zinc/48/08/74/539480874.db2.gz HIWFRPFFEFHNTM-NSHDSACASA-N 0 0 364.379 2.406 50 5 FEBARN CN(Cc1cnn(-c2ccccc2)c1)C(=O)COc1cccnc1[N+](=O)[O-] ZINC000009119101 539497787 /nfs/dbraw/zinc/49/77/87/539497787.db2.gz VSYLOMPOJWLRAU-UHFFFAOYSA-N 0 0 367.365 2.213 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccccc2)N1 ZINC000009192421 539498740 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CCOC(=O)C1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000029498731 539855040 /nfs/dbraw/zinc/85/50/40/539855040.db2.gz BPHFISNEAJSPMQ-UHFFFAOYSA-N 0 0 359.386 2.086 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2nccs2)CC1 ZINC000029656349 539859840 /nfs/dbraw/zinc/85/98/40/539859840.db2.gz HPFNDWLAQYQOBN-UHFFFAOYSA-N 0 0 361.427 2.120 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2nnc3ccccn32)c1 ZINC000031478748 539908574 /nfs/dbraw/zinc/90/85/74/539908574.db2.gz ACSNVRNXDYWWJE-UHFFFAOYSA-N 0 0 355.354 2.031 50 5 FEBARN COC(=O)c1cc(C(=O)OCc2nccn2C(F)F)cc([N+](=O)[O-])c1 ZINC000032853941 539956076 /nfs/dbraw/zinc/95/60/76/539956076.db2.gz UIBXMZXCOFJFIA-UHFFFAOYSA-N 0 0 355.253 2.330 50 5 FEBARN CCC(CC)N(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000040105135 540006278 /nfs/dbraw/zinc/00/62/78/540006278.db2.gz PSACOCUEUJMLDF-UHFFFAOYSA-N 0 0 359.382 2.370 50 5 FEBARN O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1CC1(O)CCCCC1 ZINC000040158425 540008779 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368.349 2.179 50 5 FEBARN COc1ccc(OC)c2c1CN(c1nc3ccccn3c1[N+](=O)[O-])C[C@H]2O ZINC000021674384 211320925 /nfs/dbraw/zinc/32/09/25/211320925.db2.gz WLHCZRZZWDNOCS-GFCCVEGCSA-N 0 0 370.365 2.313 50 5 FEBARN Cc1cc(C)n2nc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2n1 ZINC000020418902 211278516 /nfs/dbraw/zinc/27/85/16/211278516.db2.gz IHJVSCSTODHRGZ-UHFFFAOYSA-N 0 0 360.761 2.233 50 5 FEBARN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000018941113 211200249 /nfs/dbraw/zinc/20/02/49/211200249.db2.gz JEBHTEWAVQDDAU-LLVKDONJSA-N 0 0 364.379 2.406 50 5 FEBARN CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000016482956 211160688 /nfs/dbraw/zinc/16/06/88/211160688.db2.gz MIADWOSPLXMZFN-LLVKDONJSA-N 0 0 369.805 2.462 50 5 FEBARN CCOC(=O)[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016695257 211165819 /nfs/dbraw/zinc/16/58/19/211165819.db2.gz TUMSHZROBYSAOA-HNNXBMFYSA-N 0 0 350.371 2.379 50 5 FEBARN Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000015240655 211125718 /nfs/dbraw/zinc/12/57/18/211125718.db2.gz ZJGPUQCCLSMDBN-ZDUSSCGKSA-N 0 0 370.361 2.248 50 5 FEBARN CC(=O)c1ccccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000015125663 211124132 /nfs/dbraw/zinc/12/41/32/211124132.db2.gz PTOSQJPLRBYZQF-UHFFFAOYSA-N 0 0 372.381 2.252 50 5 FEBARN C[C@@H]1CN(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013136436 211026075 /nfs/dbraw/zinc/02/60/75/211026075.db2.gz JUGMRPAATCXWQP-AOOOYVTPSA-N 0 0 356.762 2.041 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1F ZINC000010030039 210862567 /nfs/dbraw/zinc/86/25/67/210862567.db2.gz SSBLQLDSHNFDBO-UHFFFAOYSA-N 0 0 354.359 2.400 50 5 FEBARN O=C(c1cccs1)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000008374651 210783483 /nfs/dbraw/zinc/78/34/83/210783483.db2.gz PFQQCDUEGAEGOU-UHFFFAOYSA-N 0 0 363.424 2.328 50 5 FEBARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002101767 210380079 /nfs/dbraw/zinc/38/00/79/210380079.db2.gz RLGHZYYWDCELHZ-UHFFFAOYSA-N 0 0 363.351 2.103 50 5 FEBARN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000001145747 210324553 /nfs/dbraw/zinc/32/45/53/210324553.db2.gz URWNCMQLOBDVND-UHFFFAOYSA-N 0 0 369.786 2.165 50 5 FEBARN COc1cc(NC(=O)Cn2c(C)ncc2[N+](=O)[O-])c(OC)cc1Cl ZINC000001135257 210323709 /nfs/dbraw/zinc/32/37/09/210323709.db2.gz AEPXQEUDOYILBH-UHFFFAOYSA-N 0 0 354.750 2.409 50 5 FEBARN Cc1cc(OCC(=O)N2CCOCC2)cc2oc(=O)c3ccccc3c12 ZINC000001128618 210321053 /nfs/dbraw/zinc/32/10/53/210321053.db2.gz ZFVOXRCCHUXZAM-UHFFFAOYSA-N 0 0 353.374 2.492 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NCc1cccnc1 ZINC000001069666 210312854 /nfs/dbraw/zinc/31/28/54/210312854.db2.gz XARPXQHLXBDUIB-VIFPVBQESA-N 0 0 368.191 2.135 50 5 FEBARN COC(=O)COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000001064127 210312019 /nfs/dbraw/zinc/31/20/19/210312019.db2.gz IXQKGFOWWWVJQQ-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000000860036 210282609 /nfs/dbraw/zinc/28/26/09/210282609.db2.gz GTOQKGLNEXWAHP-UHFFFAOYSA-N 0 0 355.350 2.320 50 5 FEBARN COc1ccc(OCc2noc(CNC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000049027406 221016713 /nfs/dbraw/zinc/01/67/13/221016713.db2.gz RIDKNRLWZMZAPF-UHFFFAOYSA-N 0 0 374.309 2.088 50 5 FEBARN O=C(CSc1ncccc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 ZINC000067648812 221265381 /nfs/dbraw/zinc/26/53/81/221265381.db2.gz VFEYEDLMDYGPDS-LLVKDONJSA-N 0 0 361.379 2.038 50 5 FEBARN Cc1cc(C)n(C[C@H](C)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)n1 ZINC000069459949 221325271 /nfs/dbraw/zinc/32/52/71/221325271.db2.gz QCWFLKGWNDJALA-ZDUSSCGKSA-N 0 0 370.413 2.353 50 5 FEBARN CNC(=O)c1ccc(NC(=O)CN2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000071795907 221377016 /nfs/dbraw/zinc/37/70/16/221377016.db2.gz ZLKOTXDQRPVBEW-GFCCVEGCSA-N 0 0 368.393 2.344 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCOCC1 ZINC000001117330 132380168 /nfs/dbraw/zinc/38/01/68/132380168.db2.gz DNSJELYJOLHZDO-UHFFFAOYSA-N 0 0 357.366 2.449 50 5 FEBARN COc1ccccc1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000004117044 132386484 /nfs/dbraw/zinc/38/64/84/132386484.db2.gz TYCJLJSGBJJPHF-UHFFFAOYSA-N 0 0 355.394 2.495 50 5 FEBARN CC(C)CC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004104342 132386495 /nfs/dbraw/zinc/38/64/95/132386495.db2.gz KGPOQPURUHLPSX-UHFFFAOYSA-N 0 0 350.444 2.164 50 5 FEBARN NC(=O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004306707 132386653 /nfs/dbraw/zinc/38/66/53/132386653.db2.gz BMTHFNSSRWVDKW-UHFFFAOYSA-N 0 0 362.264 2.224 50 5 FEBARN C[C@@H](Cn1cccn1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024807863 132912214 /nfs/dbraw/zinc/91/22/14/132912214.db2.gz JBLSBEIEQFPTCM-AWEZNQCLSA-N 0 0 357.414 2.213 50 5 FEBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000040072625 136119189 /nfs/dbraw/zinc/11/91/89/136119189.db2.gz TYXDWCVWJONLOY-UHFFFAOYSA-N 0 0 366.381 2.349 50 5 FEBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@H]1CC1[N+](=O)[O-] ZINC000047241805 136122782 /nfs/dbraw/zinc/12/27/82/136122782.db2.gz YFWAUEHJNNFANG-GXFFZTMASA-N 0 0 359.304 2.146 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccccc2)CC1 ZINC000055554749 136127215 /nfs/dbraw/zinc/12/72/15/136127215.db2.gz OSQYYCGSIMDWQU-UHFFFAOYSA-N 0 0 370.409 2.364 50 5 FEBARN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1cc(Cl)ccn1 ZINC000095462089 542971757 /nfs/dbraw/zinc/97/17/57/542971757.db2.gz YVPGONXTTBKUGY-UHFFFAOYSA-N 0 0 355.803 2.305 50 5 FEBARN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000095977964 542985113 /nfs/dbraw/zinc/98/51/13/542985113.db2.gz AEJBMSUMWCGXOZ-UHFFFAOYSA-N 0 0 367.768 2.068 50 5 FEBARN CCn1nc(C(=O)NCCOC)c(C)c1Oc1ccc([N+](=O)[O-])cc1F ZINC000096203729 222075174 /nfs/dbraw/zinc/07/51/74/222075174.db2.gz QIVNLJOYKPCEPF-UHFFFAOYSA-N 0 0 366.349 2.427 50 5 FEBARN Cc1ccc(N2C(=O)[C@@H]3C(c4ccc(F)cc4)=NO[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000101194651 222265247 /nfs/dbraw/zinc/26/52/47/222265247.db2.gz BKCHBGKVJZTYME-ZBFHGGJFSA-N 0 0 369.308 2.335 50 5 FEBARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2)C1=O ZINC000005836085 263343591 /nfs/dbraw/zinc/34/35/91/263343591.db2.gz UOFWWMCMXJBXBA-SFHVURJKSA-N 0 0 368.349 2.001 50 5 FEBARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001218154 539340004 /nfs/dbraw/zinc/34/00/04/539340004.db2.gz PGXGRZYDNFVWND-UHFFFAOYSA-N 0 0 359.725 2.483 50 5 FEBARN Cc1ccc(F)cc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000003460949 539367233 /nfs/dbraw/zinc/36/72/33/539367233.db2.gz BUEAJWVVZBLAHP-UHFFFAOYSA-N 0 0 357.297 2.277 50 5 FEBARN CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCOC)=C1C ZINC000003664255 539373097 /nfs/dbraw/zinc/37/30/97/539373097.db2.gz CKYXBKHTQAEFSM-HNNXBMFYSA-N 0 0 363.370 2.145 50 5 FEBARN COCON1C(=O)CN(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000003663074 539373360 /nfs/dbraw/zinc/37/33/60/539373360.db2.gz KZFGNCVAZCRQRU-QGZVFWFLSA-N 0 0 371.349 2.114 50 5 FEBARN C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)C1 ZINC000004708611 539389946 /nfs/dbraw/zinc/38/99/46/539389946.db2.gz VUGXWIZFMQXSRP-ZDUSSCGKSA-N 0 0 357.435 2.268 50 5 FEBARN COc1ccc2oc(=O)c(C(=O)OCCn3c(C)ncc3[N+](=O)[O-])cc2c1 ZINC000004626102 539389571 /nfs/dbraw/zinc/38/95/71/539389571.db2.gz KMWMXSDHPMIBIL-UHFFFAOYSA-N 0 0 373.321 2.072 50 5 FEBARN O=[N+]([O-])c1ccc2c(c1NCc1ccccc1)[N-]C1(CCCCC1)[N+]2=O ZINC000004752147 539391889 /nfs/dbraw/zinc/39/18/89/539391889.db2.gz IKUJFPFBWMKNKM-UHFFFAOYSA-N 0 0 352.394 2.489 50 5 FEBARN CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1 ZINC000005025870 539400353 /nfs/dbraw/zinc/40/03/53/539400353.db2.gz IUDYUXQYERHXTL-ZDUSSCGKSA-N 0 0 358.402 2.194 50 5 FEBARN COc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000005199098 539405419 /nfs/dbraw/zinc/40/54/19/539405419.db2.gz UQSNNHIUDOTGKC-UHFFFAOYSA-N 0 0 354.322 2.006 50 5 FEBARN O=C(Nc1ccncc1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270779 539407184 /nfs/dbraw/zinc/40/71/84/539407184.db2.gz NCACCWQKIKRJFQ-UHFFFAOYSA-N 0 0 350.334 2.452 50 5 FEBARN COc1ccc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(OC)c1 ZINC000005693702 539415236 /nfs/dbraw/zinc/41/52/36/539415236.db2.gz YBYHDCCYDRNCNY-UHFFFAOYSA-N 0 0 360.322 2.234 50 5 FEBARN Nc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000005657270 539415038 /nfs/dbraw/zinc/41/50/38/539415038.db2.gz FKZPTHRSQXDGHU-UHFFFAOYSA-N 0 0 355.350 2.313 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1ccc(Cl)cc1Cl ZINC000006119865 539422028 /nfs/dbraw/zinc/42/20/28/539422028.db2.gz IBBQVDWFCSFESJ-UHFFFAOYSA-N 0 0 356.165 2.380 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccccc1 ZINC000006460251 539428700 /nfs/dbraw/zinc/42/87/00/539428700.db2.gz NQUINTLBCQUMFA-UHFFFAOYSA-N 0 0 360.322 2.164 50 5 FEBARN COc1cc2c(cc1OC)CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000006621626 539431389 /nfs/dbraw/zinc/43/13/89/539431389.db2.gz KPYQNZFNOVJYDX-UHFFFAOYSA-N 0 0 357.366 2.274 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nnnn1-c1ccc(Cl)cc1 ZINC000009570773 539504654 /nfs/dbraw/zinc/50/46/54/539504654.db2.gz CRACEKVZOIPKQT-UHFFFAOYSA-N 0 0 372.772 2.083 50 5 FEBARN CCOC(=O)c1c(C)oc2nc(Cn3nc(C)c([N+](=O)[O-])c3C)nc(N)c21 ZINC000009580698 539504831 /nfs/dbraw/zinc/50/48/31/539504831.db2.gz AKAZQANAWAKMAJ-UHFFFAOYSA-N 0 0 374.357 2.060 50 5 FEBARN O=C(c1cnccn1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000012793160 539574710 /nfs/dbraw/zinc/57/47/10/539574710.db2.gz MANRQSWVGRGMRV-UHFFFAOYSA-N 0 0 366.337 2.240 50 5 FEBARN C[C@@H]1CN(c2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000013142919 539584116 /nfs/dbraw/zinc/58/41/16/539584116.db2.gz GABLLSFFWJWDSP-TXEJJXNPSA-N 0 0 358.402 2.349 50 5 FEBARN O=C(COC(=O)c1ccc(O)cc1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016743006 539636581 /nfs/dbraw/zinc/63/65/81/539636581.db2.gz WZFAREXSNBNVTQ-UHFFFAOYSA-N 0 0 356.334 2.437 50 5 FEBARN COc1ccc(OC)c(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000024452266 539731957 /nfs/dbraw/zinc/73/19/57/539731957.db2.gz LBMUQVWHJCMAJJ-UHFFFAOYSA-N 0 0 352.368 2.091 50 5 FEBARN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCOc2ccccc21 ZINC000024585935 539734764 /nfs/dbraw/zinc/73/47/64/539734764.db2.gz LMRCLHVLOBCCDI-UHFFFAOYSA-N 0 0 351.322 2.215 50 5 FEBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(NS(C)(=O)=O)c1 ZINC000029829149 539865386 /nfs/dbraw/zinc/86/53/86/539865386.db2.gz AIIVKRXOXCXVKT-UHFFFAOYSA-N 0 0 363.395 2.239 50 5 FEBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1nccn1C(F)F ZINC000030618364 539887725 /nfs/dbraw/zinc/88/77/25/539887725.db2.gz BTYLMQMEMBOWOJ-UHFFFAOYSA-N 0 0 368.296 2.050 50 5 FEBARN CCC[C@](C)(NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)OC ZINC000032788413 539953359 /nfs/dbraw/zinc/95/33/59/539953359.db2.gz GGHUCEMXFFURPA-RTRPANQVSA-N 0 0 364.354 2.185 50 5 FEBARN CCN(CC(C)C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000032923519 539959593 /nfs/dbraw/zinc/95/95/93/539959593.db2.gz OAOMURCFNRNSJC-UHFFFAOYSA-N 0 0 371.459 2.098 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1 ZINC000036056116 539986065 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357.341 2.198 50 5 FEBARN Cc1ccc2ncn(C[C@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c2c1 ZINC000051374205 540431963 /nfs/dbraw/zinc/43/19/63/540431963.db2.gz LPXZAQSSGSIIBQ-AWEZNQCLSA-N 0 0 355.350 2.053 50 5 FEBARN O=C([C@H]1Cc2ccccc2O1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000058099832 540829135 /nfs/dbraw/zinc/82/91/35/540829135.db2.gz IMXSBTGOXVYGID-GOSISDBHSA-N 0 0 353.378 2.247 50 5 FEBARN COc1ccc(C(N)=O)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000012971230 220047796 /nfs/dbraw/zinc/04/77/96/220047796.db2.gz NASWIXQCQPDXCP-UHFFFAOYSA-N 0 0 359.338 2.028 50 5 FEBARN COc1ccc(CNC(=O)Cc2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1 ZINC000032606518 211553746 /nfs/dbraw/zinc/55/37/46/211553746.db2.gz KFMMXQCXZNKQBS-UHFFFAOYSA-N 0 0 367.365 2.247 50 5 FEBARN CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000022205542 211340474 /nfs/dbraw/zinc/34/04/74/211340474.db2.gz UKFLLPJSHMHQTR-UHFFFAOYSA-N 0 0 366.355 2.320 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN2CCOCC2)cc1 ZINC000019312590 211213337 /nfs/dbraw/zinc/21/33/37/211213337.db2.gz QVZDVWXUYVGCBH-UHFFFAOYSA-N 0 0 371.393 2.445 50 5 FEBARN O=C1C[C@@H](N2CCc3ccccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000018106002 211191238 /nfs/dbraw/zinc/19/12/38/211191238.db2.gz JMVOUXPVDVVIIO-QGZVFWFLSA-N 0 0 351.362 2.285 50 5 FEBARN CCOC(=O)c1sc2ncn3nc(-c4n[nH]cc4[N+](=O)[O-])nc3c2c1C ZINC000017076410 211178880 /nfs/dbraw/zinc/17/88/80/211178880.db2.gz SKTCUWDJILPVFK-UHFFFAOYSA-N 0 0 373.354 2.122 50 5 FEBARN NC(=O)C1(CNC(=O)c2cc3ccccc3c3cccnc23)CCOCC1 ZINC000076967723 542336571 /nfs/dbraw/zinc/33/65/71/542336571.db2.gz NFNPXUBTYXMTFB-UHFFFAOYSA-N 0 0 363.417 2.400 50 5 FEBARN Cc1csc2nc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cn12 ZINC000004248560 210518714 /nfs/dbraw/zinc/51/87/14/210518714.db2.gz ABOCVYHEVIZOAA-UHFFFAOYSA-N 0 0 366.424 2.133 50 5 FEBARN C[C@H]1CN(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000003332714 210467014 /nfs/dbraw/zinc/46/70/14/210467014.db2.gz JUGMRPAATCXWQP-UWVGGRQHSA-N 0 0 356.762 2.041 50 5 FEBARN CCc1c(C)sc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1C(N)=O ZINC000002084220 210378625 /nfs/dbraw/zinc/37/86/25/210378625.db2.gz UXJAYJISQIRZLU-UHFFFAOYSA-N 0 0 365.415 2.078 50 5 FEBARN CCCNC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000001887429 210373151 /nfs/dbraw/zinc/37/31/51/210373151.db2.gz DLWWQNCETLSUFD-UHFFFAOYSA-N 0 0 366.377 2.498 50 5 FEBARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1ccc([N+](=O)[O-])cc1 ZINC000010216417 210345122 /nfs/dbraw/zinc/34/51/22/210345122.db2.gz QMRULGXXRHPDQT-UHFFFAOYSA-N 0 0 372.406 2.141 50 5 FEBARN O=c1/c(=C/c2ccccc2F)sc2nc(-c3cccc([N+](=O)[O-])c3)nn12 ZINC000001148750 210325953 /nfs/dbraw/zinc/32/59/53/210325953.db2.gz WRDQIWOWDPPKKZ-ZROIWOOFSA-N 0 0 368.349 2.413 50 5 FEBARN COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)OC)cc([N+](=O)[O-])c1 ZINC000001206489 210334817 /nfs/dbraw/zinc/33/48/17/210334817.db2.gz XXJKWHBMHXGOEE-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000844421 210278528 /nfs/dbraw/zinc/27/85/28/210278528.db2.gz UQEBYDDLNFUSJZ-NSHDSACASA-N 0 0 359.260 2.328 50 5 FEBARN Cn1c2c(cn3c2c(-c2cccnc2)nc2ccccc23)c(=O)n(C)c1=O ZINC000000804800 210272139 /nfs/dbraw/zinc/27/21/39/210272139.db2.gz QXAMVNYUDVNDMM-UHFFFAOYSA-N 0 0 357.373 2.100 50 5 FEBARN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C ZINC000055299944 221065807 /nfs/dbraw/zinc/06/58/07/221065807.db2.gz YUIRGTRUAQQEOB-UHFFFAOYSA-N 0 0 352.416 2.236 50 5 FEBARN COc1ccc2c(c1)CCN2C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000083927586 542705420 /nfs/dbraw/zinc/70/54/20/542705420.db2.gz CFDIFFWATLRUCS-GFCCVEGCSA-N 0 0 369.377 2.311 50 5 FEBARN O=C(c1ccccc1)c1ccc(N2CCOC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000095446152 132211058 /nfs/dbraw/zinc/21/10/58/132211058.db2.gz LCGFCLHNXRCMMA-MRXNPFEDSA-N 0 0 356.378 2.413 50 5 FEBARN O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCC[C@H](CO)C3)ncn1)CC2 ZINC000154133697 132260672 /nfs/dbraw/zinc/26/06/72/132260672.db2.gz CVKVFALFUHDXFK-AWEZNQCLSA-N 0 0 369.425 2.156 50 5 FEBARN CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=O ZINC000004037168 132386260 /nfs/dbraw/zinc/38/62/60/132386260.db2.gz DODVQIAPPKTATQ-APWZRJJASA-N 0 0 372.425 2.410 50 5 FEBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)C[C@H](C)O1 ZINC000005177462 132827305 /nfs/dbraw/zinc/82/73/05/132827305.db2.gz OXJHGIMIGYOBKP-RYUDHWBXSA-N 0 0 358.402 2.193 50 5 FEBARN CNC(=O)[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)c2ccccc2O1 ZINC000058370979 136131677 /nfs/dbraw/zinc/13/16/77/136131677.db2.gz KGQUBDXFSSCELP-KRWDZBQOSA-N 0 0 357.366 2.117 50 5 FEBARN Cc1cccc(N2CCN(C(=O)COc3cccnc3[N+](=O)[O-])CC2)c1C ZINC000007550739 136151896 /nfs/dbraw/zinc/15/18/96/136151896.db2.gz NQRULKOGHIIXNG-UHFFFAOYSA-N 0 0 370.409 2.334 50 5 FEBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cccc(F)c1 ZINC000103625905 543115560 /nfs/dbraw/zinc/11/55/60/543115560.db2.gz GTTIINNVRULUMN-UKRRQHHQSA-N 0 0 355.281 2.026 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1=O ZINC000101343105 222270730 /nfs/dbraw/zinc/27/07/30/222270730.db2.gz DJVBVKDGXSKYIZ-GOEBONIOSA-N 0 0 369.308 2.335 50 5 FEBARN O=C(CN1CCCc2c([N+](=O)[O-])cccc21)NCc1ccc2c(c1)OCO2 ZINC000089800254 526760847 /nfs/dbraw/zinc/76/08/47/526760847.db2.gz KETVNVUCEYYORB-UHFFFAOYSA-N 0 0 369.377 2.393 50 5 FEBARN CC[C@@H]1OCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000277742618 550708736 /nfs/dbraw/zinc/70/87/36/550708736.db2.gz ISDFBBBQGQZCMI-ZFWWWQNUSA-N 0 0 366.414 2.476 50 5 FEBARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(OC)c(OC)c(OC)c1 ZINC000000679965 539332244 /nfs/dbraw/zinc/33/22/44/539332244.db2.gz KVTJTDAPQBKEAJ-UHFFFAOYSA-N 0 0 350.331 2.089 50 5 FEBARN COc1ccc(CNC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000002657395 539350671 /nfs/dbraw/zinc/35/06/71/539350671.db2.gz OCGPLXWIVMPJHU-DHZHZOJOSA-N 0 0 370.361 2.476 50 5 FEBARN COc1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000003324160 539363975 /nfs/dbraw/zinc/36/39/75/539363975.db2.gz VJRSRWRYXNKBOX-UHFFFAOYSA-N 0 0 352.368 2.091 50 5 FEBARN CCN(CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC(=O)NC(C)(C)C ZINC000003445172 539366358 /nfs/dbraw/zinc/36/63/58/539366358.db2.gz NKKRSTMHADZBRO-UHFFFAOYSA-N 0 0 350.419 2.078 50 5 FEBARN COc1cccc(N2C[C@@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000004497104 539385105 /nfs/dbraw/zinc/38/51/05/539385105.db2.gz GQAHDPHAPNBALE-AWEZNQCLSA-N 0 0 369.377 2.447 50 5 FEBARN O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000004555276 539388400 /nfs/dbraw/zinc/38/84/00/539388400.db2.gz VKFGKRYDUCGSFF-AWEZNQCLSA-N 0 0 368.345 2.374 50 5 FEBARN Cc1nn(C)c(NN2C(=O)c3cccc4cccc(c43)C2=O)c1[N+](=O)[O-] ZINC000004737320 539391625 /nfs/dbraw/zinc/39/16/25/539391625.db2.gz HMXGEABBHAWEHB-UHFFFAOYSA-N 0 0 351.322 2.413 50 5 FEBARN CN1C2=C(C(=O)N(Cc3ccco3)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC1=O ZINC000004776479 539392414 /nfs/dbraw/zinc/39/24/14/539392414.db2.gz BHPAXMHFJLGIJS-INIZCTEOSA-N 0 0 368.349 2.180 50 5 FEBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000005027755 539400041 /nfs/dbraw/zinc/40/00/41/539400041.db2.gz BMSDFWXIBZHEMY-OAHLLOKOSA-N 0 0 372.337 2.463 50 5 FEBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cn2ccccc2n1 ZINC000005253755 539406395 /nfs/dbraw/zinc/40/63/95/539406395.db2.gz HCKJDQQCRRDQDD-UHFFFAOYSA-N 0 0 355.306 2.466 50 5 FEBARN Cc1cc(C)n2c(nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000005446038 539411251 /nfs/dbraw/zinc/41/12/51/539411251.db2.gz HKZWCBLRTKCDIR-UHFFFAOYSA-N 0 0 358.383 2.380 50 5 FEBARN COc1cc(CNC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc(OC)c1 ZINC000005921329 539418248 /nfs/dbraw/zinc/41/82/48/539418248.db2.gz MZIJJJYSISCLDS-LBPRGKRZSA-N 0 0 362.386 2.303 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)N1CCC(c2ccccc2)=N1 ZINC000006054482 539421006 /nfs/dbraw/zinc/42/10/06/539421006.db2.gz FODSSOUUELKEJI-UHFFFAOYSA-N 0 0 359.363 2.450 50 5 FEBARN C[C@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007398797 539457160 /nfs/dbraw/zinc/45/71/60/539457160.db2.gz NLCIKNIUKQJASV-LLVKDONJSA-N 0 0 366.370 2.213 50 5 FEBARN CNS(=O)(=O)c1ccc(NCCOc2ccccc2F)c([N+](=O)[O-])c1 ZINC000009157815 539498900 /nfs/dbraw/zinc/49/89/00/539498900.db2.gz IETXJHLRHQVSLE-UHFFFAOYSA-N 0 0 369.374 2.133 50 5 FEBARN C[C@@H]1CN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000017246504 539640800 /nfs/dbraw/zinc/64/08/00/539640800.db2.gz GOKVPBGLAKANAX-AOOOYVTPSA-N 0 0 362.365 2.463 50 5 FEBARN Cc1nc2ncnn2c(C)c1CCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000024238299 539728199 /nfs/dbraw/zinc/72/81/99/539728199.db2.gz FHTFTKYPXYULBZ-UHFFFAOYSA-N 0 0 355.354 2.325 50 5 FEBARN COC(=O)c1ccc(OCc2cc(=O)n3cccc(C)c3n2)c([N+](=O)[O-])c1 ZINC000024938023 539744690 /nfs/dbraw/zinc/74/46/90/539744690.db2.gz RFCDQVPVXXIXJM-UHFFFAOYSA-N 0 0 369.333 2.277 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)Nc3cnn(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000025306376 539754842 /nfs/dbraw/zinc/75/48/42/539754842.db2.gz RYJIESXITSRHKB-UHFFFAOYSA-N 0 0 354.370 2.442 50 5 FEBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3F)nn12 ZINC000026842402 539795032 /nfs/dbraw/zinc/79/50/32/539795032.db2.gz BQBJKDWQAGJOBX-ZROIWOOFSA-N 0 0 368.349 2.413 50 5 FEBARN O=c1cc(CO)oc([C@H](Nc2cccc([N+](=O)[O-])c2)c2ccccn2)c1O ZINC000000937984 219343640 /nfs/dbraw/zinc/34/36/40/219343640.db2.gz NZSJKINXKPRJRY-MRXNPFEDSA-N 0 0 369.333 2.342 50 5 FEBARN COCCOc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000030436770 539881411 /nfs/dbraw/zinc/88/14/11/539881411.db2.gz OGGCMRDACWHHQK-UHFFFAOYSA-N 0 0 366.395 2.099 50 5 FEBARN NC(=O)c1cc([N+](=O)[O-])cn(CCOc2ccc3ccccc3c2)c1=O ZINC000032827069 539955571 /nfs/dbraw/zinc/95/55/71/539955571.db2.gz FJKKZFPWALEYIR-UHFFFAOYSA-N 0 0 353.334 2.088 50 5 FEBARN Cc1cc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)ccc1[N+](=O)[O-] ZINC000040080639 540005434 /nfs/dbraw/zinc/00/54/34/540005434.db2.gz ADXGXSIXZDHKBY-UHFFFAOYSA-N 0 0 368.349 2.207 50 5 FEBARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1csc([N+](=O)[O-])c1 ZINC000040146106 540008276 /nfs/dbraw/zinc/00/82/76/540008276.db2.gz DCZMKXATTFPEIR-MRXNPFEDSA-N 0 0 359.363 2.386 50 5 FEBARN Cc1c(NC(=O)NCc2ccnc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000043347138 540098413 /nfs/dbraw/zinc/09/84/13/540098413.db2.gz IIYXWTQTAMRXFI-UHFFFAOYSA-N 0 0 371.397 2.457 50 5 FEBARN Cc1cc(C(=O)Nc2cccc([C@]3(C)NC(=O)NC3=O)c2)ccc1[N+](=O)[O-] ZINC000047167237 540293214 /nfs/dbraw/zinc/29/32/14/540293214.db2.gz OBMCTEYDTQSCCM-SFHVURJKSA-N 0 0 368.349 2.210 50 5 FEBARN Cc1c([C@@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1C ZINC000052578135 540474419 /nfs/dbraw/zinc/47/44/19/540474419.db2.gz CQTRLRJEMFXGAL-LLVKDONJSA-N 0 0 354.370 2.313 50 5 FEBARN Cc1nn(CC(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000058394130 212007918 /nfs/dbraw/zinc/00/79/18/212007918.db2.gz ABAWKJUQEHUAHO-WBMJQRKESA-N 0 0 358.398 2.397 50 5 FEBARN O=C(c1cc2ccccc2c2cccnc12)N1CCC2(CC1)NC(=O)NC2=O ZINC000058202809 211994940 /nfs/dbraw/zinc/99/49/40/211994940.db2.gz GZAFGIGCPXSABP-UHFFFAOYSA-N 0 0 374.400 2.202 50 5 FEBARN COC(=O)CCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000052957933 211912770 /nfs/dbraw/zinc/91/27/70/211912770.db2.gz QXJXBLYPXWLWLB-LBPRGKRZSA-N 0 0 372.381 2.456 50 5 FEBARN COc1cccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000040156662 211506430 /nfs/dbraw/zinc/50/64/30/211506430.db2.gz WVKLLLJNUSROIE-UHFFFAOYSA-N 0 0 355.148 2.201 50 5 FEBARN Cc1c(NC(=O)Cc2csc(N3CCNC3=O)n2)cccc1[N+](=O)[O-] ZINC000040114914 211490848 /nfs/dbraw/zinc/49/08/48/211490848.db2.gz JPUUCKLQAZJGMK-UHFFFAOYSA-N 0 0 361.383 2.071 50 5 FEBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000023458061 211390353 /nfs/dbraw/zinc/39/03/53/211390353.db2.gz XNDIFAPVCBEOAV-UHFFFAOYSA-N 0 0 364.402 2.329 50 5 FEBARN COC(=O)c1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC ZINC000018061163 211190572 /nfs/dbraw/zinc/19/05/72/211190572.db2.gz NWILMZWGYQTGCS-UHFFFAOYSA-N 0 0 358.350 2.249 50 5 FEBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000012915385 211006464 /nfs/dbraw/zinc/00/64/64/211006464.db2.gz WJKXRADTLWXWRP-CQSZACIVSA-N 0 0 358.398 2.333 50 5 FEBARN COc1ccc(CCn2c(=O)oc3ccc([N+](=O)[O-])cc3c2=O)cc1OC ZINC000012952645 211012527 /nfs/dbraw/zinc/01/25/27/211012527.db2.gz JYQJQJOCZNYZDL-UHFFFAOYSA-N 0 0 372.333 2.123 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000009949533 210859089 /nfs/dbraw/zinc/85/90/89/210859089.db2.gz OATCCDCKCKVGNQ-UHFFFAOYSA-N 0 0 373.365 2.429 50 5 FEBARN O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1CCCO)CCC2 ZINC000010256782 210346708 /nfs/dbraw/zinc/34/67/08/210346708.db2.gz QXYAVFOSYCWMEG-UHFFFAOYSA-N 0 0 361.423 2.315 50 5 FEBARN CCOC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(C(C)(C)C)C1 ZINC000001194937 210333488 /nfs/dbraw/zinc/33/34/88/210333488.db2.gz NVGKDOGFYAEOJF-QGZVFWFLSA-N 0 0 363.370 2.095 50 5 FEBARN CCn1nc(C)c([N+](=O)[O-])c1C(=O)NCC(=O)c1ccc(Cl)cc1 ZINC000001047667 210307535 /nfs/dbraw/zinc/30/75/35/210307535.db2.gz NYGBDVIQYMSVDY-UHFFFAOYSA-N 0 0 350.762 2.386 50 5 FEBARN COC(=O)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000021821146 220368379 /nfs/dbraw/zinc/36/83/79/220368379.db2.gz GXMKIMWUEWVYJK-UHFFFAOYSA-N 0 0 367.335 2.158 50 5 FEBARN CC(C)CC(=O)N1CCC(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 ZINC000048356464 221010151 /nfs/dbraw/zinc/01/01/51/221010151.db2.gz KAIDCGVBJCCLEJ-UHFFFAOYSA-N 0 0 373.413 2.052 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])C1 ZINC000102041132 132252403 /nfs/dbraw/zinc/25/24/03/132252403.db2.gz KNNUDEKFSDVUQK-YVECIDJPSA-N 0 0 364.450 2.063 50 5 FEBARN O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccccc2F)CC1 ZINC000010327283 132382169 /nfs/dbraw/zinc/38/21/69/132382169.db2.gz QMTJCNAUNPXLEN-UHFFFAOYSA-N 0 0 372.356 2.021 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(c2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])C1 ZINC000004306040 132386645 /nfs/dbraw/zinc/38/66/45/132386645.db2.gz DEPNGHYNZRBTHK-UTUOFQBUSA-N 0 0 350.423 2.040 50 5 FEBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccccc1 ZINC000004687389 132823895 /nfs/dbraw/zinc/82/38/95/132823895.db2.gz FFHYQHRQFNYPQQ-AWEZNQCLSA-N 0 0 361.423 2.494 50 5 FEBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)C3=C2O)cc1 ZINC000103625445 543115720 /nfs/dbraw/zinc/11/57/20/543115720.db2.gz FAGLVIMPTPTPBH-HOCLYGCPSA-N 0 0 351.318 2.196 50 5 FEBARN Cc1ccccc1C(=O)NCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089689120 221740813 /nfs/dbraw/zinc/74/08/13/221740813.db2.gz NWXHXHGXYDFXPM-UHFFFAOYSA-N 0 0 353.338 2.148 50 5 FEBARN O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000103560584 222339709 /nfs/dbraw/zinc/33/97/09/222339709.db2.gz DPCWFQHMPAMFFM-UKRRQHHQSA-N 0 0 355.281 2.026 50 5 FEBARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000004059308 263331070 /nfs/dbraw/zinc/33/10/70/263331070.db2.gz HEKQITKTDGJNCZ-OAHLLOKOSA-N 0 0 369.406 2.421 50 5 FEBARN Cc1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000007465898 263351094 /nfs/dbraw/zinc/35/10/94/263351094.db2.gz ZPOLRUDEBVUOOG-ZDUSSCGKSA-N 0 0 358.350 2.238 50 5 FEBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000247815825 523805665 /nfs/dbraw/zinc/80/56/65/523805665.db2.gz GCFVPEYBEXLNLH-BZPMIXESSA-N 0 0 368.411 2.090 50 5 FEBARN C[C@@H](Nc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1[N+](=O)[O-])c1ccccn1 ZINC000170592834 546162406 /nfs/dbraw/zinc/16/24/06/546162406.db2.gz MJMBOMLYLCTACM-VXGBXAGGSA-N 0 0 371.397 2.109 50 5 FEBARN O=C(NCC(F)(F)F)[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000225422821 548733561 /nfs/dbraw/zinc/73/35/61/548733561.db2.gz FVVVGDQIPHGXSY-SNVBAGLBSA-N 0 0 371.319 2.137 50 5 FEBARN COc1ccc(OC[C@@H](O)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000046060812 570923393 /nfs/dbraw/zinc/92/33/93/570923393.db2.gz CMBRIBKHYCBJEG-HNNXBMFYSA-N 0 0 370.365 2.302 50 5 FEBARN Cc1cccc(C)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000711528 210264632 /nfs/dbraw/zinc/26/46/32/210264632.db2.gz DQQDJRKXMXQLNW-UHFFFAOYSA-N 0 0 353.334 2.446 50 5 FEBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000000694605 210262346 /nfs/dbraw/zinc/26/23/46/210262346.db2.gz IOFQWDYNTLOPPW-VOTSOKGWSA-N 0 0 355.350 2.186 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1c(Cl)cnn1C ZINC000000652398 210258052 /nfs/dbraw/zinc/25/80/52/210258052.db2.gz GXQCDJJDAQXIMD-UHFFFAOYSA-N 0 0 353.791 2.417 50 5 FEBARN O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccccc2)CC1 ZINC000000975270 539336220 /nfs/dbraw/zinc/33/62/20/539336220.db2.gz SAXBPAQXBDSDTN-UHFFFAOYSA-N 0 0 365.393 2.293 50 5 FEBARN COCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002859216 539356187 /nfs/dbraw/zinc/35/61/87/539356187.db2.gz PYEQFEZBLMDCRE-UHFFFAOYSA-N 0 0 357.366 2.152 50 5 FEBARN COC(=O)c1cc(C(=O)Oc2c(C=O)cccc2OC)cc([N+](=O)[O-])c1 ZINC000002851399 539355024 /nfs/dbraw/zinc/35/50/24/539355024.db2.gz NMDJQMUJJPHKBA-UHFFFAOYSA-N 0 0 359.290 2.422 50 5 FEBARN COc1cc(C(=O)OCC(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OC ZINC000003341049 539363924 /nfs/dbraw/zinc/36/39/24/539363924.db2.gz CXHBUAYRPINRTP-UHFFFAOYSA-N 0 0 366.370 2.218 50 5 FEBARN COC(=O)c1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003559107 539370413 /nfs/dbraw/zinc/37/04/13/539370413.db2.gz PTYMICILLDRFTR-UHFFFAOYSA-N 0 0 371.349 2.140 50 5 FEBARN NS(=O)(=O)c1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 ZINC000004048178 539375193 /nfs/dbraw/zinc/37/51/93/539375193.db2.gz ZZRFJIFJNVRWDG-UHFFFAOYSA-N 0 0 369.746 2.175 50 5 FEBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)nn12 ZINC000004483670 539385044 /nfs/dbraw/zinc/38/50/44/539385044.db2.gz NPZYTBOTBJAKQW-WQLSENKSSA-N 0 0 356.388 2.335 50 5 FEBARN CCOc1ccc(NC(=S)NC(=O)c2cnn(CC)c2)c([N+](=O)[O-])c1 ZINC000004619416 539389061 /nfs/dbraw/zinc/38/90/61/539389061.db2.gz VUZQCGGOEMCTMK-UHFFFAOYSA-N 0 0 363.399 2.337 50 5 FEBARN CC[C@H](C)NC(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000004660439 539389694 /nfs/dbraw/zinc/38/96/94/539389694.db2.gz LXCHLZMTFOLNAQ-ZDUSSCGKSA-N 0 0 363.414 2.466 50 5 FEBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCc1ccco1 ZINC000004840498 539393712 /nfs/dbraw/zinc/39/37/12/539393712.db2.gz DQINIKOPRDMDJT-UHFFFAOYSA-N 0 0 373.365 2.261 50 5 FEBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)cc1 ZINC000005094162 539402045 /nfs/dbraw/zinc/40/20/45/539402045.db2.gz IEQPGYTUUOOUMS-GFCCVEGCSA-N 0 0 360.374 2.310 50 5 FEBARN COc1cccc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000005034647 539400585 /nfs/dbraw/zinc/40/05/85/539400585.db2.gz GQXJPLXSXKTGPL-UHFFFAOYSA-N 0 0 374.378 2.286 50 5 FEBARN O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000005314776 539407951 /nfs/dbraw/zinc/40/79/51/539407951.db2.gz HIMDYUOANWISBL-UHFFFAOYSA-N 0 0 361.379 2.387 50 5 FEBARN CC(C)NS(=O)(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000006785641 539437344 /nfs/dbraw/zinc/43/73/44/539437344.db2.gz TVINYBISOHHVRK-UHFFFAOYSA-N 0 0 350.400 2.289 50 5 FEBARN C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O ZINC000008844918 539493165 /nfs/dbraw/zinc/49/31/65/539493165.db2.gz KSYDHHQYPHZTRH-GTNSWQLSSA-N 0 0 360.370 2.034 50 5 FEBARN COc1cc(CCNC(=O)NCc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000009112499 539497437 /nfs/dbraw/zinc/49/74/37/539497437.db2.gz WKLVFQHIADZNCV-UHFFFAOYSA-N 0 0 360.370 2.049 50 5 FEBARN O=C(C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)N1CCOCC1 ZINC000012557647 539565750 /nfs/dbraw/zinc/56/57/50/539565750.db2.gz HUNVTZLSOIKFQR-UHFFFAOYSA-N 0 0 370.409 2.218 50 5 FEBARN COc1ccc(OCCN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000013986483 539593356 /nfs/dbraw/zinc/59/33/56/539593356.db2.gz BKNJLUWUQFHYIC-UHFFFAOYSA-N 0 0 358.398 2.199 50 5 FEBARN COc1ccccc1CNC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000015515017 539619638 /nfs/dbraw/zinc/61/96/38/539619638.db2.gz BNCFGFTUCBNIGD-UHFFFAOYSA-N 0 0 371.393 2.370 50 5 FEBARN CN(C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000023107809 539705993 /nfs/dbraw/zinc/70/59/93/539705993.db2.gz PAOZWDQUKDSIFW-ZDUSSCGKSA-N 0 0 355.441 2.238 50 5 FEBARN O=C(Cc1noc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000032004640 539924982 /nfs/dbraw/zinc/92/49/82/539924982.db2.gz IOMZWEDFFMTAAU-UHFFFAOYSA-N 0 0 367.365 2.022 50 5 FEBARN Nc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000032796952 539953877 /nfs/dbraw/zinc/95/38/77/539953877.db2.gz GBMPQIJXNDDYNA-OAHLLOKOSA-N 0 0 354.366 2.420 50 5 FEBARN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 ZINC000033853100 539976340 /nfs/dbraw/zinc/97/63/40/539976340.db2.gz XNYIYLZJLLDUHG-KRWDZBQOSA-N 0 0 357.410 2.157 50 5 FEBARN CCCc1nn(C)c(C(=O)Nc2ccc(Cn3cncn3)cc2)c1[N+](=O)[O-] ZINC000048045955 540341476 /nfs/dbraw/zinc/34/14/76/540341476.db2.gz ALNLTSFWUQWHPY-UHFFFAOYSA-N 0 0 369.385 2.173 50 5 FEBARN Cc1ccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000005659313 219692830 /nfs/dbraw/zinc/69/28/30/219692830.db2.gz AYRNDNHBHQEBAP-UHFFFAOYSA-N 0 0 368.349 2.435 50 5 FEBARN Cc1nnc(Sc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[nH]1 ZINC000014255026 220120851 /nfs/dbraw/zinc/12/08/51/220120851.db2.gz FKSNJZHHVXZCNN-UHFFFAOYSA-N 0 0 368.318 2.466 50 5 FEBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCOc1cccc([N+](=O)[O-])c1 ZINC000040116913 211725219 /nfs/dbraw/zinc/72/52/19/211725219.db2.gz IZACZLSIORLAGE-UHFFFAOYSA-N 0 0 357.278 2.178 50 5 FEBARN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCC3)c([N+](=O)[O-])c2)C1 ZINC000032899472 211570112 /nfs/dbraw/zinc/57/01/12/211570112.db2.gz XUMKLCOORKUIGE-STQMWFEESA-N 0 0 353.444 2.472 50 5 FEBARN CCN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000075109851 542153225 /nfs/dbraw/zinc/15/32/25/542153225.db2.gz PIADYNIYGCWKNQ-UHFFFAOYSA-N 0 0 360.183 2.274 50 5 FEBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1CCCN1CCOCC1 ZINC000020458402 211281750 /nfs/dbraw/zinc/28/17/50/211281750.db2.gz IPHQMEZATQRREA-UHFFFAOYSA-N 0 0 369.377 2.066 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019782427 211255265 /nfs/dbraw/zinc/25/52/65/211255265.db2.gz SPRPZHTWOVZZSR-UHFFFAOYSA-N 0 0 369.377 2.282 50 5 FEBARN O=C(CN1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1)Nc1ccccc1 ZINC000012985982 211016240 /nfs/dbraw/zinc/01/62/40/211016240.db2.gz TZLFBWVQEHOREC-UHFFFAOYSA-N 0 0 372.381 2.021 50 5 FEBARN COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCCC3)n2)c1 ZINC000009350482 210829568 /nfs/dbraw/zinc/82/95/68/210829568.db2.gz SVLSPTINQOQAHD-UHFFFAOYSA-N 0 0 360.374 2.328 50 5 FEBARN Nc1cc(-c2cccc(F)c2)nn1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005034687 210592736 /nfs/dbraw/zinc/59/27/36/210592736.db2.gz CZJDSQFOBQTJMQ-UHFFFAOYSA-N 0 0 362.342 2.417 50 5 FEBARN CCNC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000001315604 210340793 /nfs/dbraw/zinc/34/07/93/210340793.db2.gz KIVFPCUTABBTFT-UHFFFAOYSA-N 0 0 352.350 2.108 50 5 FEBARN CN(Cc1c(F)cccc1Cl)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000009498098 210285199 /nfs/dbraw/zinc/28/51/99/210285199.db2.gz WRJZKDDWIGQPON-UHFFFAOYSA-N 0 0 353.737 2.208 50 5 FEBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1Cc2ccccc2C1=O ZINC000000867250 210285263 /nfs/dbraw/zinc/28/52/63/210285263.db2.gz DZTSKJBDEFZMQP-JXMROGBWSA-N 0 0 351.362 2.380 50 5 FEBARN Nc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000032796953 220683249 /nfs/dbraw/zinc/68/32/49/220683249.db2.gz GBMPQIJXNDDYNA-HNNXBMFYSA-N 0 0 354.366 2.420 50 5 FEBARN O=C(CNc1ccccc1[N+](=O)[O-])NCCNc1ccc([N+](=O)[O-])cc1 ZINC000048308810 221006751 /nfs/dbraw/zinc/00/67/51/221006751.db2.gz AKPDVNBFZRLYGJ-UHFFFAOYSA-N 0 0 359.342 2.143 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000010327840 132382123 /nfs/dbraw/zinc/38/21/23/132382123.db2.gz MFTACQFJYJAPOS-UHFFFAOYSA-N 0 0 368.393 2.191 50 5 FEBARN NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(OCc2ccccc2)CC1 ZINC000040083060 136119224 /nfs/dbraw/zinc/11/92/24/136119224.db2.gz PGIIPALZGSSSNR-UHFFFAOYSA-N 0 0 356.382 2.274 50 5 FEBARN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1Cc2ccccc21 ZINC000170646478 546169258 /nfs/dbraw/zinc/16/92/58/546169258.db2.gz XUZJHPALGAEPNT-AWEZNQCLSA-N 0 0 354.362 2.365 50 5 FEBARN CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc([N+](=O)[O-])c(F)c2)c1C ZINC000253419085 549688159 /nfs/dbraw/zinc/68/81/59/549688159.db2.gz IEWGWBFVGTXPNF-UHFFFAOYSA-N 0 0 370.406 2.236 50 5 FEBARN CC(C)C1(O)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 ZINC000170089489 571262184 /nfs/dbraw/zinc/26/21/84/571262184.db2.gz XHFVXMXJJMFGPX-UHFFFAOYSA-N 0 0 350.418 2.384 50 5 FEBARN Cc1cc(C)n(Cc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)n1 ZINC000000653083 210257523 /nfs/dbraw/zinc/25/75/23/210257523.db2.gz UPVPOYQQRUAYDG-UHFFFAOYSA-N 0 0 354.370 2.442 50 5 FEBARN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002740367 539351677 /nfs/dbraw/zinc/35/16/77/539351677.db2.gz VAQKXKAOAUVDPH-CYBMUJFWSA-N 0 0 372.333 2.114 50 5 FEBARN Cc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000002853770 539355190 /nfs/dbraw/zinc/35/51/90/539355190.db2.gz DYZVGVKYRUROMX-UHFFFAOYSA-N 0 0 350.352 2.475 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(O)cc1 ZINC000003507636 539368644 /nfs/dbraw/zinc/36/86/44/539368644.db2.gz MRIWXOYUQLVBQA-SNVBAGLBSA-N 0 0 360.322 2.493 50 5 FEBARN Cc1nn(CC(=O)OCC(=O)N(c2ccccc2)C(C)C)c(C)c1[N+](=O)[O-] ZINC000003374321 539364734 /nfs/dbraw/zinc/36/47/34/539364734.db2.gz QXKNBSMADGJRAS-UHFFFAOYSA-N 0 0 374.397 2.393 50 5 FEBARN COc1cc(C(=O)OCC(=O)N(C(C)C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000003449710 539366364 /nfs/dbraw/zinc/36/63/64/539366364.db2.gz FXGABYNWGZHVAO-UHFFFAOYSA-N 0 0 368.386 2.414 50 5 FEBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nnc(C2CC2)s1 ZINC000003552702 539370531 /nfs/dbraw/zinc/37/05/31/539370531.db2.gz GKKDQBPWXFRHPA-UHFFFAOYSA-N 0 0 361.383 2.082 50 5 FEBARN Cc1c(NC(=O)CN2C(=O)N[C@](C)(CC(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000003593858 539371297 /nfs/dbraw/zinc/37/12/97/539371297.db2.gz SJKRKIHVXXQGJS-QGZVFWFLSA-N 0 0 362.386 2.198 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004113576 539377447 /nfs/dbraw/zinc/37/74/47/539377447.db2.gz DBPHTTTYJGFOFP-ZDUSSCGKSA-N 0 0 351.384 2.129 50 5 FEBARN NC(=O)COc1ccc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)cc1 ZINC000003642560 539373446 /nfs/dbraw/zinc/37/34/46/539373446.db2.gz PJOQORGLPCXDEN-UHFFFAOYSA-N 0 0 370.321 2.088 50 5 FEBARN Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2n1 ZINC000004523917 539387533 /nfs/dbraw/zinc/38/75/33/539387533.db2.gz IKWRHYSXZRJQQH-UHFFFAOYSA-N 0 0 358.383 2.380 50 5 FEBARN CC(C)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000004580606 539388127 /nfs/dbraw/zinc/38/81/27/539388127.db2.gz ANHVUSZOMDZTPV-ZQUAPKCZSA-N 0 0 369.381 2.179 50 5 FEBARN O=C(CN1C(=O)CN(c2ccccc2)C1=O)Nc1ccccc1[N+](=O)[O-] ZINC000005014254 539399523 /nfs/dbraw/zinc/39/95/23/539399523.db2.gz ILHYCSSRECBRFN-UHFFFAOYSA-N 0 0 354.322 2.002 50 5 FEBARN O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000005035972 539400057 /nfs/dbraw/zinc/40/00/57/539400057.db2.gz BTEBOJHGQNHJRI-UHFFFAOYSA-N 0 0 364.452 2.492 50 5 FEBARN CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005912831 539418448 /nfs/dbraw/zinc/41/84/48/539418448.db2.gz UQXUOHZQYOAGRK-UHFFFAOYSA-N 0 0 365.367 2.032 50 5 FEBARN Cc1ccc(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000007157618 539449185 /nfs/dbraw/zinc/44/91/85/539449185.db2.gz XGCIOVJDXDPQLY-UHFFFAOYSA-N 0 0 372.337 2.189 50 5 FEBARN C[C@H](C(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008726589 539490516 /nfs/dbraw/zinc/49/05/16/539490516.db2.gz CBKIMINFEOFCPI-CYBMUJFWSA-N 0 0 374.418 2.342 50 5 FEBARN CC(=O)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000009280199 539500768 /nfs/dbraw/zinc/50/07/68/539500768.db2.gz HEHDOVPQQJGTNG-UHFFFAOYSA-N 0 0 353.385 2.136 50 5 FEBARN O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)OCO2 ZINC000009470680 539502900 /nfs/dbraw/zinc/50/29/00/539502900.db2.gz DWMACTDDQQSWBS-UHFFFAOYSA-N 0 0 358.354 2.235 50 5 FEBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc[nH]c1=O ZINC000009891577 539508661 /nfs/dbraw/zinc/50/86/61/539508661.db2.gz GUVBXLCWSFUZNP-UHFFFAOYSA-N 0 0 370.287 2.144 50 5 FEBARN Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000010717454 539519605 /nfs/dbraw/zinc/51/96/05/539519605.db2.gz PXETZIROQZOEMG-UHFFFAOYSA-N 0 0 358.306 2.427 50 5 FEBARN O=[N+]([O-])c1ccccc1CN1CC(S(=O)(=O)c2ccccc2F)C1 ZINC000328594939 210100895 /nfs/dbraw/zinc/10/08/95/210100895.db2.gz GJIBDMVFZYQABO-UHFFFAOYSA-N 0 0 350.371 2.392 50 5 FEBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCCO2 ZINC000011761022 539535303 /nfs/dbraw/zinc/53/53/03/539535303.db2.gz XZEMJMZLWWVLFL-UHFFFAOYSA-N 0 0 371.349 2.125 50 5 FEBARN Cc1cc(OCC(=O)NC[C@@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000012567782 539565917 /nfs/dbraw/zinc/56/59/17/539565917.db2.gz RVZQPECSGRCJCV-CQSZACIVSA-N 0 0 358.350 2.238 50 5 FEBARN COc1cc(C(=O)Nn2cnc3ccccc32)c([N+](=O)[O-])c(OC)c1OC ZINC000012786737 539573952 /nfs/dbraw/zinc/57/39/52/539573952.db2.gz RQLGKMOFFDEYLU-UHFFFAOYSA-N 0 0 372.337 2.354 50 5 FEBARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)O[C@@H](C)C1 ZINC000015173732 539613185 /nfs/dbraw/zinc/61/31/85/539613185.db2.gz HDQQCGOTXLEQLS-STQMWFEESA-N 0 0 371.459 2.239 50 5 FEBARN O=C(CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000024247729 539728488 /nfs/dbraw/zinc/72/84/88/539728488.db2.gz PCTMINPVDITVOE-UHFFFAOYSA-N 0 0 354.410 2.351 50 5 FEBARN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000024748207 539739991 /nfs/dbraw/zinc/73/99/91/539739991.db2.gz IKJAHYSZWFISSP-GOSISDBHSA-N 0 0 355.394 2.398 50 5 FEBARN CC1CCC(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000035624732 539984177 /nfs/dbraw/zinc/98/41/77/539984177.db2.gz YYKLNSCYNJBHLS-UHFFFAOYSA-N 0 0 367.471 2.480 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCN(c2ncccn2)C1 ZINC000040153781 540008250 /nfs/dbraw/zinc/00/82/50/540008250.db2.gz GMDJPNFDTNVVKC-LBPRGKRZSA-N 0 0 357.370 2.252 50 5 FEBARN COc1ccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 ZINC000004497195 219579110 /nfs/dbraw/zinc/57/91/10/219579110.db2.gz JLTHRJFULNRSRN-CQSZACIVSA-N 0 0 369.377 2.068 50 5 FEBARN CCN(CCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1C ZINC000046992386 540282541 /nfs/dbraw/zinc/28/25/41/540282541.db2.gz NBPOLADIVGPLRO-UHFFFAOYSA-N 0 0 359.430 2.359 50 5 FEBARN Cc1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000050321291 540404748 /nfs/dbraw/zinc/40/47/48/540404748.db2.gz DKNARRNVCNHVTO-ZBFHGGJFSA-N 0 0 362.382 2.230 50 5 FEBARN Cc1nn(C)c(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000058202130 540833508 /nfs/dbraw/zinc/83/35/08/540833508.db2.gz UQCXNLBSHIVYNF-CQSZACIVSA-N 0 0 359.386 2.366 50 5 FEBARN Cc1ccc(-c2ccc(/C=c3/sc4ncnn4c3=O)o2)cc1[N+](=O)[O-] ZINC000059267038 212014654 /nfs/dbraw/zinc/01/46/54/212014654.db2.gz IGORRTRPFNERMQ-VGOFMYFVSA-N 0 0 354.347 2.175 50 5 FEBARN CCc1ccc(CNC(=O)CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000058265712 212001455 /nfs/dbraw/zinc/00/14/55/212001455.db2.gz YENLZXMKCDFQJB-UHFFFAOYSA-N 0 0 368.436 2.309 50 5 FEBARN COc1ccc(/C=C/C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000013543839 220072264 /nfs/dbraw/zinc/07/22/64/220072264.db2.gz MGGHACFNPQGVFS-FNORWQNLSA-N 0 0 360.322 2.228 50 5 FEBARN O=C(Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000013714393 220087886 /nfs/dbraw/zinc/08/78/86/220087886.db2.gz ZZZLIEHFGHZTRT-UHFFFAOYSA-N 0 0 369.377 2.248 50 5 FEBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000018212119 220227970 /nfs/dbraw/zinc/22/79/70/220227970.db2.gz FAGLVIMPTPTPBH-GOEBONIOSA-N 0 0 351.318 2.196 50 5 FEBARN O=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1[N+](=O)[O-] ZINC000024866095 211415823 /nfs/dbraw/zinc/41/58/23/211415823.db2.gz ZKNMHYMTIUDGBW-UHFFFAOYSA-N 0 0 352.306 2.334 50 5 FEBARN O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CCOCC1 ZINC000020177632 211271322 /nfs/dbraw/zinc/27/13/22/211271322.db2.gz JDSSCIRJQRRNBS-UHFFFAOYSA-N 0 0 360.414 2.189 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)cc1 ZINC000019312623 211213543 /nfs/dbraw/zinc/21/35/43/211213543.db2.gz NMQHIEQZJSSMNJ-UHFFFAOYSA-N 0 0 371.393 2.445 50 5 FEBARN Cc1cccc(C)c1OC[C@H](O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000015240596 211125670 /nfs/dbraw/zinc/12/56/70/211125670.db2.gz XJPCPGWHFMBJGP-CYBMUJFWSA-N 0 0 370.361 2.248 50 5 FEBARN COc1ccc(C(N)=O)c(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000013011016 211020751 /nfs/dbraw/zinc/02/07/51/211020751.db2.gz OZUKPIVQRNGKNB-JTQLQIEISA-N 0 0 359.338 2.108 50 5 FEBARN C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000012973509 211013117 /nfs/dbraw/zinc/01/31/17/211013117.db2.gz CPOCEKOTPXWPRZ-CYBMUJFWSA-N 0 0 367.365 2.432 50 5 FEBARN C[C@@H](C(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008726588 210798805 /nfs/dbraw/zinc/79/88/05/210798805.db2.gz CBKIMINFEOFCPI-ZDUSSCGKSA-N 0 0 374.418 2.342 50 5 FEBARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000002082099 210378936 /nfs/dbraw/zinc/37/89/36/210378936.db2.gz UMXRTMBQRKLMLA-HNNXBMFYSA-N 0 0 363.370 2.145 50 5 FEBARN COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1OC ZINC000001385517 210346876 /nfs/dbraw/zinc/34/68/76/210346876.db2.gz QEGOQGDYOMALHR-UHFFFAOYSA-N 0 0 369.337 2.445 50 5 FEBARN O=C(c1ccco1)N1CCN(C(=S)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000001117999 210319273 /nfs/dbraw/zinc/31/92/73/210319273.db2.gz BKLIWSVFCJJQLN-UHFFFAOYSA-N 0 0 360.395 2.343 50 5 FEBARN NC(=O)c1ccc(CN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)C2CC2)cc1 ZINC000025494324 220489871 /nfs/dbraw/zinc/48/98/71/220489871.db2.gz URORXQAAQOFTKO-UHFFFAOYSA-N 0 0 368.397 2.227 50 5 FEBARN O=C(NCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)NCc1ccccc1 ZINC000029889059 220613798 /nfs/dbraw/zinc/61/37/98/220613798.db2.gz VZGMUVQLVFFXLT-UHFFFAOYSA-N 0 0 368.393 2.373 50 5 FEBARN COc1ccc(OC)c([C@H](O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000032912609 220696539 /nfs/dbraw/zinc/69/65/39/220696539.db2.gz QEKUCSLRYOIFAW-OAHLLOKOSA-N 0 0 361.354 2.467 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000048331919 221008264 /nfs/dbraw/zinc/00/82/64/221008264.db2.gz RKQKBVUTPDNXJH-UHFFFAOYSA-N 0 0 362.386 2.126 50 5 FEBARN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000058159712 221100854 /nfs/dbraw/zinc/10/08/54/221100854.db2.gz MOMDVTOKOCRODT-UHFFFAOYSA-N 0 0 365.411 2.299 50 5 FEBARN O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000010327292 132382200 /nfs/dbraw/zinc/38/22/00/132382200.db2.gz VRBRLUIKMXVWKK-UHFFFAOYSA-N 0 0 372.356 2.021 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003879647 132385854 /nfs/dbraw/zinc/38/58/54/132385854.db2.gz SWSMKVMRFRXKSK-UHFFFAOYSA-N 0 0 356.338 2.465 50 5 FEBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 ZINC000004104346 132386487 /nfs/dbraw/zinc/38/64/87/132386487.db2.gz XFGWAKKIBBTYIB-UHFFFAOYSA-N 0 0 360.395 2.025 50 5 FEBARN CC(C)C(=O)NC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000048300456 136123350 /nfs/dbraw/zinc/12/33/50/136123350.db2.gz UGLBWNKEXDZRSH-UHFFFAOYSA-N 0 0 360.414 2.221 50 5 FEBARN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000095466610 542971887 /nfs/dbraw/zinc/97/18/87/542971887.db2.gz GDJRASJPHGNNGG-MRXNPFEDSA-N 0 0 368.397 2.223 50 5 FEBARN Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)sc1C ZINC000097162895 222166405 /nfs/dbraw/zinc/16/64/05/222166405.db2.gz OOOFFKNJTNCGQS-UHFFFAOYSA-N 0 0 361.427 2.213 50 5 FEBARN Nc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1[N+](=O)[O-] ZINC000010762634 527470274 /nfs/dbraw/zinc/47/02/74/527470274.db2.gz MLVYSFHFISMIFC-UHFFFAOYSA-N 0 0 354.366 2.456 50 5 FEBARN CNC(=O)[C@H]1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2O1 ZINC000029767467 536397215 /nfs/dbraw/zinc/39/72/15/536397215.db2.gz XWIOASAWDFYFDL-MRXNPFEDSA-N 0 0 355.350 2.057 50 5 FEBARN COc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000055554751 536766916 /nfs/dbraw/zinc/76/69/16/536766916.db2.gz CMTRPKUYUPWZPD-UHFFFAOYSA-N 0 0 370.409 2.364 50 5 FEBARN C[C@@H](C(=O)N1CCc2ccccc21)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000039489488 571064756 /nfs/dbraw/zinc/06/47/56/571064756.db2.gz NMIJMPLKGMVTMC-NSHDSACASA-N 0 0 365.345 2.169 50 5 FEBARN CCOC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000002247737 539346996 /nfs/dbraw/zinc/34/69/96/539346996.db2.gz OIUKJEQDVBJVPF-UHFFFAOYSA-N 0 0 366.370 2.027 50 5 FEBARN O=C(CCn1nnc2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002532869 539349001 /nfs/dbraw/zinc/34/90/01/539349001.db2.gz FOQDFOUJNCHABI-UHFFFAOYSA-N 0 0 354.322 2.156 50 5 FEBARN NC(=O)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 ZINC000002761043 539351639 /nfs/dbraw/zinc/35/16/39/539351639.db2.gz XJGFOTVPVZNRSD-UHFFFAOYSA-N 0 0 365.349 2.191 50 5 FEBARN Nc1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 ZINC000002842953 539355056 /nfs/dbraw/zinc/35/50/56/539355056.db2.gz OELAKSKYRJUKEA-UHFFFAOYSA-N 0 0 368.425 2.369 50 5 FEBARN Cc1c(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)cccc1[N+](=O)[O-] ZINC000003595688 539371332 /nfs/dbraw/zinc/37/13/32/539371332.db2.gz IHJAFDWRMDFCRG-ZMZPIMSZSA-N 0 0 374.397 2.342 50 5 FEBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cnc2n(c1=O)CCS2 ZINC000004089035 539376472 /nfs/dbraw/zinc/37/64/72/539376472.db2.gz UPYFOMGCDQDADQ-UHFFFAOYSA-N 0 0 352.759 2.163 50 5 FEBARN O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NCc1ccco1 ZINC000004219492 539379351 /nfs/dbraw/zinc/37/93/51/539379351.db2.gz SNOBYYPKMVMRFW-UHFFFAOYSA-N 0 0 350.352 2.140 50 5 FEBARN COc1ccc(Nc2nc(NC[C@@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306095 539381856 /nfs/dbraw/zinc/38/18/56/539381856.db2.gz WFCDJNBWLORAEB-LBPRGKRZSA-N 0 0 360.374 2.310 50 5 FEBARN COc1ccc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(OC)c1 ZINC000004412128 539384119 /nfs/dbraw/zinc/38/41/19/539384119.db2.gz PVVOHWYDEKWLLB-UHFFFAOYSA-N 0 0 369.333 2.205 50 5 FEBARN O=C(CCNS(=O)(=O)c1cccs1)OCc1ccc([N+](=O)[O-])cc1 ZINC000006586364 539430389 /nfs/dbraw/zinc/43/03/89/539430389.db2.gz KSWAORHCJFHWTA-UHFFFAOYSA-N 0 0 370.408 2.068 50 5 FEBARN COCCNc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000009349288 539501275 /nfs/dbraw/zinc/50/12/75/539501275.db2.gz IIIPWCOPGIZQGJ-UHFFFAOYSA-N 0 0 369.428 2.235 50 5 FEBARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 ZINC000009157710 539498924 /nfs/dbraw/zinc/49/89/24/539498924.db2.gz KLANTYDOJYRDPZ-UHFFFAOYSA-N 0 0 372.381 2.083 50 5 FEBARN CCCCCNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCOC ZINC000009365333 539502469 /nfs/dbraw/zinc/50/24/69/539502469.db2.gz IROVARCDVDDAQQ-UHFFFAOYSA-N 0 0 367.402 2.116 50 5 FEBARN CNC(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000010826685 539520899 /nfs/dbraw/zinc/52/08/99/539520899.db2.gz ALZOUISVXAOSAR-UHFFFAOYSA-N 0 0 358.354 2.014 50 5 FEBARN CN1CCN(c2ccc(C(=O)NCc3ccccc3F)cc2[N+](=O)[O-])CC1 ZINC000012517174 539562194 /nfs/dbraw/zinc/56/21/94/539562194.db2.gz XLLUABBUBKSCCL-UHFFFAOYSA-N 0 0 372.400 2.416 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000023074498 539705058 /nfs/dbraw/zinc/70/50/58/539705058.db2.gz PJMHOPAXSYIQFA-SECBINFHSA-N 0 0 362.298 2.313 50 5 FEBARN Cc1sc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000024438489 539731666 /nfs/dbraw/zinc/73/16/66/539731666.db2.gz NUWFEGNIYZIEKK-UHFFFAOYSA-N 0 0 366.443 2.328 50 5 FEBARN CS(=O)(=O)Nc1cccc(C(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000025116518 539749562 /nfs/dbraw/zinc/74/95/62/539749562.db2.gz QANXVOLKJLIJRZ-UHFFFAOYSA-N 0 0 350.352 2.323 50 5 FEBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nn1cnc2ccccc21 ZINC000025321936 539756018 /nfs/dbraw/zinc/75/60/18/539756018.db2.gz RDPJSCVDVLBEIL-UHFFFAOYSA-N 0 0 355.354 2.387 50 5 FEBARN COc1cc(F)ccc1S(=O)(=O)n1cnc2cc([N+](=O)[O-])ccc21 ZINC000000783445 219320789 /nfs/dbraw/zinc/32/07/89/219320789.db2.gz AVVWJUVAMDEVDT-UHFFFAOYSA-N 0 0 351.315 2.329 50 5 FEBARN Cc1cccc(-c2c3c(c4nnc5ccccc5n42)n(C)c(=O)n(C)c3=O)c1 ZINC000000804793 219323775 /nfs/dbraw/zinc/32/37/75/219323775.db2.gz FUKHHETYTFAPRM-UHFFFAOYSA-N 0 0 371.400 2.409 50 5 FEBARN COc1cccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000000850461 219330806 /nfs/dbraw/zinc/33/08/06/219330806.db2.gz OFTNHCLAOWEQIG-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000000854688 219332433 /nfs/dbraw/zinc/33/24/33/219332433.db2.gz QWZWIBSKPSYXBG-UHFFFAOYSA-N 0 0 353.331 2.493 50 5 FEBARN C[C@H](NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000001125771 219375466 /nfs/dbraw/zinc/37/54/66/219375466.db2.gz UDIGCBSGXHXBJY-VIFPVBQESA-N 0 0 353.176 2.431 50 5 FEBARN COC(=O)C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000027972959 539822334 /nfs/dbraw/zinc/82/23/34/539822334.db2.gz AGGSXKUYNGCHFX-UHFFFAOYSA-N 0 0 356.400 2.139 50 5 FEBARN CC(C)NC(=O)CN1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000032803889 539953390 /nfs/dbraw/zinc/95/33/90/539953390.db2.gz UUFMZWVBRKSGIJ-UHFFFAOYSA-N 0 0 354.838 2.285 50 5 FEBARN C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)N1CCC(C)CC1 ZINC000032724210 539949166 /nfs/dbraw/zinc/94/91/66/539949166.db2.gz VROZCANWZHGWLW-LLVKDONJSA-N 0 0 364.354 2.127 50 5 FEBARN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)OCO2 ZINC000035567876 539983328 /nfs/dbraw/zinc/98/33/28/539983328.db2.gz DNXRDMZOSXBDMB-LLVKDONJSA-N 0 0 372.333 2.185 50 5 FEBARN O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nc(-c3ccc(F)cc3)nn12 ZINC000001778697 219418814 /nfs/dbraw/zinc/41/88/14/219418814.db2.gz YIZWROATDPUJEO-NTEUORMPSA-N 0 0 368.349 2.413 50 5 FEBARN CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040060199 540005114 /nfs/dbraw/zinc/00/51/14/540005114.db2.gz HAKBFOCDZLKEIP-WFASDCNBSA-N 0 0 369.443 2.053 50 5 FEBARN Cn1c2cc(NCCC3=CCCCC3)c([N+](=O)[O-])cc2n(C)c(=O)c1=O ZINC000004853431 219614601 /nfs/dbraw/zinc/61/46/01/219614601.db2.gz DSDNNHBMWUIHGQ-UHFFFAOYSA-N 0 0 358.398 2.448 50 5 FEBARN O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005445436 219680057 /nfs/dbraw/zinc/68/00/57/219680057.db2.gz DGWKOHRBKAZFQL-UHFFFAOYSA-N 0 0 360.370 2.178 50 5 FEBARN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000010382737 219902354 /nfs/dbraw/zinc/90/23/54/219902354.db2.gz CSRDYGJIWUTONN-JTQLQIEISA-N 0 0 364.383 2.125 50 5 FEBARN Cc1cc(OCC(=O)NC[C@H]2COc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000012567783 220008162 /nfs/dbraw/zinc/00/81/62/220008162.db2.gz RVZQPECSGRCJCV-AWEZNQCLSA-N 0 0 358.350 2.238 50 5 FEBARN CCOc1ccccc1N1C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000012918301 220042526 /nfs/dbraw/zinc/04/25/26/220042526.db2.gz GQCOHXNRDQLNJN-UHFFFAOYSA-N 0 0 369.333 2.489 50 5 FEBARN Cc1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)cc1[N+](=O)[O-] ZINC000016751778 220193204 /nfs/dbraw/zinc/19/32/04/220193204.db2.gz YPTZCPOWJVHRNQ-UHFFFAOYSA-N 0 0 370.774 2.002 50 5 FEBARN CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000019940007 220307301 /nfs/dbraw/zinc/30/73/01/220307301.db2.gz PDYFVULYMMSZNY-UHFFFAOYSA-N 0 0 363.361 2.480 50 5 FEBARN CN1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)sc2C1 ZINC000022698950 220395501 /nfs/dbraw/zinc/39/55/01/220395501.db2.gz QQAPDQXWBIBTKA-UHFFFAOYSA-N 0 0 363.355 2.200 50 5 FEBARN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000023596682 220428551 /nfs/dbraw/zinc/42/85/51/220428551.db2.gz FQTAYHOKDSJRSL-HNNXBMFYSA-N 0 0 361.423 2.460 50 5 FEBARN CCOC(=O)c1cc(C(=O)Nc2ccc(N(C)C)nc2)cc([N+](=O)[O-])c1 ZINC000030117624 220615337 /nfs/dbraw/zinc/61/53/37/220615337.db2.gz IVDYVVCBJVCGBK-UHFFFAOYSA-N 0 0 358.354 2.485 50 5 FEBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)N1CCc2sccc2C1 ZINC000054919157 221056177 /nfs/dbraw/zinc/05/61/77/221056177.db2.gz TYWQHIVXBIPOJG-UHFFFAOYSA-N 0 0 371.216 2.200 50 5 FEBARN CS(=O)(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057137231 221083780 /nfs/dbraw/zinc/08/37/80/221083780.db2.gz HIZYFWYLQPXMMJ-UHFFFAOYSA-N 0 0 367.349 2.450 50 5 FEBARN C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000057895410 221095527 /nfs/dbraw/zinc/09/55/27/221095527.db2.gz BUAUOTMHKWEJLW-NSHDSACASA-N 0 0 367.365 2.078 50 5 FEBARN C[C@@H]1CO[C@H](CO)CN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000095967564 132216389 /nfs/dbraw/zinc/21/63/89/132216389.db2.gz MGHWVGAPJSTJII-CJNGLKHVSA-N 0 0 356.378 2.412 50 5 FEBARN Cc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 ZINC000005050647 132256071 /nfs/dbraw/zinc/25/60/71/132256071.db2.gz VORYJEYDZYSFTO-UHFFFAOYSA-N 0 0 355.398 2.302 50 5 FEBARN C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000004835490 132824802 /nfs/dbraw/zinc/82/48/02/132824802.db2.gz MQIROFNSBRWJAC-GFCCVEGCSA-N 0 0 361.398 2.267 50 5 FEBARN Nc1nc(NCc2ccc(Cl)cc2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000005164137 132827272 /nfs/dbraw/zinc/82/72/72/132827272.db2.gz DXWUDSYMPSNHLF-UHFFFAOYSA-N 0 0 364.793 2.069 50 5 FEBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047241799 136122730 /nfs/dbraw/zinc/12/27/30/136122730.db2.gz YFWAUEHJNNFANG-MFKMUULPSA-N 0 0 359.304 2.146 50 5 FEBARN CCCCn1c(=N)c(C(=O)OCC)cc2c1nc1c(C)cccn1c2=O ZINC000101085317 222262363 /nfs/dbraw/zinc/26/23/63/222262363.db2.gz MSFNXJMIKQHJEK-UHFFFAOYSA-N 0 0 354.410 2.414 50 5 FEBARN O=C(CSc1nnnn1-c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001029695 263142101 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FEBARN O=C(CSc1nnnn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1F ZINC000003247822 539361925 /nfs/dbraw/zinc/36/19/25/539361925.db2.gz CJOONYSRRUXIKD-UHFFFAOYSA-N 0 0 374.357 2.440 50 5 FEBARN Cc1ccc(COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000003467868 539367987 /nfs/dbraw/zinc/36/79/87/539367987.db2.gz GFWKVGAWEZHAMV-UHFFFAOYSA-N 0 0 354.318 2.243 50 5 FEBARN COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc1C ZINC000003670854 539373285 /nfs/dbraw/zinc/37/32/85/539373285.db2.gz KXAMAYGDAFQMOB-UHFFFAOYSA-N 0 0 366.311 2.307 50 5 FEBARN COc1cc(C=O)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000003885115 539373668 /nfs/dbraw/zinc/37/36/68/539373668.db2.gz FYMJPZKLZMQIDG-UHFFFAOYSA-N 0 0 351.336 2.492 50 5 FEBARN Cc1cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248380 539379612 /nfs/dbraw/zinc/37/96/12/539379612.db2.gz BBDLIKNWBXBTEI-UHFFFAOYSA-N 0 0 353.674 2.372 50 5 FEBARN Cc1cccn2cc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc12 ZINC000004248508 539379617 /nfs/dbraw/zinc/37/96/17/539379617.db2.gz ZJTZALVQOHLTSD-UHFFFAOYSA-N 0 0 360.395 2.072 50 5 FEBARN CC(=O)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004704369 539390047 /nfs/dbraw/zinc/39/00/47/539390047.db2.gz ONLCYKOPHKRVQL-UHFFFAOYSA-N 0 0 369.377 2.483 50 5 FEBARN O=C(COC(=O)c1ccc2c(c1)OCCO2)Nc1ccc([N+](=O)[O-])cc1 ZINC000004926605 539395647 /nfs/dbraw/zinc/39/56/47/539395647.db2.gz OLDYFRUBBFJHLO-UHFFFAOYSA-N 0 0 358.306 2.162 50 5 FEBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCc3ccc(C)cc3)[n+]2[O-])cc1 ZINC000005005452 539399351 /nfs/dbraw/zinc/39/93/51/539399351.db2.gz QQXMCQUIGAEGFT-UHFFFAOYSA-N 0 0 355.354 2.343 50 5 FEBARN COc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c([N+](=O)[O-])c1 ZINC000005326943 539408223 /nfs/dbraw/zinc/40/82/23/539408223.db2.gz RCMRQRLVORBZID-UHFFFAOYSA-N 0 0 368.353 2.204 50 5 FEBARN Nn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C1CC1 ZINC000005959841 539419531 /nfs/dbraw/zinc/41/95/31/539419531.db2.gz MTRIJZVKXMHIGL-UHFFFAOYSA-N 0 0 368.806 2.162 50 5 FEBARN CCOc1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000006083977 539421760 /nfs/dbraw/zinc/42/17/60/539421760.db2.gz JXATYZVYPPCBKO-UHFFFAOYSA-N 0 0 368.349 2.342 50 5 FEBARN O=C(CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CCCCC1 ZINC000006243334 539424234 /nfs/dbraw/zinc/42/42/34/539424234.db2.gz RKGUNRNZRKIYPO-UHFFFAOYSA-N 0 0 359.382 2.420 50 5 FEBARN Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)c([N+](=O)[O-])cc1C ZINC000006596253 539431886 /nfs/dbraw/zinc/43/18/86/539431886.db2.gz CEWYQXKWSZALSR-UHFFFAOYSA-N 0 0 362.415 2.125 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccccc1 ZINC000006402935 539427595 /nfs/dbraw/zinc/42/75/95/539427595.db2.gz XIDGDVUZYAJUDN-UHFFFAOYSA-N 0 0 363.395 2.359 50 5 FEBARN Cc1cc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)n(-c2ccccc2)n1 ZINC000006814585 539438503 /nfs/dbraw/zinc/43/85/03/539438503.db2.gz XGWSZKUANARXIS-UHFFFAOYSA-N 0 0 355.358 2.099 50 5 FEBARN CC(=O)c1ccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1 ZINC000007238943 539452250 /nfs/dbraw/zinc/45/22/50/539452250.db2.gz QQEGSHCQUKBEIU-UHFFFAOYSA-N 0 0 368.393 2.223 50 5 FEBARN COCCn1c(=O)c2ccccc2nc1Sc1ccc([N+](=O)[O-])cn1 ZINC000008746787 539491255 /nfs/dbraw/zinc/49/12/55/539491255.db2.gz JHENJKGLAQASJF-UHFFFAOYSA-N 0 0 358.379 2.497 50 5 FEBARN COc1cc(CCNC(=O)NCCc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000012545894 539564402 /nfs/dbraw/zinc/56/44/02/539564402.db2.gz XPOFJQAYLJWOCV-UHFFFAOYSA-N 0 0 374.397 2.091 50 5 FEBARN CS(=O)(=O)c1ccc(F)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000024593231 539734563 /nfs/dbraw/zinc/73/45/63/539734563.db2.gz PHVQYKRUKDLDJD-UHFFFAOYSA-N 0 0 352.343 2.319 50 5 FEBARN CC(C)OC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1C ZINC000000976383 219349305 /nfs/dbraw/zinc/34/93/05/219349305.db2.gz MXALNOPFJNWMIU-UHFFFAOYSA-N 0 0 366.399 2.346 50 5 FEBARN Cc1ccc(NC(=O)CN2CCN(Cc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000027378221 539806545 /nfs/dbraw/zinc/80/65/45/539806545.db2.gz HJEOGCKGHFQAJT-UHFFFAOYSA-N 0 0 369.425 2.055 50 5 FEBARN CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000001141292 219379417 /nfs/dbraw/zinc/37/94/17/219379417.db2.gz MLJDJOWZGXISOE-UHFFFAOYSA-N 0 0 371.349 2.026 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000028040932 539825008 /nfs/dbraw/zinc/82/50/08/539825008.db2.gz YIHMFWGEVXDTBU-UHFFFAOYSA-N 0 0 362.411 2.069 50 5 FEBARN COc1ccc(CNC(=O)Cc2nnc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 ZINC000032607195 539944474 /nfs/dbraw/zinc/94/44/74/539944474.db2.gz FPMMWBDNJNKWAM-UHFFFAOYSA-N 0 0 367.365 2.247 50 5 FEBARN CN(C)C(=O)c1cccc(Oc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1 ZINC000032923613 539959459 /nfs/dbraw/zinc/95/94/59/539959459.db2.gz HMEYMCAGSLKSQI-UHFFFAOYSA-N 0 0 354.322 2.097 50 5 FEBARN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000036391993 539990532 /nfs/dbraw/zinc/99/05/32/539990532.db2.gz AYRHSTZPMSUBPI-NSHDSACASA-N 0 0 363.395 2.457 50 5 FEBARN COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001793577 219418570 /nfs/dbraw/zinc/41/85/70/219418570.db2.gz ZHEODWWCHIFPSA-OAHLLOKOSA-N 0 0 363.370 2.097 50 5 FEBARN COC(=O)c1cc(C(=O)NC[C@H](C)Cn2nc(C)cc2C)cc([N+](=O)[O-])c1 ZINC000040142519 540007534 /nfs/dbraw/zinc/00/75/34/540007534.db2.gz LZPZKTIOZJQLSQ-NSHDSACASA-N 0 0 374.397 2.261 50 5 FEBARN COc1cc(C(=O)Nc2sccc2C(N)=O)c([N+](=O)[O-])cc1OC ZINC000003359527 219503178 /nfs/dbraw/zinc/50/31/78/219503178.db2.gz DZXPLXUMNHPIKF-UHFFFAOYSA-N 0 0 351.340 2.025 50 5 FEBARN O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000004555275 219586721 /nfs/dbraw/zinc/58/67/21/219586721.db2.gz VKFGKRYDUCGSFF-CQSZACIVSA-N 0 0 368.345 2.374 50 5 FEBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(CN2CCOCC2)c1 ZINC000047227872 540297589 /nfs/dbraw/zinc/29/75/89/540297589.db2.gz QCPBKNDSMPIPOL-UHFFFAOYSA-N 0 0 369.421 2.286 50 5 FEBARN CC1(C)C(=O)NC(=O)N1COC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000048546963 540366011 /nfs/dbraw/zinc/36/60/11/540366011.db2.gz XIKNNWDLYQZAEN-UHFFFAOYSA-N 0 0 356.722 2.085 50 5 FEBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC[C@H]1CCCO1 ZINC000005449710 219681106 /nfs/dbraw/zinc/68/11/06/219681106.db2.gz QHPZGIHZWJAMOR-CQSZACIVSA-N 0 0 374.349 2.307 50 5 FEBARN CC(=O)Nc1cccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006214889 219720180 /nfs/dbraw/zinc/72/01/80/219720180.db2.gz JLSKGDNKXAMCFA-UHFFFAOYSA-N 0 0 370.365 2.312 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc2c(c1)OCO2 ZINC000006609055 219740557 /nfs/dbraw/zinc/74/05/57/219740557.db2.gz HLABYFKUHAPCPD-UHFFFAOYSA-N 0 0 358.306 2.427 50 5 FEBARN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 ZINC000007602787 219809823 /nfs/dbraw/zinc/80/98/23/219809823.db2.gz APQAMGJKAGVZOQ-UHFFFAOYSA-N 0 0 364.379 2.272 50 5 FEBARN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)c2ccccc21 ZINC000012544120 220005690 /nfs/dbraw/zinc/00/56/90/220005690.db2.gz IACUOUOLJFTHNK-XLIONFOSSA-N 0 0 363.373 2.328 50 5 FEBARN C[C@@H]1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000012616596 220014416 /nfs/dbraw/zinc/01/44/16/220014416.db2.gz HBKIMBXYBDNGCT-AOOOYVTPSA-N 0 0 356.762 2.041 50 5 FEBARN Cc1nnc(Sc2cc(NCCCO)c([N+](=O)[O-])c3nonc32)s1 ZINC000013521003 220071186 /nfs/dbraw/zinc/07/11/86/220071186.db2.gz PIMYSBWAQQENMR-UHFFFAOYSA-N 0 0 368.400 2.236 50 5 FEBARN COC(=O)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000014015872 220102887 /nfs/dbraw/zinc/10/28/87/220102887.db2.gz MDTUYGVWLAUKKP-AWEZNQCLSA-N 0 0 358.350 2.394 50 5 FEBARN Cc1cccc(C)c1OC[C@@H](O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000015240594 220150633 /nfs/dbraw/zinc/15/06/33/220150633.db2.gz XJPCPGWHFMBJGP-ZDUSSCGKSA-N 0 0 370.361 2.248 50 5 FEBARN Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000015881336 220170846 /nfs/dbraw/zinc/17/08/46/220170846.db2.gz OECVMTPUMYJCJF-UHFFFAOYSA-N 0 0 368.353 2.454 50 5 FEBARN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000075094551 542151154 /nfs/dbraw/zinc/15/11/54/542151154.db2.gz CRUMIYVTOCYQCZ-UHFFFAOYSA-N 0 0 358.354 2.140 50 5 FEBARN CC(=O)Nc1nc2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2s1 ZINC000020310270 220320807 /nfs/dbraw/zinc/32/08/07/220320807.db2.gz AWQINOFBWBWOOC-UHFFFAOYSA-N 0 0 360.355 2.149 50 5 FEBARN Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]n1 ZINC000048312207 221006901 /nfs/dbraw/zinc/00/69/01/221006901.db2.gz VOHGFSIUEFAZHG-UHFFFAOYSA-N 0 0 357.292 2.487 50 5 FEBARN O=C(C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)N1CCCC1 ZINC000048273876 221003983 /nfs/dbraw/zinc/00/39/83/221003983.db2.gz FQAKJAQIISDZPI-UHFFFAOYSA-N 0 0 357.414 2.236 50 5 FEBARN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052283686 221038005 /nfs/dbraw/zinc/03/80/05/221038005.db2.gz AFDYIWCBFZXLMP-SNVBAGLBSA-N 0 0 365.386 2.333 50 5 FEBARN Cc1nn(C)c(N2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c1[N+](=O)[O-] ZINC000058166046 221102130 /nfs/dbraw/zinc/10/21/30/221102130.db2.gz KJMWOLWNLYVUGL-CYBMUJFWSA-N 0 0 358.402 2.195 50 5 FEBARN CCOC(=O)CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000058179281 221103091 /nfs/dbraw/zinc/10/30/91/221103091.db2.gz PEDGIOGLTKDYPJ-UHFFFAOYSA-N 0 0 357.794 2.460 50 5 FEBARN O=C([C@@H]1Cc2ccccc2O1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000058099838 221098875 /nfs/dbraw/zinc/09/88/75/221098875.db2.gz IMXSBTGOXVYGID-SFHVURJKSA-N 0 0 353.378 2.247 50 5 FEBARN C[C@@H](c1cccc(F)c1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000095456932 132211262 /nfs/dbraw/zinc/21/12/62/132211262.db2.gz UNIAZJUEZKSXIM-LBPRGKRZSA-N 0 0 373.388 2.111 50 5 FEBARN CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000006596123 132258854 /nfs/dbraw/zinc/25/88/54/132258854.db2.gz PDLALVUCTSIUJQ-UHFFFAOYSA-N 0 0 353.378 2.494 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000003880639 132385853 /nfs/dbraw/zinc/38/58/53/132385853.db2.gz SSWUPDVRKALGTH-UHFFFAOYSA-N 0 0 361.423 2.414 50 5 FEBARN Cc1nc(CCNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cs1 ZINC000089587219 542765446 /nfs/dbraw/zinc/76/54/46/542765446.db2.gz REWCJUAFXQEUJT-UHFFFAOYSA-N 0 0 359.404 2.328 50 5 FEBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCc2ccccc21 ZINC000057364213 136128848 /nfs/dbraw/zinc/12/88/48/136128848.db2.gz VTLJMMRBRHETSD-UHFFFAOYSA-N 0 0 366.421 2.306 50 5 FEBARN Cc1nn(CC(=O)N2c3ccccc3NC(=O)C2(C)C)c(C)c1[N+](=O)[O-] ZINC000003324659 136151714 /nfs/dbraw/zinc/15/17/14/136151714.db2.gz JHFYWTNLQVRBJR-UHFFFAOYSA-N 0 0 357.370 2.172 50 5 FEBARN C[C@@H](OC(=O)[C@H]1CCCc2c[nH]nc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095443971 542970315 /nfs/dbraw/zinc/97/03/15/542970315.db2.gz DJZIFCPMFNQPNV-YGRLFVJLSA-N 0 0 358.354 2.308 50 5 FEBARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005339187 263340465 /nfs/dbraw/zinc/34/04/65/263340465.db2.gz PNDVYWXTVAFGKA-UHFFFAOYSA-N 0 0 361.379 2.387 50 5 FEBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2)CC1 ZINC000008723466 526862340 /nfs/dbraw/zinc/86/23/40/526862340.db2.gz GRKAHUSDXWPNLY-UHFFFAOYSA-N 0 0 353.378 2.173 50 5 FEBARN Cc1nc([N+](=O)[O-])cn1CC(=O)O[C@H](C)C(=O)c1ccc2c(c1)CCC2 ZINC000089709027 527088579 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FEBARN O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000004184287 539378400 /nfs/dbraw/zinc/37/84/00/539378400.db2.gz RVKJXEOLYUJFOX-UHFFFAOYSA-N 0 0 350.425 2.373 50 5 FEBARN COc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004893466 539395015 /nfs/dbraw/zinc/39/50/15/539395015.db2.gz HGLBSKFCVOJIRH-UHFFFAOYSA-N 0 0 371.393 2.331 50 5 FEBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004895853 539395127 /nfs/dbraw/zinc/39/51/27/539395127.db2.gz YTMYYACFKWVHBJ-UHFFFAOYSA-N 0 0 371.349 2.412 50 5 FEBARN O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccccc1 ZINC000005068654 539401646 /nfs/dbraw/zinc/40/16/46/539401646.db2.gz GWFRJKYPALUFFQ-GOSISDBHSA-N 0 0 351.318 2.422 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1S(C)(=O)=O ZINC000005223008 539405441 /nfs/dbraw/zinc/40/54/41/539405441.db2.gz VZVHBRLGZPLMNY-UHFFFAOYSA-N 0 0 350.352 2.259 50 5 FEBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005826981 539417274 /nfs/dbraw/zinc/41/72/74/539417274.db2.gz FXZYHOQIWUCQIQ-UHFFFAOYSA-N 0 0 358.285 2.406 50 5 FEBARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])N1 ZINC000006394387 539427033 /nfs/dbraw/zinc/42/70/33/539427033.db2.gz KACKWDABUDXXJT-TVQRCGJNSA-N 0 0 361.276 2.221 50 5 FEBARN O=C(Oc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000006212678 539424165 /nfs/dbraw/zinc/42/41/65/539424165.db2.gz QJFJQDKJIGLHJU-UHFFFAOYSA-N 0 0 372.333 2.379 50 5 FEBARN CC1=C[C@@](O)(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])N1 ZINC000006394301 539427365 /nfs/dbraw/zinc/42/73/65/539427365.db2.gz KACKWDABUDXXJT-NOZJJQNGSA-N 0 0 361.276 2.221 50 5 FEBARN COc1ccc(OC)c(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000007284918 539454266 /nfs/dbraw/zinc/45/42/66/539454266.db2.gz FWEJLNIELFWSMN-UHFFFAOYSA-N 0 0 370.317 2.091 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)NCCOc1cccc(C)c1 ZINC000008243722 539481121 /nfs/dbraw/zinc/48/11/21/539481121.db2.gz MSMONQYBNNMCDL-UHFFFAOYSA-N 0 0 360.366 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ZINC000000938618 219343057 /nfs/dbraw/zinc/34/30/57/219343057.db2.gz NQFUDPLJNXNPAP-UHFFFAOYSA-N 0 0 358.281 2.326 50 5 FEBARN CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000001135362 219378164 /nfs/dbraw/zinc/37/81/64/219378164.db2.gz FXCZYEASYBCFHA-UHFFFAOYSA-N 0 0 367.358 2.139 50 5 FEBARN CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000001152732 219382341 /nfs/dbraw/zinc/38/23/41/219382341.db2.gz UOBZSVLNMSDOGD-UHFFFAOYSA-N 0 0 369.443 2.200 50 5 FEBARN Cn1cnc([N+](=O)[O-])c1NCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000029623946 539859307 /nfs/dbraw/zinc/85/93/07/539859307.db2.gz ADWJSSXGOLTAOJ-UHFFFAOYSA-N 0 0 358.185 2.477 50 5 FEBARN O=C(CN1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000032803882 539953756 /nfs/dbraw/zinc/95/37/56/539953756.db2.gz QAIDKDUGRJIPJH-UHFFFAOYSA-N 0 0 366.849 2.383 50 5 FEBARN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000032921905 539959287 /nfs/dbraw/zinc/95/92/87/539959287.db2.gz ZIQMANJUINMOIA-LLVKDONJSA-N 0 0 363.395 2.457 50 5 FEBARN COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C)c1 ZINC000037275868 539996073 /nfs/dbraw/zinc/99/60/73/539996073.db2.gz ZADPVGDAWAFVQK-CYBMUJFWSA-N 0 0 369.377 2.481 50 5 FEBARN O=C(Nc1cccc(CN2CCOCC2)c1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC000002729283 219460002 /nfs/dbraw/zinc/46/00/02/219460002.db2.gz CQGINEYVCYWUBW-UHFFFAOYSA-N 0 0 365.777 2.056 50 5 FEBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000041624430 540027944 /nfs/dbraw/zinc/02/79/44/540027944.db2.gz WMSDOXTWIYFIIX-NOLJZWGESA-N 0 0 361.398 2.339 50 5 FEBARN COC(=O)c1cccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 ZINC000003559208 219518909 /nfs/dbraw/zinc/51/89/09/219518909.db2.gz RCWRVJUDJUHGIG-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)C23CC4CC(CC(C4)C2)C3)c1=O ZINC000047369153 540305562 /nfs/dbraw/zinc/30/55/62/540305562.db2.gz JLPBVSAVPIZHEK-UHFFFAOYSA-N 0 0 374.393 2.329 50 5 FEBARN COCCNc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000009349287 219878886 /nfs/dbraw/zinc/87/88/86/219878886.db2.gz NDUDFCMYISZHCM-UHFFFAOYSA-N 0 0 369.428 2.235 50 5 FEBARN CN(Cc1nc2ccccc2c(=O)[nH]1)c1nc2sccn2c1[N+](=O)[O-] ZINC000009466484 219880495 /nfs/dbraw/zinc/88/04/95/219880495.db2.gz YLVBICUVJZJCJV-UHFFFAOYSA-N 0 0 356.367 2.177 50 5 FEBARN Cc1ccc(C(=O)NCC(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000013005700 220052199 /nfs/dbraw/zinc/05/21/99/220052199.db2.gz DHBALZNYZOROMY-UHFFFAOYSA-N 0 0 363.399 2.247 50 5 FEBARN COc1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000015125582 220148578 /nfs/dbraw/zinc/14/85/78/220148578.db2.gz DAMSTZWZNYPMNV-UHFFFAOYSA-N 0 0 360.370 2.058 50 5 FEBARN CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCO)c([N+](=O)[O-])c1 ZINC000015205487 220149337 /nfs/dbraw/zinc/14/93/37/220149337.db2.gz UZIVZNOLYXFKFR-UHFFFAOYSA-N 0 0 365.411 2.214 50 5 FEBARN O=C(NCCc1cccc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000016176930 220180359 /nfs/dbraw/zinc/18/03/59/220180359.db2.gz AKXRBNLXMQCCKY-UHFFFAOYSA-N 0 0 355.329 2.287 50 5 FEBARN CN1CCN(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 ZINC000017073401 220201517 /nfs/dbraw/zinc/20/15/17/220201517.db2.gz YXXIWAYWHVPVJJ-UHFFFAOYSA-N 0 0 354.819 2.355 50 5 FEBARN O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000018244183 220230366 /nfs/dbraw/zinc/23/03/66/220230366.db2.gz IVSZKQITVIEMLX-ZIAGYGMSSA-N 0 0 368.349 2.139 50 5 FEBARN CCn1c2ccccc2c(NCCCN2CCOCC2)c([N+](=O)[O-])c1=O ZINC000019808889 220299745 /nfs/dbraw/zinc/29/97/45/220299745.db2.gz YZHFSGLZTJUYKA-UHFFFAOYSA-N 0 0 360.414 2.064 50 5 FEBARN Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000024536159 220450372 /nfs/dbraw/zinc/45/03/72/220450372.db2.gz VWGBCKJBHRJFNU-UHFFFAOYSA-N 0 0 350.718 2.021 50 5 FEBARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000024840758 220465560 /nfs/dbraw/zinc/46/55/60/220465560.db2.gz QOBILOGTMAECAG-UHFFFAOYSA-N 0 0 361.260 2.108 50 5 FEBARN Cc1cc([N+](=O)[O-])sc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000048309195 221006896 /nfs/dbraw/zinc/00/68/96/221006896.db2.gz ZXCNNSSYEWBIES-CQSZACIVSA-N 0 0 366.487 2.488 50 5 FEBARN Cc1nc([N+](=O)[O-])c(N2CCC(NC(=O)c3ccccc3C)CC2)n1C ZINC000050929836 221033027 /nfs/dbraw/zinc/03/30/27/221033027.db2.gz BRHDSLFCCBWQIW-UHFFFAOYSA-N 0 0 357.414 2.344 50 5 FEBARN CC(C)C(=O)N1CCCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000055282907 221066509 /nfs/dbraw/zinc/06/65/09/221066509.db2.gz FMTATXLIYYKVSZ-INIZCTEOSA-N 0 0 362.430 2.160 50 5 FEBARN CC[C@@H](C)[C@H](NCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C)C(=O)OC ZINC000058165240 221102147 /nfs/dbraw/zinc/10/21/47/221102147.db2.gz PHSSIMDRNWOPGQ-HWPZZCPQSA-N 0 0 367.402 2.028 50 5 FEBARN O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC(=O)OCc1ccccc1 ZINC000065835008 221237347 /nfs/dbraw/zinc/23/73/47/221237347.db2.gz NKVHHTLGQFUMKM-UHFFFAOYSA-N 0 0 367.361 2.409 50 5 FEBARN Cc1ccc(S(=O)(=O)NNc2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000071800240 221377604 /nfs/dbraw/zinc/37/76/04/221377604.db2.gz NUGVSEJBIJQWSV-UHFFFAOYSA-N 0 0 352.328 2.117 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)C[C@@H](C)O1 ZINC000005177464 132827286 /nfs/dbraw/zinc/82/72/86/132827286.db2.gz OXJHGIMIGYOBKP-VXGBXAGGSA-N 0 0 358.402 2.193 50 5 FEBARN COc1ncc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C(N)=O ZINC000095462148 221911542 /nfs/dbraw/zinc/91/15/42/221911542.db2.gz BLWSJEGTILWPDJ-UHFFFAOYSA-N 0 0 368.296 2.311 50 5 FEBARN COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCc2ccccc2)c1=N ZINC000100627175 222248294 /nfs/dbraw/zinc/24/82/94/222248294.db2.gz FEJVXZFZIBZSMW-UHFFFAOYSA-N 0 0 374.400 2.158 50 5 FEBARN COc1ccccc1OC[C@@H](O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004681096 263335826 /nfs/dbraw/zinc/33/58/26/263335826.db2.gz ZXIWOUSPHXDEPD-AWEZNQCLSA-N 0 0 360.366 2.082 50 5 FEBARN CCCCn1cc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C ZINC000020443103 263380360 /nfs/dbraw/zinc/38/03/60/263380360.db2.gz OHTJTBAZSRZEPM-UHFFFAOYSA-N 0 0 356.382 2.414 50 5 FEBARN O=C(NCCc1ccc(O)cc1)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020650925 526410709 /nfs/dbraw/zinc/41/07/09/526410709.db2.gz QDJKNCMDVKSXEN-UHFFFAOYSA-N 0 0 370.409 2.271 50 5 FEBARN CCOC(Cc1cc(=O)n(C)c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])OCC ZINC000261491923 528437063 /nfs/dbraw/zinc/43/70/63/528437063.db2.gz HFJZHLDQIMYBOO-UHFFFAOYSA-N 0 0 365.342 2.297 50 5 FEBARN CCn1nccc1CN(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000225649258 548740194 /nfs/dbraw/zinc/74/01/94/548740194.db2.gz XLNCDSWKQUEHQC-UHFFFAOYSA-N 0 0 374.369 2.444 50 5 FEBARN NC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001401067 539340752 /nfs/dbraw/zinc/34/07/52/539340752.db2.gz BNOAWLIFSMFBFI-UHFFFAOYSA-N 0 0 354.771 2.321 50 5 FEBARN CCOC(=O)c1cnc(SCC(=O)c2cccc([N+](=O)[O-])c2)nc1N ZINC000002161369 539345683 /nfs/dbraw/zinc/34/56/83/539345683.db2.gz LBTJATDWHPKWJJ-UHFFFAOYSA-N 0 0 362.367 2.119 50 5 FEBARN Cc1ccn(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)n1 ZINC000002806689 539353719 /nfs/dbraw/zinc/35/37/19/539353719.db2.gz CPLMHIGBCXYEJY-UHFFFAOYSA-N 0 0 374.382 2.262 50 5 FEBARN Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)NCc1ccco1 ZINC000002795379 539353910 /nfs/dbraw/zinc/35/39/10/539353910.db2.gz CXPGMOHYHYDXHG-UHFFFAOYSA-N 0 0 369.337 2.104 50 5 FEBARN CCn1ncc(Cl)c1CN(C)C(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000002802613 539354008 /nfs/dbraw/zinc/35/40/08/539354008.db2.gz CNLBYXIXSKKNMM-UHFFFAOYSA-N 0 0 354.798 2.018 50 5 FEBARN COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2ccc(F)cc2)c1 ZINC000002570930 539350083 /nfs/dbraw/zinc/35/00/83/539350083.db2.gz PXWLTFVCNSMDKP-UHFFFAOYSA-N 0 0 355.299 2.288 50 5 FEBARN O=C(Cc1cccs1)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 ZINC000002760512 539351742 /nfs/dbraw/zinc/35/17/42/539351742.db2.gz MRQFSXSNLXMMPZ-LBPRGKRZSA-N 0 0 368.436 2.283 50 5 FEBARN O=C(Nc1ccc(Cl)cc1C(=O)NCCO)c1cccc([N+](=O)[O-])c1 ZINC000002839095 539354800 /nfs/dbraw/zinc/35/48/00/539354800.db2.gz MYEPNGYBYPTHHI-UHFFFAOYSA-N 0 0 363.757 2.223 50 5 FEBARN Cc1c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000003239068 539360768 /nfs/dbraw/zinc/36/07/68/539360768.db2.gz KMOVBVCSKOVTOF-UHFFFAOYSA-N 0 0 358.306 2.427 50 5 aggregator FEBARN O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000003263133 539361645 /nfs/dbraw/zinc/36/16/45/539361645.db2.gz OCZRKLWZTYBXDG-GOSISDBHSA-N 0 0 353.334 2.325 50 5 FEBARN O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12 ZINC000003310705 539362485 /nfs/dbraw/zinc/36/24/85/539362485.db2.gz ASHQMYGWMFIHSU-RMKNXTFCSA-N 0 0 352.306 2.189 50 5 FEBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O ZINC000004307370 539381726 /nfs/dbraw/zinc/38/17/26/539381726.db2.gz QLVVNTPZYULPNO-GOSISDBHSA-N 0 0 371.324 2.384 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1c(F)cccc1F ZINC000004412173 539384650 /nfs/dbraw/zinc/38/46/50/539384650.db2.gz KXCQXXMBUYSSIE-UHFFFAOYSA-N 0 0 360.276 2.222 50 5 FEBARN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004523831 539387362 /nfs/dbraw/zinc/38/73/62/539387362.db2.gz KRVQXPSXJYPOQM-LLVKDONJSA-N 0 0 372.337 2.051 50 5 FEBARN O=C(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 ZINC000004551640 539388145 /nfs/dbraw/zinc/38/81/45/539388145.db2.gz MYAABHHOYLHCEF-UHFFFAOYSA-N 0 0 371.349 2.359 50 5 FEBARN COC(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 ZINC000004700473 539390346 /nfs/dbraw/zinc/39/03/46/539390346.db2.gz XVTMCTSBBCADQO-UHFFFAOYSA-N 0 0 358.306 2.405 50 5 FEBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 ZINC000004889950 539395100 /nfs/dbraw/zinc/39/51/00/539395100.db2.gz WYWUZIBXTMJVEA-UHFFFAOYSA-N 0 0 370.361 2.471 50 5 FEBARN COc1ccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000004957262 539397413 /nfs/dbraw/zinc/39/74/13/539397413.db2.gz PWXVGOWFIXWOOH-UHFFFAOYSA-N 0 0 366.395 2.133 50 5 FEBARN CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)C1 ZINC000004977907 539397850 /nfs/dbraw/zinc/39/78/50/539397850.db2.gz LFDLSZPMOOMRAR-AWEZNQCLSA-N 0 0 365.430 2.389 50 5 FEBARN Cc1nnc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)s1 ZINC000005270804 539407535 /nfs/dbraw/zinc/40/75/35/539407535.db2.gz YDURXTPEXGDCLE-UHFFFAOYSA-N 0 0 371.378 2.217 50 5 FEBARN COc1ccccc1C(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C ZINC000005342737 539409408 /nfs/dbraw/zinc/40/94/08/539409408.db2.gz QBNWLWXFCZNCQP-UHFFFAOYSA-N 0 0 354.366 2.463 50 5 FEBARN CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005845504 539417091 /nfs/dbraw/zinc/41/70/91/539417091.db2.gz XWTZOGOPPUWMMD-UHFFFAOYSA-N 0 0 363.301 2.323 50 5 FEBARN CCc1nn2c(nc(COc3cc(F)ccc3[N+](=O)[O-])cc2=O)s1 ZINC000006588396 539430771 /nfs/dbraw/zinc/43/07/71/539430771.db2.gz DONPIVBMJYZXQG-UHFFFAOYSA-N 0 0 350.331 2.340 50 5 FEBARN COc1cc([N+](=O)[O-])cc2cc(C(=O)NCc3cccnc3)c(=O)oc21 ZINC000006659153 539432440 /nfs/dbraw/zinc/43/24/40/539432440.db2.gz HAAVPENYMAABHD-UHFFFAOYSA-N 0 0 355.306 2.035 50 5 FEBARN COc1ccc(NC(=O)COC(=O)c2n[nH]c3ccccc32)c([N+](=O)[O-])c1 ZINC000006370978 539427543 /nfs/dbraw/zinc/42/75/43/539427543.db2.gz VPRGJYXSERWSTC-UHFFFAOYSA-N 0 0 370.321 2.275 50 5 FEBARN CCCCCCC(=O)Nc1ccc2nc3c(=O)n(C)c(=O)n(C)c3nc2c1 ZINC000006818708 539438855 /nfs/dbraw/zinc/43/88/55/539438855.db2.gz LFXYBSIELPXPAC-UHFFFAOYSA-N 0 0 369.425 2.089 50 5 FEBARN CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007984984 539473842 /nfs/dbraw/zinc/47/38/42/539473842.db2.gz HYPBBBZBPMYXCE-GQCTYLIASA-N 0 0 369.761 2.039 50 5 FEBARN CN(C)S(=O)(=O)c1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1 ZINC000008536760 539488449 /nfs/dbraw/zinc/48/84/49/539488449.db2.gz LOJHVUDGNQRASS-UHFFFAOYSA-N 0 0 366.395 2.303 50 5 FEBARN Cc1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)c([N+](=O)[O-])c1 ZINC000008729269 539490573 /nfs/dbraw/zinc/49/05/73/539490573.db2.gz QGAQBZXPMRSUQF-ZDUSSCGKSA-N 0 0 362.411 2.326 50 5 FEBARN Cc1nn(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1[N+](=O)[O-] ZINC000008985424 539495478 /nfs/dbraw/zinc/49/54/78/539495478.db2.gz GIYNEUCDZYVALK-UHFFFAOYSA-N 0 0 373.413 2.088 50 5 FEBARN C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccs1 ZINC000009085023 539497896 /nfs/dbraw/zinc/49/78/96/539497896.db2.gz OOLIMMRZXCAGQS-VIFPVBQESA-N 0 0 359.363 2.130 50 5 FEBARN Nc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1[N+](=O)[O-] ZINC000010234902 539514321 /nfs/dbraw/zinc/51/43/21/539514321.db2.gz AYJZOOYHWSAQHE-UHFFFAOYSA-N 0 0 351.366 2.352 50 5 FEBARN CC(C)(C)C(=O)COC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012549448 539564851 /nfs/dbraw/zinc/56/48/51/539564851.db2.gz COZWRHKLAHKFGJ-UHFFFAOYSA-N 0 0 350.371 2.203 50 5 FEBARN CN1CCN(c2ccc(-c3nc(-c4ccncc4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898042 539678067 /nfs/dbraw/zinc/67/80/67/539678067.db2.gz IGYXYNYBXDJDOA-UHFFFAOYSA-N 0 0 366.381 2.459 50 5 FEBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024135877 539726660 /nfs/dbraw/zinc/72/66/60/539726660.db2.gz CQJZXDBACYQIHL-UHFFFAOYSA-N 0 0 367.405 2.488 50 5 FEBARN CCOC(=O)c1ccc(OC[C@H](O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000024832472 539742209 /nfs/dbraw/zinc/74/22/09/539742209.db2.gz XTFAUEQFMQILPL-CQSZACIVSA-N 0 0 363.370 2.025 50 5 FEBARN Cc1nn(CC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000024987466 539746061 /nfs/dbraw/zinc/74/60/61/539746061.db2.gz LBVYDGNDNDHHBC-HNNXBMFYSA-N 0 0 371.397 2.038 50 5 FEBARN O=[N+]([O-])c1cc(OCC(F)(F)C(F)F)cc(SC[C@@H](O)CO)c1 ZINC000001051200 219359429 /nfs/dbraw/zinc/35/94/29/219359429.db2.gz CPKNLKQXEVTRNF-QMMMGPOBSA-N 0 0 359.297 2.319 50 5 FEBARN CC(C)NC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000001316386 219395128 /nfs/dbraw/zinc/39/51/28/219395128.db2.gz SCWSPTMMAJYBCQ-UHFFFAOYSA-N 0 0 366.377 2.496 50 5 FEBARN NC(=O)c1ccc(NC[C@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000029525953 539855840 /nfs/dbraw/zinc/85/58/40/539855840.db2.gz AUZFPGSBFFQSNL-GOSISDBHSA-N 0 0 370.409 2.179 50 5 FEBARN COCCn1c(C)nc2oc3ccc(Br)cc3c(=O)c2c1=O ZINC000002231236 219433454 /nfs/dbraw/zinc/43/34/54/219433454.db2.gz MDSHVXIJWMNUFS-UHFFFAOYSA-N 0 0 365.183 2.220 50 5 FEBARN COc1cccc(Cn2cc(NC(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)cn2)c1 ZINC000002747972 219461410 /nfs/dbraw/zinc/46/14/10/219461410.db2.gz HRNCTHMJINMWOF-LBPRGKRZSA-N 0 0 370.369 2.244 50 5 FEBARN CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 ZINC000003228067 219493284 /nfs/dbraw/zinc/49/32/84/219493284.db2.gz QEYFCNRWEDFHDN-UHFFFAOYSA-N 0 0 364.379 2.202 50 5 FEBARN Cc1c(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000003593856 219521352 /nfs/dbraw/zinc/52/13/52/219521352.db2.gz SJKRKIHVXXQGJS-KRWDZBQOSA-N 0 0 362.386 2.198 50 5 FEBARN COc1ccc(Nc2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])cc1 ZINC000004306096 219563632 /nfs/dbraw/zinc/56/36/32/219563632.db2.gz WFCDJNBWLORAEB-GFCCVEGCSA-N 0 0 360.374 2.310 50 5 FEBARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O ZINC000004551777 219585042 /nfs/dbraw/zinc/58/50/42/219585042.db2.gz FHLUUTSUZYZHJY-KPKJPENVSA-N 0 0 366.351 2.203 50 5 FEBARN C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000004882364 219618614 /nfs/dbraw/zinc/61/86/14/219618614.db2.gz ZPBVERGXMMNDSG-CYBMUJFWSA-N 0 0 371.393 2.471 50 5 FEBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000008708652 219867215 /nfs/dbraw/zinc/86/72/15/219867215.db2.gz QCSGKESGHKWHBP-UHFFFAOYSA-N 0 0 362.363 2.255 50 5 FEBARN CCOC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000009354641 219878590 /nfs/dbraw/zinc/87/85/90/219878590.db2.gz ZCWFSCHUXJMROB-UHFFFAOYSA-N 0 0 366.311 2.389 50 5 FEBARN COc1ccc(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000010327974 219899863 /nfs/dbraw/zinc/89/98/63/219899863.db2.gz VCAORYHFBJRGEM-UHFFFAOYSA-N 0 0 359.338 2.498 50 5 FEBARN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000012973659 220047836 /nfs/dbraw/zinc/04/78/36/220047836.db2.gz DDUSAZCTPLVDHK-AWEZNQCLSA-N 0 0 365.411 2.468 50 5 FEBARN COC(=O)c1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc(C(=O)OC)c1 ZINC000013882059 220097677 /nfs/dbraw/zinc/09/76/77/220097677.db2.gz WJVCFLJEDLDAPU-HYXAFXHYSA-N 0 0 374.305 2.413 50 5 FEBARN CCn1nccc1[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015836575 220167760 /nfs/dbraw/zinc/16/77/60/220167760.db2.gz YTQWMRFORHAHQQ-OAHLLOKOSA-N 0 0 350.400 2.337 50 5 FEBARN Cc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000017075057 220204122 /nfs/dbraw/zinc/20/41/22/220204122.db2.gz IPGROHIYGBZXPZ-UHFFFAOYSA-N 0 0 365.411 2.003 50 5 FEBARN Cc1nn(CN2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)c(C)c1[N+](=O)[O-] ZINC000058168846 221102752 /nfs/dbraw/zinc/10/27/52/221102752.db2.gz JGLMXVAECCTHBN-OAHLLOKOSA-N 0 0 372.429 2.420 50 5 FEBARN O=[N+]([O-])c1ccc(/C=C/c2nn3c(CN4CCOCC4)nnc3s2)cc1 ZINC000071260514 221337189 /nfs/dbraw/zinc/33/71/89/221337189.db2.gz NCJSETSTQCLKTR-ZZXKWVIFSA-N 0 0 372.410 2.097 50 5 FEBARN Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c([N+](=O)[O-])n1 ZINC000003415704 132385291 /nfs/dbraw/zinc/38/52/91/132385291.db2.gz VFMDZEUNEVMUJM-UHFFFAOYSA-N 0 0 370.365 2.441 50 5 FEBARN Cc1nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 ZINC000004044520 132386188 /nfs/dbraw/zinc/38/61/88/132386188.db2.gz JMWBBLCSAAETQR-UHFFFAOYSA-N 0 0 366.377 2.439 50 5 FEBARN O=c1[nH]c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 ZINC000030910070 132922301 /nfs/dbraw/zinc/92/23/01/132922301.db2.gz ZIQSDBOOWSBYKL-UHFFFAOYSA-N 0 0 365.393 2.154 50 5 FEBARN C[C@@H](Cn1ccnc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000048251428 136123027 /nfs/dbraw/zinc/12/30/27/136123027.db2.gz TVZJJDVSECATDU-AWEZNQCLSA-N 0 0 357.414 2.213 50 5 FEBARN C[C@@H](C(=O)Nc1nccs1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844667 136124612 /nfs/dbraw/zinc/12/46/12/136124612.db2.gz KYOIEWJEMDGXSO-LBPRGKRZSA-N 0 0 361.427 2.201 50 5 FEBARN O=[N+]([O-])c1cnc(N[C@H](CCO)C2CCOCC2)c(Br)c1 ZINC000095943014 221975570 /nfs/dbraw/zinc/97/55/70/221975570.db2.gz BQWJCUONDKRUQU-GFCCVEGCSA-N 0 0 360.208 2.342 50 5 FEBARN Cc1cccn2c1nc(=O)c1c2NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000100190746 222238483 /nfs/dbraw/zinc/23/84/83/222238483.db2.gz OVVFKZUJYRSUBW-ZDUSSCGKSA-N 0 0 350.334 2.385 50 5 FEBARN COC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCCC2)c1=N ZINC000100627821 222247787 /nfs/dbraw/zinc/24/77/87/222247787.db2.gz WYKVRYJXMSCZJK-UHFFFAOYSA-N 0 0 352.394 2.420 50 5 FEBARN CNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(C2CCCCC2)c1=N ZINC000100810828 222253708 /nfs/dbraw/zinc/25/37/08/222253708.db2.gz ISOOEAPROISNSD-UHFFFAOYSA-N 0 0 365.437 2.302 50 5 FEBARN COC(=O)/C=C\c1ccc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000804812878 674301956 /nfs/dbraw/zinc/30/19/56/674301956.db2.gz BSXQDUNSGVIBJF-XOIDGJRKSA-N 0 0 368.411 2.159 50 5 FEBARN O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@H]1CO ZINC000170611721 546164630 /nfs/dbraw/zinc/16/46/30/546164630.db2.gz LVRNYQCKZHVIQI-IFXJQAMLSA-N 0 0 355.394 2.419 50 5 FEBARN CC(C)[C@H]1NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O ZINC000225827403 548744238 /nfs/dbraw/zinc/74/42/38/548744238.db2.gz QZESFFNUKIBJGP-LLVKDONJSA-N 0 0 356.176 2.434 50 5 FEBARN CC(C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@H]3N=NN1c1ccccc1[N+](=O)[O-] ZINC000245234369 548901813 /nfs/dbraw/zinc/90/18/13/548901813.db2.gz ANHVUSZOMDZTPV-UHAWRJBMSA-N 0 0 369.381 2.179 50 5 FEBARN COC(=O)c1ccc(OC(=O)C=S([O-])c2ccccc2[N+](=O)[O-])cc1 ZINC000000936457 669943699 /nfs/dbraw/zinc/94/36/99/669943699.db2.gz FWZLNQSGWDMVNZ-VWLOTQADSA-N 0 0 363.347 2.095 50 5 FEBARN O=C(Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000001088724 539337985 /nfs/dbraw/zinc/33/79/85/539337985.db2.gz QCLHKJWRLYJLPS-CQSZACIVSA-N 0 0 366.370 2.432 50 5 FEBARN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001128803 539339016 /nfs/dbraw/zinc/33/90/16/539339016.db2.gz JAMNJEGSXPYZRE-UHFFFAOYSA-N 0 0 355.350 2.320 50 5 FEBARN Cn1cnnc1SCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002745839 539351641 /nfs/dbraw/zinc/35/16/41/539351641.db2.gz BCWLGTVGXMGLQQ-UHFFFAOYSA-N 0 0 350.385 2.064 50 5 FEBARN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000002709744 539351768 /nfs/dbraw/zinc/35/17/68/539351768.db2.gz VIYLGMPPXSIESB-UHFFFAOYSA-N 0 0 367.364 2.453 50 5 FEBARN NC(=O)c1ccccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000002827345 539354989 /nfs/dbraw/zinc/35/49/89/539354989.db2.gz NEIASFOYZBVSQW-CMDGGOBGSA-N 0 0 370.390 2.220 50 5 FEBARN COC(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2)cc([N+](=O)[O-])c1 ZINC000003219609 539360851 /nfs/dbraw/zinc/36/08/51/539360851.db2.gz PETXUXUQBXFKNP-UHFFFAOYSA-N 0 0 358.306 2.177 50 5 FEBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)NC(=O)Cc1ccccc1 ZINC000003365692 539364578 /nfs/dbraw/zinc/36/45/78/539364578.db2.gz ADPLDQMUAJOWIB-ZHACJKMWSA-N 0 0 368.345 2.037 50 5 FEBARN CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCOC)=C1C ZINC000003664254 539373550 /nfs/dbraw/zinc/37/35/50/539373550.db2.gz CKYXBKHTQAEFSM-OAHLLOKOSA-N 0 0 363.370 2.145 50 5 FEBARN O=C(NCc1n[nH]c(=O)c2ccccc12)c1cc([N+](=O)[O-])ccc1Cl ZINC000004317491 539381571 /nfs/dbraw/zinc/38/15/71/539381571.db2.gz UAFRKGGKJIIBET-UHFFFAOYSA-N 0 0 358.741 2.415 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1cnc2ccccc2c1=O ZINC000004825564 539393148 /nfs/dbraw/zinc/39/31/48/539393148.db2.gz XEHHMWHAKXWNQP-UHFFFAOYSA-N 0 0 368.349 2.342 50 5 FEBARN Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004834404 539393371 /nfs/dbraw/zinc/39/33/71/539393371.db2.gz UCRCOKKTPGAZQT-UHFFFAOYSA-N 0 0 363.395 2.162 50 5 FEBARN Cc1cccnc1NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000004855609 539393875 /nfs/dbraw/zinc/39/38/75/539393875.db2.gz ABTLLNZNERBIFD-UHFFFAOYSA-N 0 0 355.398 2.302 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C[C@@H](C)O1 ZINC000005032211 539399984 /nfs/dbraw/zinc/39/99/84/539399984.db2.gz ZBKOIWAMPFBYFG-GHMZBOCLSA-N 0 0 350.423 2.325 50 5 FEBARN CCN1CCN(c2nc(Nc3cccc(C)c3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005025278 539400047 /nfs/dbraw/zinc/40/00/47/539400047.db2.gz ZPOIPOCHHDZVHE-UHFFFAOYSA-N 0 0 357.418 2.161 50 5 FEBARN O=C(Nc1nccs1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O ZINC000005054911 539400936 /nfs/dbraw/zinc/40/09/36/539400936.db2.gz QCKGSPFNFUWRNE-UHFFFAOYSA-N 0 0 372.362 2.094 50 5 FEBARN Nc1nc(N2CCOCC2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000005065931 539401671 /nfs/dbraw/zinc/40/16/71/539401671.db2.gz STUQJYJMYVNRRT-UHFFFAOYSA-N 0 0 350.766 2.201 50 5 FEBARN COC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc1C ZINC000005958977 539419507 /nfs/dbraw/zinc/41/95/07/539419507.db2.gz UDQKLZUIBBDZFJ-UHFFFAOYSA-N 0 0 351.340 2.164 50 5 FEBARN CCCCCCn1c(=O)[nH]c2nc3cc(NC(C)=O)ccc3nc2c1=O ZINC000006733131 539436019 /nfs/dbraw/zinc/43/60/19/539436019.db2.gz WCRFUHHFRIFRBD-UHFFFAOYSA-N 0 0 355.398 2.172 50 5 FEBARN Cc1cc(OCC(=O)Nc2ccccc2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000008257035 539481547 /nfs/dbraw/zinc/48/15/47/539481547.db2.gz JISKXYKAGAGCMM-UHFFFAOYSA-N 0 0 364.379 2.324 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000008659850 539490070 /nfs/dbraw/zinc/49/00/70/539490070.db2.gz OGBGDUIPLLXPQJ-UHFFFAOYSA-N 0 0 362.323 2.372 50 5 FEBARN CN(CCOc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000008775926 539492377 /nfs/dbraw/zinc/49/23/77/539492377.db2.gz WJQGSUJNLIBMSF-UHFFFAOYSA-N 0 0 351.746 2.088 50 5 FEBARN CCOC(=O)c1ccccc1NC(=O)COc1ccc(C)nc1[N+](=O)[O-] ZINC000008824071 539493016 /nfs/dbraw/zinc/49/30/16/539493016.db2.gz QWXIBVRYETWXCE-UHFFFAOYSA-N 0 0 359.338 2.492 50 5 FEBARN O=C(COc1cc(N2CCCC2=O)ccc1[N+](=O)[O-])NCc1ccco1 ZINC000009513805 539503725 /nfs/dbraw/zinc/50/37/25/539503725.db2.gz QPCZPTOEOHUFMB-UHFFFAOYSA-N 0 0 359.338 2.010 50 5 FEBARN O=C(COC(=O)c1cccc(O)c1)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016743228 539636789 /nfs/dbraw/zinc/63/67/89/539636789.db2.gz GFDOYDXWOPBNBB-UHFFFAOYSA-N 0 0 356.334 2.437 50 5 FEBARN COC(=O)c1ccc(OCC(=O)N(C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000024937976 539744530 /nfs/dbraw/zinc/74/45/30/539744530.db2.gz NGDDKVKLDFHNOT-UHFFFAOYSA-N 0 0 364.379 2.480 50 5 FEBARN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000893166 219338268 /nfs/dbraw/zinc/33/82/68/219338268.db2.gz XPYMUWHOVBTJJC-UHFFFAOYSA-N 0 0 357.341 2.332 50 5 FEBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)n1 ZINC000000999919 219352059 /nfs/dbraw/zinc/35/20/59/219352059.db2.gz ZQVJTQIHOIPZGN-UHFFFAOYSA-N 0 0 357.370 2.207 50 5 FEBARN COC(=O)CCSc1cc([N+](=O)[O-])cc2onc(C3OCCO3)c21 ZINC000001085870 219367445 /nfs/dbraw/zinc/36/74/45/219367445.db2.gz YAAUPGARPCNNAF-UHFFFAOYSA-N 0 0 354.340 2.437 50 5 FEBARN C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 ZINC000001149612 219381541 /nfs/dbraw/zinc/38/15/41/219381541.db2.gz YWWBSUZTIQZRSR-VXGBXAGGSA-N 0 0 367.361 2.457 50 5 FEBARN O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc(I)cc1 ZINC000029749583 539863378 /nfs/dbraw/zinc/86/33/78/539863378.db2.gz GPVFNBHTSRHAHG-UHFFFAOYSA-N 0 0 357.107 2.279 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCCc2c1cnn2CCO ZINC000032932678 539960307 /nfs/dbraw/zinc/96/03/07/539960307.db2.gz MDJZPUOXFFELAM-AWEZNQCLSA-N 0 0 360.370 2.060 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 ZINC000036056120 539986049 /nfs/dbraw/zinc/98/60/49/539986049.db2.gz ZIWIGEFKOAGIKT-UHFFFAOYSA-N 0 0 353.444 2.234 50 5 FEBARN Cc1nnc(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)[nH]1 ZINC000036360209 539989533 /nfs/dbraw/zinc/98/95/33/539989533.db2.gz VKELONLSFNVCOP-UHFFFAOYSA-N 0 0 362.393 2.242 50 5 FEBARN Cc1cccc(COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000004313851 219563793 /nfs/dbraw/zinc/56/37/93/219563793.db2.gz CMHJUADYJHPNET-UHFFFAOYSA-N 0 0 354.318 2.243 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005091064 219649686 /nfs/dbraw/zinc/64/96/86/219649686.db2.gz XCJDXWQNTMYUDS-ZANVPECISA-N 0 0 361.379 2.416 50 5 FEBARN CCC(CC)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000006609613 219740576 /nfs/dbraw/zinc/74/05/76/219740576.db2.gz NAGXCRGXZKCQKH-UHFFFAOYSA-N 0 0 357.432 2.216 50 5 FEBARN COc1ccc(OC)c(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008487233 219862886 /nfs/dbraw/zinc/86/28/86/219862886.db2.gz JRFJTUXJJIHMRW-UHFFFAOYSA-N 0 0 373.365 2.371 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009468834 219880865 /nfs/dbraw/zinc/88/08/65/219880865.db2.gz OMGDHTLRCLGQMS-UHFFFAOYSA-N 0 0 359.338 2.425 50 5 FEBARN O=C(Cn1cnc([N+](=O)[O-])c1)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012740454 220023737 /nfs/dbraw/zinc/02/37/37/220023737.db2.gz YDQDXYLKWOWFTO-UHFFFAOYSA-N 0 0 372.381 2.148 50 5 FEBARN COC(=O)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000014015869 220102756 /nfs/dbraw/zinc/10/27/56/220102756.db2.gz MDTUYGVWLAUKKP-CQSZACIVSA-N 0 0 358.350 2.394 50 5 FEBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000017334845 220213306 /nfs/dbraw/zinc/21/33/06/220213306.db2.gz WFQFRUAUZMEJRV-UHFFFAOYSA-N 0 0 373.365 2.312 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(C)s2)CC1 ZINC000075103558 542152992 /nfs/dbraw/zinc/15/29/92/542152992.db2.gz WVXVNKXESUPISN-UHFFFAOYSA-N 0 0 362.411 2.473 50 5 FEBARN COc1cc(C(=O)NCC(C)(C)C[C@H](C)O)c([N+](=O)[O-])c(OC)c1OC ZINC000076086522 542230738 /nfs/dbraw/zinc/23/07/38/542230738.db2.gz DFJLUNFAYUZFNU-JTQLQIEISA-N 0 0 370.402 2.148 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)NCCNC(=O)c1ccccc1 ZINC000048331918 221007501 /nfs/dbraw/zinc/00/75/01/221007501.db2.gz ORJLZHMXSZBFQK-UHFFFAOYSA-N 0 0 358.354 2.155 50 5 FEBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1ccc(F)c(F)c1 ZINC000054919558 221056616 /nfs/dbraw/zinc/05/66/16/221056616.db2.gz CTDDDPMJJRQZSY-UHFFFAOYSA-N 0 0 361.102 2.471 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(CCO)CCCCC1 ZINC000095462030 542972078 /nfs/dbraw/zinc/97/20/78/542972078.db2.gz PDPSJHUNYPIPPC-UHFFFAOYSA-N 0 0 372.443 2.215 50 5 FEBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1 ZINC000098053586 222222338 /nfs/dbraw/zinc/22/23/38/222222338.db2.gz ZWSBZZCXINMZBP-FPLPWBNLSA-N 0 0 355.350 2.186 50 5 FEBARN CN(C)c1nccc(CN(C)c2ncc(Br)cc2[N+](=O)[O-])n1 ZINC000095460570 537707118 /nfs/dbraw/zinc/70/71/18/537707118.db2.gz FFRUVBBMJNZWRL-UHFFFAOYSA-N 0 0 367.207 2.245 50 5 FEBARN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC000252498482 549670058 /nfs/dbraw/zinc/67/00/58/549670058.db2.gz RCXOVSWMTIBYFT-ZDUSSCGKSA-N 0 0 372.410 2.425 50 5 FEBARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000002082100 539344632 /nfs/dbraw/zinc/34/46/32/539344632.db2.gz UMXRTMBQRKLMLA-OAHLLOKOSA-N 0 0 363.370 2.145 50 5 FEBARN O=C(COc1ncnc2cc([N+](=O)[O-])ccc21)NC(=O)NC1CCCCC1 ZINC000002657360 539350578 /nfs/dbraw/zinc/35/05/78/539350578.db2.gz KDVPQLYANWWFCQ-UHFFFAOYSA-N 0 0 373.369 2.075 50 5 FEBARN COc1cccc(N2C[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)c1 ZINC000004497102 539385696 /nfs/dbraw/zinc/38/56/96/539385696.db2.gz TWIPNDFCCXNDEL-ZDUSSCGKSA-N 0 0 369.377 2.447 50 5 FEBARN O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004901225 539395816 /nfs/dbraw/zinc/39/58/16/539395816.db2.gz OBVVSTCQYNLIQP-GOSISDBHSA-N 0 0 369.377 2.083 50 5 FEBARN COc1ccc(OC)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c1 ZINC000005034177 539400443 /nfs/dbraw/zinc/40/04/43/539400443.db2.gz JXEWLHGLPHTVMZ-UHFFFAOYSA-N 0 0 363.351 2.199 50 5 FEBARN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000005121318 539402728 /nfs/dbraw/zinc/40/27/28/539402728.db2.gz KZJUKNBVPHBONF-UHFFFAOYSA-N 0 0 366.351 2.175 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]([NH2+]CCCOC(C)C)C(=O)[O-] ZINC000005258400 539406386 /nfs/dbraw/zinc/40/63/86/539406386.db2.gz UXQJBLFUQJFQNI-HNNXBMFYSA-N 0 0 367.402 2.090 50 5 FEBARN CC(=O)c1c(COC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2[n+]1[O-] ZINC000005577312 539412862 /nfs/dbraw/zinc/41/28/62/539412862.db2.gz WMRABDFPQFCIKW-UHFFFAOYSA-N 0 0 367.317 2.336 50 5 FEBARN C[C@H]1CCCC[C@@H]1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000005693778 539416172 /nfs/dbraw/zinc/41/61/72/539416172.db2.gz SONOSZANGSVWHP-JSGCOSHPSA-N 0 0 350.419 2.106 50 5 FEBARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006482185 539428772 /nfs/dbraw/zinc/42/87/72/539428772.db2.gz IJEOYDVAAYLQCP-UHFFFAOYSA-N 0 0 371.806 2.274 50 5 FEBARN CN(C)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000006530286 539429353 /nfs/dbraw/zinc/42/93/53/539429353.db2.gz HEBATKRACQCGTB-LBPRGKRZSA-N 0 0 373.818 2.422 50 5 FEBARN O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000007046750 539446086 /nfs/dbraw/zinc/44/60/86/539446086.db2.gz IQBZNHSGUHPINO-UHFFFAOYSA-N 0 0 363.345 2.382 50 5 FEBARN CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007248062 539452503 /nfs/dbraw/zinc/45/25/03/539452503.db2.gz XBPRRBQLFVTIBW-CYBMUJFWSA-N 0 0 364.379 2.055 50 5 FEBARN O=C(NCc1ccc(N2CCOCC2)nc1)Nc1cccc([N+](=O)[O-])c1 ZINC000010260321 539514963 /nfs/dbraw/zinc/51/49/63/539514963.db2.gz SFQKSUBJEZDJBX-UHFFFAOYSA-N 0 0 357.370 2.148 50 5 FEBARN C[C@@H]1CN(c2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000012360892 539556665 /nfs/dbraw/zinc/55/66/65/539556665.db2.gz QUZSTUAYGZBXHS-PHIMTYICSA-N 0 0 350.423 2.325 50 5 FEBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)nn12 ZINC000012438508 539560267 /nfs/dbraw/zinc/56/02/67/539560267.db2.gz NPZYTBOTBJAKQW-XYOKQWHBSA-N 0 0 356.388 2.335 50 5 FEBARN Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000014220802 539599862 /nfs/dbraw/zinc/59/98/62/539599862.db2.gz FNKWMQYMISYJHC-CYBMUJFWSA-N 0 0 359.386 2.040 50 5 FEBARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000018077710 539646454 /nfs/dbraw/zinc/64/64/54/539646454.db2.gz HVWJMWNUNUWNLN-UHFFFAOYSA-N 0 0 355.350 2.286 50 5 FEBARN COc1cc(CN2CCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000022591760 539696711 /nfs/dbraw/zinc/69/67/11/539696711.db2.gz WKAMFQSBEDUFIX-UHFFFAOYSA-N 0 0 358.398 2.329 50 5 FEBARN CC(C)c1nnc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)s1 ZINC000025323415 539755801 /nfs/dbraw/zinc/75/58/01/539755801.db2.gz UGTXFDPZDSNWIA-UHFFFAOYSA-N 0 0 370.412 2.226 50 5 FEBARN CN(c1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1)S(C)(=O)=O ZINC000001127691 219375976 /nfs/dbraw/zinc/37/59/76/219375976.db2.gz SWJYSEOQONXNEU-UHFFFAOYSA-N 0 0 363.395 2.172 50 5 FEBARN NC(=O)c1ccc(N2CCN(C(=O)CCC3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000032779334 539952503 /nfs/dbraw/zinc/95/25/03/539952503.db2.gz NOLWIMOGOXAFNP-UHFFFAOYSA-N 0 0 374.441 2.313 50 5 FEBARN Cc1cccc(C(=O)NCc2ccccc2Cn2cncn2)c1[N+](=O)[O-] ZINC000040081413 540005470 /nfs/dbraw/zinc/00/54/70/540005470.db2.gz ZOCIKHLXZBGSRV-UHFFFAOYSA-N 0 0 351.366 2.473 50 5 FEBARN CS(=O)(=O)c1ccc(NC[C@@H](O)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000040083179 540005599 /nfs/dbraw/zinc/00/55/99/540005599.db2.gz OQHAQKJXKAARNR-OAHLLOKOSA-N 0 0 354.359 2.283 50 5 FEBARN O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cnc2n(c1=O)CCS2 ZINC000004089034 219541437 /nfs/dbraw/zinc/54/14/37/219541437.db2.gz XRHVLCABIBLUHN-UHFFFAOYSA-N 0 0 352.759 2.163 50 5 FEBARN COCc1ccccc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000044549824 540130440 /nfs/dbraw/zinc/13/04/40/540130440.db2.gz FYWKLPAMWPPANH-UHFFFAOYSA-N 0 0 371.349 2.105 50 5 FEBARN COC(=O)c1sccc1S(=O)(=O)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000046814837 540271702 /nfs/dbraw/zinc/27/17/02/540271702.db2.gz JHQSDHIYENUYHM-UHFFFAOYSA-N 0 0 370.408 2.264 50 5 FEBARN COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc1 ZINC000005125485 219653084 /nfs/dbraw/zinc/65/30/84/219653084.db2.gz WGJYJJMJTRGJDH-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN CNc1ccc(C(=O)OCC(=O)Nc2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000005363875 219673753 /nfs/dbraw/zinc/67/37/53/219673753.db2.gz SFQZNYHRNZLMOJ-UHFFFAOYSA-N 0 0 361.358 2.209 50 5 FEBARN C[C@H]1CCCC[C@H]1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000005693789 219694707 /nfs/dbraw/zinc/69/47/07/219694707.db2.gz SONOSZANGSVWHP-GXTWGEPZSA-N 0 0 350.419 2.106 50 5 FEBARN COC(=O)Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006786565 219769963 /nfs/dbraw/zinc/76/99/63/219769963.db2.gz GKMCEEYXPHOWQT-UHFFFAOYSA-N 0 0 351.336 2.078 50 5 FEBARN O=C1[C@H](N2CCc3ccc(O)cc3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000072291837 541797619 /nfs/dbraw/zinc/79/76/19/541797619.db2.gz NPINPTISGAIIFF-GOSISDBHSA-N 0 0 353.378 2.464 50 5 FEBARN CS(=O)(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1F ZINC000012919564 220043164 /nfs/dbraw/zinc/04/31/64/220043164.db2.gz BORCSUIUMMIZQO-UHFFFAOYSA-N 0 0 359.360 2.419 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(Cc2ccco2)CC1 ZINC000012945836 220046479 /nfs/dbraw/zinc/04/64/79/220046479.db2.gz YFRAYXKKMMQCSD-UHFFFAOYSA-N 0 0 358.398 2.253 50 5 FEBARN CCN(Cc1cccs1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000014019294 220102516 /nfs/dbraw/zinc/10/25/16/220102516.db2.gz BKZDYQIJVCPXMX-UHFFFAOYSA-N 0 0 372.406 2.415 50 5 FEBARN O=C(OCCCOC(=O)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1 ZINC000018169682 220226591 /nfs/dbraw/zinc/22/65/91/220226591.db2.gz FVEHLKVZTUPTPZ-UHFFFAOYSA-N 0 0 354.227 2.093 50 5 FEBARN CCN(CC(=O)NCc1ccc(F)cc1)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000058165805 221101450 /nfs/dbraw/zinc/10/14/50/221101450.db2.gz LJEGJHLCEFUGNY-UHFFFAOYSA-N 0 0 363.393 2.143 50 5 FEBARN CNC(=O)c1ccn(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000058163582 221101801 /nfs/dbraw/zinc/10/18/01/221101801.db2.gz XYKIUKMICHYLHP-UHFFFAOYSA-N 0 0 365.349 2.392 50 5 FEBARN Cc1nn(C)c(N2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c1[N+](=O)[O-] ZINC000058166047 221101969 /nfs/dbraw/zinc/10/19/69/221101969.db2.gz KJMWOLWNLYVUGL-ZDUSSCGKSA-N 0 0 358.402 2.195 50 5 FEBARN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1ccnc(-n2ccnc2)c1 ZINC000058062957 221098390 /nfs/dbraw/zinc/09/83/90/221098390.db2.gz LPWVNFTVOYAXJN-UHFFFAOYSA-N 0 0 366.381 2.294 50 5 FEBARN CCOC(=O)C(=O)N(C(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])cc1C ZINC000065335485 221200908 /nfs/dbraw/zinc/20/09/08/221200908.db2.gz MBRHMRYIWIDTTM-UHFFFAOYSA-N 0 0 353.331 2.129 50 5 FEBARN O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000068467139 221315527 /nfs/dbraw/zinc/31/55/27/221315527.db2.gz RPNYLZKDRMJGSI-HFZWIWRYSA-N 0 0 357.410 2.362 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000004501239 132254757 /nfs/dbraw/zinc/25/47/57/132254757.db2.gz FOTXKMGAHVGUCY-UHFFFAOYSA-N 0 0 356.382 2.386 50 5 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FEBARN Cc1ccc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] ZINC000031540198 539909812 /nfs/dbraw/zinc/90/98/12/539909812.db2.gz DZVGOEOVADQOGF-UHFFFAOYSA-N 0 0 354.322 2.212 50 5 FEBARN C[C@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624740 539983755 /nfs/dbraw/zinc/98/37/55/539983755.db2.gz RCVDUDYYBPDSQT-GOEBONIOSA-N 0 0 367.471 2.480 50 5 FEBARN CC(C)C(=O)Nc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1 ZINC000040083068 540005602 /nfs/dbraw/zinc/00/56/02/540005602.db2.gz WNJIWWYCODDSHI-UHFFFAOYSA-N 0 0 357.370 2.295 50 5 FEBARN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1C ZINC000003274895 219496844 /nfs/dbraw/zinc/49/68/44/219496844.db2.gz JLLCQWCTCLEZPN-UHFFFAOYSA-N 0 0 364.310 2.349 50 5 FEBARN CCCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000004504714 219580572 /nfs/dbraw/zinc/58/05/72/219580572.db2.gz VOYPNZDMDXOOSC-AWEZNQCLSA-N 0 0 354.428 2.333 50 5 FEBARN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1[N+](=O)[O-] 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ZINC000009227046 539499931 /nfs/dbraw/zinc/49/99/31/539499931.db2.gz XFXAQLCOISKJBP-AWEZNQCLSA-N 0 0 371.328 2.029 50 5 FEBARN COc1ccc(OCCNC(=O)NCCNc2ccccc2[N+](=O)[O-])cc1 ZINC000009470681 539502824 /nfs/dbraw/zinc/50/28/24/539502824.db2.gz IINGHPWHHZLERT-UHFFFAOYSA-N 0 0 374.397 2.394 50 5 FEBARN Cc1nn(CCCC(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1[N+](=O)[O-] ZINC000012372196 539557147 /nfs/dbraw/zinc/55/71/47/539557147.db2.gz FHTGGAGINHHFAH-UHFFFAOYSA-N 0 0 354.348 2.192 50 5 FEBARN CCCCN(C)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O ZINC000012464985 539561106 /nfs/dbraw/zinc/56/11/06/539561106.db2.gz QCRJZKCDEVGEPX-QGZVFWFLSA-N 0 0 371.393 2.439 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NCc3ccccc3)n2)C[C@H](C)O1 ZINC000013768776 539591415 /nfs/dbraw/zinc/59/14/15/539591415.db2.gz OXJHGIMIGYOBKP-TXEJJXNPSA-N 0 0 358.402 2.193 50 5 FEBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCCCC1 ZINC000016739039 539636884 /nfs/dbraw/zinc/63/68/84/539636884.db2.gz 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C[C@@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000035624738 539983811 /nfs/dbraw/zinc/98/38/11/539983811.db2.gz RCVDUDYYBPDSQT-GDBMZVCRSA-N 0 0 367.471 2.480 50 5 FEBARN CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3c2cc([N+](=O)[O-])cc3C)N2CCC[C@H]12 ZINC000036044361 539985825 /nfs/dbraw/zinc/98/58/25/539985825.db2.gz NYPNDGMZDCMCRO-RVZJWNSFSA-N 0 0 359.382 2.098 50 5 FEBARN COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001793578 219418693 /nfs/dbraw/zinc/41/86/93/219418693.db2.gz ZHEODWWCHIFPSA-HNNXBMFYSA-N 0 0 363.370 2.097 50 5 FEBARN CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1C(N)=O)O[C@@H](C)C2 ZINC000040083054 540005809 /nfs/dbraw/zinc/00/58/09/540005809.db2.gz GJCDAWPOLIXBDT-JTQLQIEISA-N 0 0 372.381 2.423 50 5 FEBARN Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000040150519 540007919 /nfs/dbraw/zinc/00/79/19/540007919.db2.gz HKBJYRGGJWZNKI-UHFFFAOYSA-N 0 0 364.793 2.336 50 5 FEBARN COc1ccc(NC(=O)C[C@@H]2Nc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000003886810 219528506 /nfs/dbraw/zinc/52/85/06/219528506.db2.gz HCBSRZHTVDRUSR-AWEZNQCLSA-N 0 0 356.338 2.365 50 5 FEBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2ccccc2)C1=O ZINC000004307147 219563534 /nfs/dbraw/zinc/56/35/34/219563534.db2.gz QQYLPAONOXHRJD-SFHVURJKSA-N 0 0 355.350 2.441 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000052507903 540469991 /nfs/dbraw/zinc/46/99/91/540469991.db2.gz DIPUKPJVMBHDPP-NSHDSACASA-N 0 0 365.386 2.485 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1Nc2ccccc2NC1=O ZINC000005660432 219692334 /nfs/dbraw/zinc/69/23/34/219692334.db2.gz UAHVLUASEMORTO-CQSZACIVSA-N 0 0 356.338 2.365 50 5 FEBARN Cc1ccc(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)cc1[N+](=O)[O-] ZINC000006790606 219771069 /nfs/dbraw/zinc/77/10/69/219771069.db2.gz BGDFEWLXJTVKQU-UHFFFAOYSA-N 0 0 356.317 2.335 50 5 FEBARN COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])c2)c1 ZINC000012520483 220001491 /nfs/dbraw/zinc/00/14/91/220001491.db2.gz 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Cc1ccc2ncc(C(=O)N(C)Cc3cccc([N+](=O)[O-])c3)c(=O)n2c1 ZINC000025256328 220479142 /nfs/dbraw/zinc/47/91/42/220479142.db2.gz HWSZAJDYCNPZDE-UHFFFAOYSA-N 0 0 352.350 2.183 50 5 FEBARN O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1C[C@@H]1CCCO1 ZINC000038829114 220859000 /nfs/dbraw/zinc/85/90/00/220859000.db2.gz GRSHXDITRTXOPQ-HNNXBMFYSA-N 0 0 374.400 2.275 50 5 FEBARN CC[C@H](C)[C@@H](NCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C)C(=O)OC ZINC000058165243 221101885 /nfs/dbraw/zinc/10/18/85/221101885.db2.gz PHSSIMDRNWOPGQ-MGPLVRAMSA-N 0 0 367.402 2.028 50 5 FEBARN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nncn1C ZINC000170606132 132264359 /nfs/dbraw/zinc/26/43/59/132264359.db2.gz YYDTYVSWTYSVCP-CYBMUJFWSA-N 0 0 372.429 2.247 50 5 FEBARN NC(=O)c1ccc(N2CCC[C@H](c3nnc4ccccn43)C2)c([N+](=O)[O-])c1 ZINC000012549791 132860268 /nfs/dbraw/zinc/86/02/68/132860268.db2.gz MYBSDRWISPTTTA-ZDUSSCGKSA-N 0 0 366.381 2.120 50 5 FEBARN C[C@H]1Oc2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2N(C)C1=O ZINC000041014446 136120745 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COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)cc1 ZINC000170596272 546162618 /nfs/dbraw/zinc/16/26/18/546162618.db2.gz GJFLDZFKTBVUFE-UHFFFAOYSA-N 0 0 372.259 2.235 50 5 FEBARN CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2-n2ccnc2)C1 ZINC000252499033 549670201 /nfs/dbraw/zinc/67/02/01/549670201.db2.gz RUCAVBKUQJGLTH-CYBMUJFWSA-N 0 0 372.381 2.196 50 5 FEBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(C)(=O)=O ZINC000001147548 539339275 /nfs/dbraw/zinc/33/92/75/539339275.db2.gz LKCZCUXRQCDGKI-LBPRGKRZSA-N 0 0 363.395 2.388 50 5 FEBARN C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000004687380 539390253 /nfs/dbraw/zinc/39/02/53/539390253.db2.gz RIQBFDIAGASXHZ-SECBINFHSA-N 0 0 367.349 2.084 50 5 FEBARN COc1ccc(C)cc1NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000007950641 539472168 /nfs/dbraw/zinc/47/21/68/539472168.db2.gz LOIFTPSNOTZVLM-UHFFFAOYSA-N 0 0 371.349 2.276 50 5 FEBARN CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C(=O)NC1=S ZINC000008914526 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369.805 2.462 50 5 FEBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000017887207 539644665 /nfs/dbraw/zinc/64/46/65/539644665.db2.gz BUUAURMUAHPIRI-BETUJISGSA-N 0 0 371.459 2.239 50 5 FEBARN CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000024732905 539739031 /nfs/dbraw/zinc/73/90/31/539739031.db2.gz JAXUDEIBVFHGRP-ZDUSSCGKSA-N 0 0 350.371 2.084 50 5 FEBARN O=C(Nc1ccncc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000024703005 539739048 /nfs/dbraw/zinc/73/90/48/539739048.db2.gz GPVZIDBKXAETHJ-UHFFFAOYSA-N 0 0 354.366 2.481 50 5 FEBARN CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000024735577 539739265 /nfs/dbraw/zinc/73/92/65/539739265.db2.gz AAKBYLFVVHAAII-UHFFFAOYSA-N 0 0 357.244 2.316 50 5 FEBARN CN(CCOc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000028813974 539837566 /nfs/dbraw/zinc/83/75/66/539837566.db2.gz AYTSXFWZZHOZQX-UHFFFAOYSA-N 0 0 351.746 2.088 50 5 FEBARN Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Br ZINC000001005775 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FEBARN O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000003429110 204099835 /nfs/dbraw/zinc/09/98/35/204099835.db2.gz LBKFUWVENUNQRN-UHFFFAOYSA-N 0 0 365.367 2.225 50 5 FEBARN O=C(COC(=O)c1cccnc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000003434730 204100553 /nfs/dbraw/zinc/10/05/53/204100553.db2.gz FVMMHNOVAIJMHQ-UHFFFAOYSA-N 0 0 358.335 2.395 50 5 FEBARN CC(C)N1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4[C@@H]3N=NN4c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000004580495 204148509 /nfs/dbraw/zinc/14/85/09/204148509.db2.gz NHLGERWOCKZJIX-ZTYXSZCMSA-N 0 0 369.381 2.179 50 5 FEBARN Cc1cc(=O)n(C)c(=O)n1CCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000004866779 204170542 /nfs/dbraw/zinc/17/05/42/204170542.db2.gz KNBUMFWXUDRTSJ-UHFFFAOYSA-N 0 0 361.398 2.403 50 5 FEBARN O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1cc(Br)ccc1O ZINC000004873969 204171623 /nfs/dbraw/zinc/17/16/23/204171623.db2.gz OWQNOVHHHICCRX-UHFFFAOYSA-N 0 0 370.163 2.073 50 5 FEBARN Cc1cc(C(=O)CN2c3ccc([N+](=O)[O-])cc3C3(OCCO3)C2=O)c(C)o1 ZINC000005923296 204230824 /nfs/dbraw/zinc/23/08/24/204230824.db2.gz OYZMYCJPRHQPJZ-UHFFFAOYSA-N 0 0 372.333 2.234 50 5 FEBARN COC(=O)c1c2c(sc1NC(=O)c1n[nH]cc1[N+](=O)[O-])CCCC2 ZINC000006265871 204243351 /nfs/dbraw/zinc/24/33/51/204243351.db2.gz YMHRQCRWXHSTLI-UHFFFAOYSA-N 0 0 350.356 2.297 50 5 FEBARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])N1 ZINC000006394980 204246965 /nfs/dbraw/zinc/24/69/65/204246965.db2.gz KACKWDABUDXXJT-ZANVPECISA-N 0 0 361.276 2.221 50 5 FEBARN O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006598604 204255912 /nfs/dbraw/zinc/25/59/12/204255912.db2.gz USERLEQMTKZLRR-UHFFFAOYSA-N 0 0 368.301 2.497 50 5 FEBARN Cc1ccc2nc(COC(=O)COc3ccccc3[N+](=O)[O-])cc(=O)n2c1 ZINC000007338621 204295415 /nfs/dbraw/zinc/29/54/15/204295415.db2.gz PHCAZELVDQIALK-UHFFFAOYSA-N 0 0 369.333 2.033 50 5 FEBARN C[C@@H](C(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007398794 204296546 /nfs/dbraw/zinc/29/65/46/204296546.db2.gz NLCIKNIUKQJASV-NSHDSACASA-N 0 0 366.370 2.213 50 5 FEBARN COC(=O)c1cccc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000008943455 204350473 /nfs/dbraw/zinc/35/04/73/204350473.db2.gz XDPIUEHAQMSJKH-UHFFFAOYSA-N 0 0 358.306 2.405 50 5 FEBARN COc1ccc(S(=O)(=O)NCCOc2ccccc2F)cc1[N+](=O)[O-] ZINC000008748464 204343307 /nfs/dbraw/zinc/34/33/07/204343307.db2.gz VBMKJYUYFIMYSH-UHFFFAOYSA-N 0 0 370.358 2.100 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(OCCOCCSc2nc(C)cc(=O)[nH]2)c1 ZINC000008750550 204344034 /nfs/dbraw/zinc/34/40/34/204344034.db2.gz PYGYRUOVDXUFAZ-UHFFFAOYSA-N 0 0 365.411 2.483 50 5 FEBARN CNC(=O)c1cccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000025907717 204843864 /nfs/dbraw/zinc/84/38/64/204843864.db2.gz RXCQZKVFUWWBCF-UHFFFAOYSA-N 0 0 358.354 2.014 50 5 FEBARN O=c1ccc(-c2ccccc2)nn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000040158403 204896763 /nfs/dbraw/zinc/89/67/63/204896763.db2.gz MJRQNXJKTDMHIU-MRXNPFEDSA-N 0 0 367.361 2.258 50 5 FEBARN CNS(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000040106986 205055542 /nfs/dbraw/zinc/05/55/42/205055542.db2.gz WGXFXDKIHPPIEB-UHFFFAOYSA-N 0 0 355.397 2.125 50 5 FEBARN CS(=O)(=O)c1ccc(NCCCNc2ccccn2)c([N+](=O)[O-])c1 ZINC000040118726 205057015 /nfs/dbraw/zinc/05/70/15/205057015.db2.gz AVLYEFYSCCFLMQ-UHFFFAOYSA-N 0 0 350.400 2.307 50 5 FEBARN O=C(COCCOc1ccccc1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000045883319 205126246 /nfs/dbraw/zinc/12/62/46/205126246.db2.gz PJUXTVVSRKQUAL-UHFFFAOYSA-N 0 0 359.382 2.219 50 5 FEBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)COc3ccc(F)cc3)n2)cc1 ZINC000046060819 205131240 /nfs/dbraw/zinc/13/12/40/205131240.db2.gz CWSSCIWSZVUJBU-OAHLLOKOSA-N 0 0 358.329 2.432 50 5 FEBARN Cc1ccc2ncn(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)c(=O)c2c1 ZINC000051374207 205182107 /nfs/dbraw/zinc/18/21/07/205182107.db2.gz LPXZAQSSGSIIBQ-CQSZACIVSA-N 0 0 355.350 2.053 50 5 FEBARN CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C(c1ccccc1)c1ccccc1 ZINC000053834966 205196343 /nfs/dbraw/zinc/19/63/43/205196343.db2.gz QPAPQTALUQQKON-UHFFFAOYSA-N 0 0 351.366 2.434 50 5 FEBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(F)c1 ZINC000058123715 205251443 /nfs/dbraw/zinc/25/14/43/205251443.db2.gz YVDOVCNUNROTTC-UHFFFAOYSA-N 0 0 358.373 2.495 50 5 FEBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000058266069 205268922 /nfs/dbraw/zinc/26/89/22/205268922.db2.gz IGWDIJAUDFOABD-UHFFFAOYSA-N 0 0 370.365 2.290 50 5 FEBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000067826933 205394761 /nfs/dbraw/zinc/39/47/61/205394761.db2.gz APXGCCZLDRRAEJ-AGIUHOORSA-N 0 0 355.188 2.014 50 5 FEBARN NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000096997134 205891759 /nfs/dbraw/zinc/89/17/59/205891759.db2.gz HSWRWWHNFYRRLK-INIZCTEOSA-N 0 0 371.418 2.126 50 5 FEBARN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000005044570 206188401 /nfs/dbraw/zinc/18/84/01/206188401.db2.gz YTSZUYILWIECTG-LLVKDONJSA-N 0 0 372.333 2.185 50 5 FEBARN COc1ccc(OCC(=O)NC(=O)NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000007035441 206207312 /nfs/dbraw/zinc/20/73/12/206207312.db2.gz GBOGEYCBJOJTOD-UHFFFAOYSA-N 0 0 351.359 2.141 50 5 FEBARN CSc1ccccc1NC(=O)CN(C)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005898326 206199145 /nfs/dbraw/zinc/19/91/45/206199145.db2.gz FINHZBZHOGJFPI-UHFFFAOYSA-N 0 0 374.422 2.491 50 5 FEBARN O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 ZINC000006049251 206201357 /nfs/dbraw/zinc/20/13/57/206201357.db2.gz PJAZEOXBHWWFAB-UHFFFAOYSA-N 0 0 371.758 2.265 50 5 FEBARN NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000000869730 206224493 /nfs/dbraw/zinc/22/44/93/206224493.db2.gz RNLMYDNLAZWRER-UHFFFAOYSA-N 0 0 355.759 2.148 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCSc1ccc(Cl)cc1 ZINC000008945641 206221099 /nfs/dbraw/zinc/22/10/99/206221099.db2.gz XTVZGNLPGUCGCT-UHFFFAOYSA-N 0 0 367.814 2.318 50 5 FEBARN CS(=O)(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000013003017 206299341 /nfs/dbraw/zinc/29/93/41/206299341.db2.gz XMGVQBBNCSPXDY-UHFFFAOYSA-N 0 0 353.331 2.358 50 5 FEBARN COc1cccc(-n2ccn3c(-c4ccc([N+](=O)[O-])cc4)nnc3c2=O)c1 ZINC000016960709 206321557 /nfs/dbraw/zinc/32/15/57/206321557.db2.gz MBAIQPVFPISKIL-UHFFFAOYSA-N 0 0 363.333 2.464 50 5 FEBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1cc(F)ccc1F ZINC000054919794 206336830 /nfs/dbraw/zinc/33/68/30/206336830.db2.gz ZLPNFJOOUHGPMI-UHFFFAOYSA-N 0 0 361.102 2.471 50 5 FEBARN CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=S)N1C ZINC000021187198 206352555 /nfs/dbraw/zinc/35/25/55/206352555.db2.gz FPSLJCCLNGHKPE-CYBMUJFWSA-N 0 0 368.846 2.471 50 5 FEBARN CCNC(=O)COC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000032910539 206514729 /nfs/dbraw/zinc/51/47/29/206514729.db2.gz KQFVRFHPKQELMB-QMMMGPOBSA-N 0 0 363.292 2.093 50 5 FEBARN Cc1cc(N2CCN(c3ccccc3)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000004331253 132254587 /nfs/dbraw/zinc/25/45/87/132254587.db2.gz ZDYHPVSAEKGSOS-UHFFFAOYSA-N 0 0 365.397 2.206 50 5 FEBARN O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004045944 132386206 /nfs/dbraw/zinc/38/62/06/132386206.db2.gz PZAADSYODXCXHB-UHFFFAOYSA-N 0 0 355.350 2.286 50 5 FEBARN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000004092197 132386471 /nfs/dbraw/zinc/38/64/71/132386471.db2.gz GJBDQJCKYVOREE-UHFFFAOYSA-N 0 0 361.423 2.247 50 5 FEBARN O=C([C@H]1CCCO1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000006831737 132836505 /nfs/dbraw/zinc/83/65/05/132836505.db2.gz UNOMCBSRFPPDLU-CQSZACIVSA-N 0 0 373.331 2.441 50 5 FEBARN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)cc1 ZINC000037520965 132942727 /nfs/dbraw/zinc/94/27/27/132942727.db2.gz WOERLIRRTONVCT-CYBMUJFWSA-N 0 0 369.377 2.481 50 5 FEBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000057884728 136130357 /nfs/dbraw/zinc/13/03/57/136130357.db2.gz ULSUJKBQYVIQSM-CQSZACIVSA-N 0 0 370.409 2.450 50 5 FEBARN CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2cccnc2)CC1 ZINC000241965673 548885543 /nfs/dbraw/zinc/88/55/43/548885543.db2.gz UUXVZAUQZYFYBP-UHFFFAOYSA-N 0 0 370.409 2.347 50 5 FEBARN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC000045939465 570914794 /nfs/dbraw/zinc/91/47/94/570914794.db2.gz QCFFKXBHGZFQAT-ZWNOBZJWSA-N 0 0 359.304 2.146 50 5 FEBARN CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000996676 539337223 /nfs/dbraw/zinc/33/72/23/539337223.db2.gz VAQKXKAOAUVDPH-ZDUSSCGKSA-N 0 0 372.333 2.114 50 5 FEBARN CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1 ZINC000005012056 539399213 /nfs/dbraw/zinc/39/92/13/539399213.db2.gz XNHNIBYFOWSTQS-WJDWOHSUSA-N 0 0 355.350 2.120 50 5 FEBARN CC(=O)Nc1cccc(-n2nnnc2Sc2ncccc2[N+](=O)[O-])c1 ZINC000012538543 539563251 /nfs/dbraw/zinc/56/32/51/539563251.db2.gz XHCNXSLFDXOUTK-UHFFFAOYSA-N 0 0 357.355 2.075 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])C1 ZINC000012551543 539564869 /nfs/dbraw/zinc/56/48/69/539564869.db2.gz KNNUDEKFSDVUQK-MPZDIEGVSA-N 0 0 364.450 2.063 50 5 FEBARN CCCCCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000012760274 539572893 /nfs/dbraw/zinc/57/28/93/539572893.db2.gz KTYTYYFGOQEUTB-UHFFFAOYSA-N 0 0 357.432 2.107 50 5 FEBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cn1c2ccccc2n(C)c1=O ZINC000012778192 539574157 /nfs/dbraw/zinc/57/41/57/539574157.db2.gz QKSMGKBBEYZSPB-ZDUSSCGKSA-N 0 0 368.393 2.468 50 5 FEBARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000015592478 539620355 /nfs/dbraw/zinc/62/03/55/539620355.db2.gz YFAQJNGAFAMCIK-RYUDHWBXSA-N 0 0 363.345 2.238 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000018244140 539649112 /nfs/dbraw/zinc/64/91/12/539649112.db2.gz WYIXLIDPMAPGLL-ZIAGYGMSSA-N 0 0 357.366 2.183 50 5 FEBARN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1N2CC3(C)CN1CC(C)(C2)C3O ZINC000019331087 539655504 /nfs/dbraw/zinc/65/55/04/539655504.db2.gz LYZFKYMJITVUSZ-UHFFFAOYSA-N 0 0 356.426 2.401 50 5 FEBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019827985 539670144 /nfs/dbraw/zinc/67/01/44/539670144.db2.gz HDQCGPDWVNKRKN-UHFFFAOYSA-N 0 0 369.377 2.282 50 5 FEBARN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1ccc(Br)cc1 ZINC000020031427 539671549 /nfs/dbraw/zinc/67/15/49/539671549.db2.gz CKEMJXYQWWJVOV-UHFFFAOYSA-N 0 0 373.188 2.058 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(O)cc2)CC1 ZINC000022756931 539699068 /nfs/dbraw/zinc/69/90/68/539699068.db2.gz HTWRWEYDUCFPNX-UHFFFAOYSA-N 0 0 357.366 2.414 50 5 FEBARN O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1cccc(F)c1 ZINC000023291498 539711672 /nfs/dbraw/zinc/71/16/72/539711672.db2.gz YFMLXPUPDQCSDM-UHFFFAOYSA-N 0 0 362.269 2.258 50 5 FEBARN COc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000024882225 539743872 /nfs/dbraw/zinc/74/38/72/539743872.db2.gz YYHOFTKWBFVLGI-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000025326325 539756132 /nfs/dbraw/zinc/75/61/32/539756132.db2.gz WFNWPBIROSMKGV-LLVKDONJSA-N 0 0 351.384 2.053 50 5 FEBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NS(C)(=O)=O ZINC000029967729 539870531 /nfs/dbraw/zinc/87/05/31/539870531.db2.gz LKSHXMUIJWANST-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc[n+]([O-])c1 ZINC000032748092 539950986 /nfs/dbraw/zinc/95/09/86/539950986.db2.gz GOFNPULDMSQDMX-UHFFFAOYSA-N 0 0 370.287 2.089 50 5 FEBARN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000033118261 539968651 /nfs/dbraw/zinc/96/86/51/539968651.db2.gz ICSUVIJVASIBLB-LLVKDONJSA-N 0 0 355.350 2.346 50 5 FEBARN Cc1nnc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)s1 ZINC000010187979 204001449 /nfs/dbraw/zinc/00/14/49/204001449.db2.gz NFEJALXMLODDCP-UHFFFAOYSA-N 0 0 371.378 2.217 50 5 FEBARN CC(=O)Oc1cc(COC(=O)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000002051715 204025410 /nfs/dbraw/zinc/02/54/10/204025410.db2.gz ZXGVIDZJKJZKMX-UHFFFAOYSA-N 0 0 368.342 2.088 50 5 FEBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003066892 204077494 /nfs/dbraw/zinc/07/74/94/204077494.db2.gz WNBFLDDGYVKBIK-CQSZACIVSA-N 0 0 361.379 2.418 50 5 FEBARN COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1O ZINC000003262704 204086356 /nfs/dbraw/zinc/08/63/56/204086356.db2.gz UALOHZQEIJIKES-SNVBAGLBSA-N 0 0 360.322 2.493 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCc1cccc(Cl)c1 ZINC000004412035 204138915 /nfs/dbraw/zinc/13/89/15/204138915.db2.gz KIRGMJAPBZBMSJ-UHFFFAOYSA-N 0 0 372.768 2.275 50 5 FEBARN Cc1cc(=O)n(C)c(=O)n1CCCCCCOc1cccc([N+](=O)[O-])c1 ZINC000004866783 204170788 /nfs/dbraw/zinc/17/07/88/204170788.db2.gz ATPFQFKBCBYFHC-UHFFFAOYSA-N 0 0 361.398 2.403 50 5 FEBARN O=C1C[C@H](N2CCc3ccccc3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000004888984 204172596 /nfs/dbraw/zinc/17/25/96/204172596.db2.gz JMVOUXPVDVVIIO-KRWDZBQOSA-N 0 0 351.362 2.285 50 5 FEBARN Cc1ccc(O[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1 ZINC000004891981 204173036 /nfs/dbraw/zinc/17/30/36/204173036.db2.gz PNLAVEAWMLRWCT-NSHDSACASA-N 0 0 359.338 2.111 50 5 FEBARN Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000004986164 204182978 /nfs/dbraw/zinc/18/29/78/204182978.db2.gz WZEZHOUVHPYREJ-UHFFFAOYSA-N 0 0 361.427 2.495 50 5 FEBARN COc1ccc(CC(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000006230356 204241951 /nfs/dbraw/zinc/24/19/51/204241951.db2.gz YPSCQQSRBZXJHZ-UHFFFAOYSA-N 0 0 362.313 2.467 50 5 FEBARN CC(=O)Nc1ccc2nc3c(nc2c1)[nH]c(=O)n(C1CCCCCC1)c3=O ZINC000006733143 204265128 /nfs/dbraw/zinc/26/51/28/204265128.db2.gz XMULKLGSMJRLKI-UHFFFAOYSA-N 0 0 367.409 2.487 50 5 FEBARN C[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000006755091 204267279 /nfs/dbraw/zinc/26/72/79/204267279.db2.gz MLOPBCYOXLAHKU-LLVKDONJSA-N 0 0 354.318 2.227 50 5 FEBARN CC(=O)Nc1cccc(C(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 ZINC000009316404 204361762 /nfs/dbraw/zinc/36/17/62/204361762.db2.gz BJIAPMOUHICJAV-UHFFFAOYSA-N 0 0 357.322 2.009 50 5 FEBARN COc1cc(C(=O)NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])cc1OC ZINC000009384888 204365502 /nfs/dbraw/zinc/36/55/02/204365502.db2.gz LFDFNFCUGRCRBG-NSHDSACASA-N 0 0 374.349 2.182 50 5 FEBARN O=C(CSc1[nH]c(=O)nc2c1CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000010257355 204392708 /nfs/dbraw/zinc/39/27/08/204392708.db2.gz ZQVOBOVAJFODHQ-UHFFFAOYSA-N 0 0 360.395 2.288 50 5 FEBARN C[C@H](O)CNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000012633549 204484151 /nfs/dbraw/zinc/48/41/51/204484151.db2.gz MHUBODOCKXZYFW-UPJWGTAASA-N 0 0 371.459 2.054 50 5 FEBARN Cc1nc(C)c(CCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000012767341 204493190 /nfs/dbraw/zinc/49/31/90/204493190.db2.gz AXMWRTVLBZIZRR-LBPRGKRZSA-N 0 0 358.398 2.447 50 5 FEBARN CC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000020310145 204720490 /nfs/dbraw/zinc/72/04/90/204720490.db2.gz JWWGUOXGAIKXCE-UHFFFAOYSA-N 0 0 365.323 2.294 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC1CCOCC1 ZINC000084350793 205122637 /nfs/dbraw/zinc/12/26/37/205122637.db2.gz CIEOVJMHXIPJMW-UHFFFAOYSA-N 0 0 354.306 2.479 50 5 FEBARN O=C(COCCOc1ccccc1)NCCNc1ccccc1[N+](=O)[O-] ZINC000045875790 205126535 /nfs/dbraw/zinc/12/65/35/205126535.db2.gz FLAIMBVSGNHDMO-UHFFFAOYSA-N 0 0 359.382 2.219 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000046812349 205139779 /nfs/dbraw/zinc/13/97/79/205139779.db2.gz MRFKRSXMIDLDGF-OLZOCXBDSA-N 0 0 372.468 2.270 50 5 FEBARN O=[N+]([O-])c1ccc(F)cc1CN(C1CC1)S(=O)(=O)c1cccnc1 ZINC000058263984 205266479 /nfs/dbraw/zinc/26/64/79/205266479.db2.gz ZZHUKOXPBYCTOY-UHFFFAOYSA-N 0 0 351.359 2.482 50 5 FEBARN CN(CCc1ccncc1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058023099 205246890 /nfs/dbraw/zinc/24/68/90/205246890.db2.gz GIECERZWNCIADP-UHFFFAOYSA-N 0 0 351.366 2.490 50 5 FEBARN CN(C)/C=C(\C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000067172829 205366423 /nfs/dbraw/zinc/36/64/23/205366423.db2.gz XDOPRTGATSAUSH-JLHYYAGUSA-N 0 0 356.400 2.113 50 5 FEBARN O=[N+]([O-])c1cc(OCC(F)(F)C(F)F)cc(SC[C@H](O)CO)c1 ZINC000001051199 206144969 /nfs/dbraw/zinc/14/49/69/206144969.db2.gz CPKNLKQXEVTRNF-MRVPVSSYSA-N 0 0 359.297 2.319 50 5 FEBARN COc1cccc(N2C[C@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000004497123 206178821 /nfs/dbraw/zinc/17/88/21/206178821.db2.gz HQZOCQYZQKWLPI-CQSZACIVSA-N 0 0 369.377 2.068 50 5 FEBARN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1[N+](=O)[O-] ZINC000005605635 206196822 /nfs/dbraw/zinc/19/68/22/206196822.db2.gz ZXLZBBBFZSQLCV-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cccc(O)c1 ZINC000005754712 206197963 /nfs/dbraw/zinc/19/79/63/206197963.db2.gz ISWSCCDMKQZSKU-JTQLQIEISA-N 0 0 360.322 2.493 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1 ZINC000005754716 206198184 /nfs/dbraw/zinc/19/81/84/206198184.db2.gz ISWSCCDMKQZSKU-SNVBAGLBSA-N 0 0 360.322 2.493 50 5 FEBARN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000006221680 206200439 /nfs/dbraw/zinc/20/04/39/206200439.db2.gz ISQQPPSIPBHYAM-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005020737 206239555 /nfs/dbraw/zinc/23/95/55/206239555.db2.gz YRORMBPBJMUPSY-UHFFFAOYSA-N 0 0 369.786 2.456 50 5 FEBARN CCc1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n[nH]c1-c1ccncc1 ZINC000058153602 206392090 /nfs/dbraw/zinc/39/20/90/206392090.db2.gz UDMNCTWYJWNHSN-UHFFFAOYSA-N 0 0 369.385 2.394 50 5 FEBARN O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000030493601 206500839 /nfs/dbraw/zinc/50/08/39/206500839.db2.gz KRODSKQRUVRPOS-UHFFFAOYSA-N 0 0 362.363 2.489 50 5 FEBARN NS(=O)(=O)c1cc(NCCc2c[nH]c3ccccc23)cc([N+](=O)[O-])c1 ZINC000077291302 542362765 /nfs/dbraw/zinc/36/27/65/542362765.db2.gz SUMBJMLCACLWSA-UHFFFAOYSA-N 0 0 360.395 2.378 50 5 FEBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000058417882 221118479 /nfs/dbraw/zinc/11/84/79/221118479.db2.gz NYDJSBQXKNJXGV-RHSMWYFYSA-N 0 0 363.439 2.397 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000753285 132378253 /nfs/dbraw/zinc/37/82/53/132378253.db2.gz WFQQSFXWRANJRC-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004043679 132386195 /nfs/dbraw/zinc/38/61/95/132386195.db2.gz SYVCJFNSTBNTRR-UHFFFAOYSA-N 0 0 361.423 2.414 50 5 FEBARN CN(C)c1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000004306264 132386730 /nfs/dbraw/zinc/38/67/30/132386730.db2.gz OEGVYVRJDHPJJT-UHFFFAOYSA-N 0 0 356.430 2.492 50 5 FEBARN CCCCNC(=O)c1ccc(N2CCC3(CC2)OCCO3)c([N+](=O)[O-])c1 ZINC000004660437 132823739 /nfs/dbraw/zinc/82/37/39/132823739.db2.gz QMOVOKGOQUSZGX-UHFFFAOYSA-N 0 0 363.414 2.468 50 5 FEBARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)O[C@H](C)C1 ZINC000015173733 132876872 /nfs/dbraw/zinc/87/68/72/132876872.db2.gz HDQQCGOTXLEQLS-CHWSQXEVSA-N 0 0 371.459 2.239 50 5 FEBARN CCc1nn(C)c(N2CCCN(C(=O)c3ccsc3)CC2)c1[N+](=O)[O-] ZINC000092829006 542889845 /nfs/dbraw/zinc/88/98/45/542889845.db2.gz CJIULIKJQHUSQN-UHFFFAOYSA-N 0 0 363.443 2.305 50 5 FEBARN CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])c(N)n1)O[C@H](C)C2 ZINC000096003927 542986899 /nfs/dbraw/zinc/98/68/99/542986899.db2.gz UYLZTOSXQRAJTA-SNVBAGLBSA-N 0 0 372.381 2.224 50 5 FEBARN CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N ZINC000100318729 543024972 /nfs/dbraw/zinc/02/49/72/543024972.db2.gz FCFRRERPZXNRCF-UHFFFAOYSA-N 0 0 374.400 2.354 50 5 FEBARN CCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccc(C)cn1c2=O ZINC000100810674 543026035 /nfs/dbraw/zinc/02/60/35/543026035.db2.gz QAYCRBMPDVDECV-UHFFFAOYSA-N 0 0 365.437 2.129 50 5 FEBARN CC(C)(C)C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004841356 534466236 /nfs/dbraw/zinc/46/62/36/534466236.db2.gz PZAWTHADZCOOLE-UHFFFAOYSA-N 0 0 350.444 2.164 50 5 FEBARN O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)c2ccccc21 ZINC000240786077 527055928 /nfs/dbraw/zinc/05/59/28/527055928.db2.gz IACUOUOLJFTHNK-FXAWDEMLSA-N 0 0 363.373 2.328 50 5 FEBARN COCCNc1ccc(C(=O)NC[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] ZINC000225429825 548734127 /nfs/dbraw/zinc/73/41/27/548734127.db2.gz OJQWMUHXRMPESM-ZDUSSCGKSA-N 0 0 353.419 2.038 50 5 FEBARN O=C(NCCCc1nnc[nH]1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000225524636 548736653 /nfs/dbraw/zinc/73/66/53/548736653.db2.gz YMLCZRJJJLWUAQ-UHFFFAOYSA-N 0 0 369.179 2.230 50 5 FEBARN COc1ccc(-n2ccn3c(-c4ccc([N+](=O)[O-])cc4)nnc3c2=O)cc1 ZINC000225534378 548737918 /nfs/dbraw/zinc/73/79/18/548737918.db2.gz GLSBUHMJKCKVHP-UHFFFAOYSA-N 0 0 363.333 2.464 50 5 FEBARN Cn1c2c3nnc4ccccc4n3c(-c3ccccc3)c2c(=O)n(C)c1=O ZINC000000780193 539333353 /nfs/dbraw/zinc/33/33/53/539333353.db2.gz YTTGCGVNHBTUEZ-UHFFFAOYSA-N 0 0 357.373 2.100 50 5 FEBARN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O ZINC000005977884 539419384 /nfs/dbraw/zinc/41/93/84/539419384.db2.gz VSKWXCOQDJMLFG-UHFFFAOYSA-N 0 0 374.397 2.424 50 5 FEBARN O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000009117987 539497944 /nfs/dbraw/zinc/49/79/44/539497944.db2.gz RPTRTEKOKRWOLF-UHFFFAOYSA-N 0 0 369.377 2.328 50 5 FEBARN CCn1nccc1[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015836558 539624021 /nfs/dbraw/zinc/62/40/21/539624021.db2.gz IOQYPLRNHNZWJP-OAHLLOKOSA-N 0 0 350.400 2.337 50 5 FEBARN CCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000016752993 539636514 /nfs/dbraw/zinc/63/65/14/539636514.db2.gz YUQZZUZYMNVUTB-UHFFFAOYSA-N 0 0 370.774 2.084 50 5 FEBARN CCOC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000016685019 539635897 /nfs/dbraw/zinc/63/58/97/539635897.db2.gz BFRCNYOZGYSICN-GFCCVEGCSA-N 0 0 350.371 2.236 50 5 FEBARN C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000018941114 539649784 /nfs/dbraw/zinc/64/97/84/539649784.db2.gz JEBHTEWAVQDDAU-NSHDSACASA-N 0 0 364.379 2.406 50 5 FEBARN O=C(NCc1ccccc1CN1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000023955824 539722561 /nfs/dbraw/zinc/72/25/61/539722561.db2.gz BIHYJSLXHGWGHX-UHFFFAOYSA-N 0 0 355.394 2.357 50 5 FEBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000024178045 539727491 /nfs/dbraw/zinc/72/74/91/539727491.db2.gz IFWWEEMLHXRHSY-UHFFFAOYSA-N 0 0 367.405 2.488 50 5 FEBARN Cc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1 ZINC000024507873 539733485 /nfs/dbraw/zinc/73/34/85/539733485.db2.gz CRQLAPYNRUPDPS-UHFFFAOYSA-N 0 0 358.350 2.347 50 5 FEBARN COc1ccc(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000024772147 539740494 /nfs/dbraw/zinc/74/04/94/539740494.db2.gz WEQSXZIHHQLDPC-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN O=C(NCc1cccnc1)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000030655143 539888601 /nfs/dbraw/zinc/88/86/01/539888601.db2.gz UHVOSGVIVURYDV-UHFFFAOYSA-N 0 0 368.393 2.158 50 5 FEBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000032469457 539941060 /nfs/dbraw/zinc/94/10/60/539941060.db2.gz JRYNGFONEUXUOT-JTQLQIEISA-N 0 0 360.819 2.438 50 5 FEBARN CC(=O)NCCN[C@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000033039564 539964534 /nfs/dbraw/zinc/96/45/34/539964534.db2.gz FTVXCVWYEIOONB-SFHVURJKSA-N 0 0 370.409 2.309 50 5 FEBARN O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000033662154 539975493 /nfs/dbraw/zinc/97/54/93/539975493.db2.gz NSRYPPXQPYMDCG-UHFFFAOYSA-N 0 0 370.361 2.471 50 5 FEBARN Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000058421714 540842736 /nfs/dbraw/zinc/84/27/36/540842736.db2.gz HJJMZYCFTKCOTH-HNNXBMFYSA-N 0 0 369.377 2.361 50 5 FEBARN C[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(=O)NC1CCCC1 ZINC000068228263 541566358 /nfs/dbraw/zinc/56/63/58/541566358.db2.gz AMRZYEKBGCAEEB-GFCCVEGCSA-N 0 0 358.398 2.113 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000893010 203961298 /nfs/dbraw/zinc/96/12/98/203961298.db2.gz BNJUXNDVUCIFNF-UHFFFAOYSA-N 0 0 357.341 2.332 50 5 FEBARN COc1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(C)=O)cc1 ZINC000000853043 203957498 /nfs/dbraw/zinc/95/74/98/203957498.db2.gz BPFBIDSPKMXUAO-UHFFFAOYSA-N 0 0 369.333 2.210 50 5 FEBARN COC(=O)c1c2c(sc1NC(=O)[C@H](C)n1cc([N+](=O)[O-])cn1)CCC2 ZINC000001421990 204005414 /nfs/dbraw/zinc/00/54/14/204005414.db2.gz UPUDBOFNQAVGIS-QMMMGPOBSA-N 0 0 364.383 2.328 50 5 FEBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCc1ccc(Cl)cc1 ZINC000002622449 204045950 /nfs/dbraw/zinc/04/59/50/204045950.db2.gz XHISYPMGPLCLAF-UHFFFAOYSA-N 0 0 372.768 2.275 50 5 FEBARN O=c1c(Cl)c(Cl)cnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000002655990 204050166 /nfs/dbraw/zinc/05/01/66/204050166.db2.gz UZLBTSCZOXIKQS-UHFFFAOYSA-N 0 0 358.137 2.373 50 5 FEBARN COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000002785541 204057231 /nfs/dbraw/zinc/05/72/31/204057231.db2.gz FSYUAWVXBQDNNR-NEPJUHHUSA-N 0 0 362.386 2.322 50 5 FEBARN COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(C)c1[N+](=O)[O-] ZINC000003909529 204115943 /nfs/dbraw/zinc/11/59/43/204115943.db2.gz HTEFETLNCICLBF-UHFFFAOYSA-N 0 0 350.356 2.144 50 5 FEBARN CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1=O ZINC000004308349 204131786 /nfs/dbraw/zinc/13/17/86/204131786.db2.gz XLMGQTGZORGSAN-UHFFFAOYSA-N 0 0 362.386 2.261 50 5 FEBARN O=C(COC(=O)c1n[nH]c2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005360822 204205108 /nfs/dbraw/zinc/20/51/08/204205108.db2.gz SXUICZBTIZAMMK-UHFFFAOYSA-N 0 0 358.285 2.406 50 5 FEBARN Cc1cc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)no1 ZINC000005270802 204200691 /nfs/dbraw/zinc/20/06/91/204200691.db2.gz YXTIDPVLGCBPQA-UHFFFAOYSA-N 0 0 354.322 2.354 50 5 FEBARN Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c([N+](=O)[O-])c1 ZINC000008658517 204337779 /nfs/dbraw/zinc/33/77/79/204337779.db2.gz DXKRJSSVBZGQBH-UHFFFAOYSA-N 0 0 374.397 2.342 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000009498365 204370677 /nfs/dbraw/zinc/37/06/77/204370677.db2.gz ZTJMYINQVJLZBD-ZDUSSCGKSA-N 0 0 358.350 2.238 50 5 FEBARN O=[N+]([O-])c1ccc(NC(=S)NCCc2nnc3n2CCCCC3)cc1 ZINC000010841256 204402285 /nfs/dbraw/zinc/40/22/85/204402285.db2.gz YYWCCLGVZJZQCU-UHFFFAOYSA-N 0 0 360.443 2.442 50 5 FEBARN CCOC(=O)C1(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000040135498 205059284 /nfs/dbraw/zinc/05/92/84/205059284.db2.gz DRCLSRWKTANIQG-UHFFFAOYSA-N 0 0 370.427 2.448 50 5 FEBARN CN(C[C@H](O)COc1ccccc1C(F)(F)F)c1c([N+](=O)[O-])ncn1C ZINC000053583741 205195337 /nfs/dbraw/zinc/19/53/37/205195337.db2.gz BYWMIWQHMZYYSC-JTQLQIEISA-N 0 0 374.319 2.223 50 5 FEBARN COC(=O)c1cccc(OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000060086329 205283761 /nfs/dbraw/zinc/28/37/61/205283761.db2.gz WXUHAAVHUYUNOG-UHFFFAOYSA-N 0 0 370.317 2.056 50 5 FEBARN O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000067826935 205394909 /nfs/dbraw/zinc/39/49/09/205394909.db2.gz APXGCCZLDRRAEJ-FRRDWIJNSA-N 0 0 355.188 2.014 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCCCN3C[C@H]2C)c1C ZINC000108081945 206028055 /nfs/dbraw/zinc/02/80/55/206028055.db2.gz GABPDSDHKCOFNM-UKRRQHHQSA-N 0 0 367.471 2.459 50 5 FEBARN C[C@]1(c2ccccc2)NC(=O)N(CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000047347162 206079299 /nfs/dbraw/zinc/07/92/99/206079299.db2.gz XJAVMEPZXKICTL-GOSISDBHSA-N 0 0 355.350 2.441 50 5 FEBARN Cc1cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000004248381 206173011 /nfs/dbraw/zinc/17/30/11/206173011.db2.gz IZKDCHJSGDRDNV-UHFFFAOYSA-N 0 0 353.674 2.372 50 5 FEBARN O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)NCc1ccccc1 ZINC000005400853 206192368 /nfs/dbraw/zinc/19/23/68/206192368.db2.gz ABDJNTTUXGKRRC-UHFFFAOYSA-N 0 0 364.361 2.135 50 5 FEBARN COc1cccc(N2C[C@H](NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000004497103 206178778 /nfs/dbraw/zinc/17/87/78/206178778.db2.gz GQAHDPHAPNBALE-CQSZACIVSA-N 0 0 369.377 2.447 50 5 FEBARN CNC(=O)c1ccc(CN(C)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000052584122 206222256 /nfs/dbraw/zinc/22/22/56/206222256.db2.gz FKINEWJEKZZMFA-UHFFFAOYSA-N 0 0 353.382 2.394 50 5 FEBARN Cc1ccccc1Nc1nc(N)nc(COc2cccnc2[N+](=O)[O-])n1 ZINC000008164864 206213403 /nfs/dbraw/zinc/21/34/03/206213403.db2.gz VNDZZMJEFPBOQU-UHFFFAOYSA-N 0 0 353.342 2.388 50 5 FEBARN COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccc(C)cc2)C(=O)NC[C@@H]1c1ccco1 ZINC000012437194 206289917 /nfs/dbraw/zinc/28/99/17/206289917.db2.gz YWSUKQJIAHDNEA-ZRGWGRIASA-N 0 0 372.377 2.021 50 5 FEBARN Cc1cc(C)n(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000015167783 206314830 /nfs/dbraw/zinc/31/48/30/206314830.db2.gz YUQPGGTZJBTKTE-UHFFFAOYSA-N 0 0 352.416 2.314 50 5 FEBARN COc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1[N+](=O)[O-] ZINC000053842066 206317009 /nfs/dbraw/zinc/31/70/09/206317009.db2.gz WTQHXRNQAAUXSO-UHFFFAOYSA-N 0 0 367.365 2.173 50 5 FEBARN Cc1ccc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000018707270 206324566 /nfs/dbraw/zinc/32/45/66/206324566.db2.gz ILQRWQVTNDDELN-UHFFFAOYSA-N 0 0 352.328 2.194 50 5 FEBARN NC(=O)c1ccc(Nc2cccc(Cn3cccnc3=O)c2)c([N+](=O)[O-])c1 ZINC000058421068 221117998 /nfs/dbraw/zinc/11/79/98/221117998.db2.gz NBGJQMIWMWLTPE-UHFFFAOYSA-N 0 0 365.349 2.042 50 5 FEBARN O=c1[nH]cnc2cc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])cc12 ZINC000009220946 132845028 /nfs/dbraw/zinc/84/50/28/132845028.db2.gz ZVQUGLNQFLDQTH-UHFFFAOYSA-N 0 0 351.366 2.158 50 5 FEBARN O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000052537751 136124490 /nfs/dbraw/zinc/12/44/90/136124490.db2.gz UIGQULHEZSBRLQ-UHFFFAOYSA-N 0 0 358.373 2.495 50 5 FEBARN C[C@H](C(=O)Nc1nccs1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844668 136124527 /nfs/dbraw/zinc/12/45/27/136124527.db2.gz KYOIEWJEMDGXSO-GFCCVEGCSA-N 0 0 361.427 2.201 50 5 FEBARN CCNC(=O)[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057350774 136128531 /nfs/dbraw/zinc/12/85/31/136128531.db2.gz VNVACGAYEZCUDJ-LLVKDONJSA-N 0 0 374.363 2.260 50 5 FEBARN Cc1nc2ccccc2n(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000097143662 543005647 /nfs/dbraw/zinc/00/56/47/543005647.db2.gz HGEQZXYRFOCYFW-UHFFFAOYSA-N 0 0 367.365 2.435 50 5 FEBARN Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)C3=C2O)cc1 ZINC000100873439 543025871 /nfs/dbraw/zinc/02/58/71/543025871.db2.gz FAGLVIMPTPTPBH-ZBFHGGJFSA-N 0 0 351.318 2.196 50 5 FEBARN C[C@@H](OC(=O)CCCCC(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225841217 548744082 /nfs/dbraw/zinc/74/40/82/548744082.db2.gz DJQLZCIIIIGVFT-SNVBAGLBSA-N 0 0 362.342 2.295 50 5 FEBARN COc1c2oc(C(=O)N3CCN(C)CC3)c(C)c2cc([N+](=O)[O-])c1OC ZINC000000754152 539333512 /nfs/dbraw/zinc/33/35/12/539333512.db2.gz WQFGCUVQARICPQ-UHFFFAOYSA-N 0 0 363.370 2.054 50 5 FEBARN COc1cc(C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC ZINC000001183283 539340060 /nfs/dbraw/zinc/34/00/60/539340060.db2.gz KHESPRKLPNYKOW-UHFFFAOYSA-N 0 0 360.322 2.271 50 5 FEBARN C[C@H]1CN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000005195326 539404787 /nfs/dbraw/zinc/40/47/87/539404787.db2.gz IJUGDVGBYOSIRX-STQMWFEESA-N 0 0 372.429 2.235 50 5 FEBARN Cc1cc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000014220804 539600229 /nfs/dbraw/zinc/60/02/29/539600229.db2.gz FNKWMQYMISYJHC-ZDUSSCGKSA-N 0 0 359.386 2.040 50 5 FEBARN Cc1nc2ccccc2n1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000015135747 539612677 /nfs/dbraw/zinc/61/26/77/539612677.db2.gz KJKZNKHWRSQMHG-UHFFFAOYSA-N 0 0 354.366 2.448 50 5 FEBARN CCOC(=O)CCCNC(=O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016695262 539635737 /nfs/dbraw/zinc/63/57/37/539635737.db2.gz GVFAQLGQAPQYLW-CYBMUJFWSA-N 0 0 351.403 2.047 50 5 FEBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc2ccccn21 ZINC000024333139 539729430 /nfs/dbraw/zinc/72/94/30/539729430.db2.gz YFAVYULYXXTSLP-UHFFFAOYSA-N 0 0 368.397 2.414 50 5 FEBARN COC(=O)c1ccc2c(c1)CCN2C(=O)COc1ccccc1[N+](=O)[O-] ZINC000025177934 539750035 /nfs/dbraw/zinc/75/00/35/539750035.db2.gz USHQPBKKQPPKNL-UHFFFAOYSA-N 0 0 356.334 2.350 50 5 FEBARN CCCN(C(=O)CC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025667977 539765904 /nfs/dbraw/zinc/76/59/04/539765904.db2.gz NWOYQZLHTIBECF-UHFFFAOYSA-N 0 0 359.360 2.060 50 5 FEBARN COC(=O)C1(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000033164694 539970553 /nfs/dbraw/zinc/97/05/53/539970553.db2.gz OOLNDVHEYPQCKT-UHFFFAOYSA-N 0 0 372.381 2.386 50 5 FEBARN O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 ZINC000051183652 540426013 /nfs/dbraw/zinc/42/60/13/540426013.db2.gz WYMQJTKRIZWDAR-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000001838759 204021590 /nfs/dbraw/zinc/02/15/90/204021590.db2.gz IIXPCDRSYVHBBJ-UHFFFAOYSA-N 0 0 370.361 2.368 50 5 aggregator FEBARN Cn1cc([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)n1 ZINC000002115145 204026341 /nfs/dbraw/zinc/02/63/41/204026341.db2.gz IPVGORPEALLZBK-UHFFFAOYSA-N 0 0 363.399 2.010 50 5 FEBARN CCn1nc(C)c(CN(C)C(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)c1C ZINC000002791393 204058260 /nfs/dbraw/zinc/05/82/60/204058260.db2.gz VYSSYJAYXNXKJD-NSHDSACASA-N 0 0 362.434 2.228 50 5 FEBARN Cc1ccc(CONC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)cc1 ZINC000002797028 204058423 /nfs/dbraw/zinc/05/84/23/204058423.db2.gz UPVFDRIZSGJFHB-UHFFFAOYSA-N 0 0 367.365 2.405 50 5 FEBARN CC(=O)c1c(COC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2[n+]1[O-] ZINC000005518830 204213406 /nfs/dbraw/zinc/21/34/06/204213406.db2.gz DNECWHUOKBVFIY-UHFFFAOYSA-N 0 0 367.317 2.336 50 5 FEBARN COc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000005047670 204188629 /nfs/dbraw/zinc/18/86/29/204188629.db2.gz HGWCTPCUONRBNH-UHFFFAOYSA-N 0 0 363.370 2.251 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000005675464 204220965 /nfs/dbraw/zinc/22/09/65/204220965.db2.gz CEOZRFJNONUNBL-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN O=C(Nn1cc([N+](=O)[O-])cn1)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000006926590 204282768 /nfs/dbraw/zinc/28/27/68/204282768.db2.gz OORPNBKIJFBSBV-UHFFFAOYSA-N 0 0 367.300 2.024 50 5 FEBARN O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008075113 204316404 /nfs/dbraw/zinc/31/64/04/204316404.db2.gz QJTBGNCTFFDMHM-UHFFFAOYSA-N 0 0 364.358 2.498 50 5 FEBARN O=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000008401694 204330231 /nfs/dbraw/zinc/33/02/31/204330231.db2.gz UVLOYXWBYBDIGG-UHFFFAOYSA-N 0 0 353.787 2.470 50 5 FEBARN CCOC(=O)N1CCC(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000009154507 204355928 /nfs/dbraw/zinc/35/59/28/204355928.db2.gz UMRVNRKCDVZTLY-UHFFFAOYSA-N 0 0 365.386 2.019 50 5 FEBARN C[C@H](NC(=O)CNC(=O)c1cc([N+](=O)[O-])cn1C)c1cc2ccccc2o1 ZINC000009871847 204385165 /nfs/dbraw/zinc/38/51/65/204385165.db2.gz QVXCRNLVMBLIAA-NSHDSACASA-N 0 0 370.365 2.287 50 5 FEBARN C[C@@H](NC(=O)CNC(=O)c1cc([N+](=O)[O-])cn1C)c1cc2ccccc2o1 ZINC000009871853 204385178 /nfs/dbraw/zinc/38/51/78/204385178.db2.gz QVXCRNLVMBLIAA-LLVKDONJSA-N 0 0 370.365 2.287 50 5 FEBARN O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019841779 204710693 /nfs/dbraw/zinc/71/06/93/204710693.db2.gz OYNILCLLXIHKFH-UHFFFAOYSA-N 0 0 361.423 2.101 50 5 FEBARN CSc1nc2ncc3c(ccn(-c4ccc([N+](=O)[O-])cc4)c3=O)n2n1 ZINC000030875220 204914378 /nfs/dbraw/zinc/91/43/78/204914378.db2.gz OQGZSLWIWLPQQH-UHFFFAOYSA-N 0 0 354.351 2.059 50 5 FEBARN COCCNC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(C)c21 ZINC000036618415 205016993 /nfs/dbraw/zinc/01/69/93/205016993.db2.gz SKATVZNSQJSLGQ-UHFFFAOYSA-N 0 0 356.338 2.483 50 5 FEBARN CCOc1cc2c(cc1CNc1ncc([N+](=O)[O-])cc1C(N)=O)O[C@H](C)C2 ZINC000040083052 205053636 /nfs/dbraw/zinc/05/36/36/205053636.db2.gz GJCDAWPOLIXBDT-SNVBAGLBSA-N 0 0 372.381 2.423 50 5 FEBARN O=C(Cn1cnc([N+](=O)[O-])n1)N(CCc1ccccc1)Cc1ccccc1 ZINC000048222217 205152543 /nfs/dbraw/zinc/15/25/43/205152543.db2.gz NQDHDMHXZWQZHO-UHFFFAOYSA-N 0 0 365.393 2.458 50 5 FEBARN Cc1ccc(N2CCC[C@@H]2COC(=O)Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000095942884 205797175 /nfs/dbraw/zinc/79/71/75/205797175.db2.gz KTWPEAVPTGEVLV-MRXNPFEDSA-N 0 0 356.382 2.448 50 5 FEBARN CCOc1cc2c(cc1CNC(=O)c1ccc([N+](=O)[O-])c(N)n1)O[C@@H](C)C2 ZINC000096003928 205803185 /nfs/dbraw/zinc/80/31/85/205803185.db2.gz UYLZTOSXQRAJTA-JTQLQIEISA-N 0 0 372.381 2.224 50 5 FEBARN Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003515122 206161942 /nfs/dbraw/zinc/16/19/42/206161942.db2.gz SSSYTCWHAVGKFR-UHFFFAOYSA-N 0 0 357.366 2.379 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]([NH2+]CCCOC(C)C)C(=O)[O-] ZINC000005258401 206190989 /nfs/dbraw/zinc/19/09/89/206190989.db2.gz UXQJBLFUQJFQNI-OAHLLOKOSA-N 0 0 367.402 2.090 50 5 FEBARN CCOc1ccc(NC(=O)C[C@H]([NH2+]CCC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000005258769 206191925 /nfs/dbraw/zinc/19/19/25/206191925.db2.gz YCKJTXVFROCUIR-AWEZNQCLSA-N 0 0 367.402 2.411 50 5 FEBARN COc1ccc(CCNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008394640 206215474 /nfs/dbraw/zinc/21/54/74/206215474.db2.gz BKKXLZXZAAROQE-UHFFFAOYSA-N 0 0 371.393 2.082 50 5 FEBARN CCN(C[C@H]1COc2ccccc2O1)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008517321 206217296 /nfs/dbraw/zinc/21/72/96/206217296.db2.gz FKGQTTNGJUWREA-AWEZNQCLSA-N 0 0 374.397 2.097 50 5 FEBARN CNc1ccc(S(=O)(=O)N(C)Cc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000006787523 206243085 /nfs/dbraw/zinc/24/30/85/206243085.db2.gz AYYBBPYOHAPKTK-UHFFFAOYSA-N 0 0 365.411 2.466 50 5 FEBARN Cc1c(NCC(=O)NC[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000012528417 206292652 /nfs/dbraw/zinc/29/26/52/206292652.db2.gz KQGOVOMFHHOFRG-ZDUSSCGKSA-N 0 0 357.366 2.271 50 5 FEBARN COCCNC(=O)CN(C)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000015141947 206314815 /nfs/dbraw/zinc/31/48/15/206314815.db2.gz COHNGMWODUCWKD-UHFFFAOYSA-N 0 0 371.393 2.025 50 5 FEBARN COc1ccccc1C(=O)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000019994087 206328733 /nfs/dbraw/zinc/32/87/33/206328733.db2.gz WJKHXMAVNSHILI-UHFFFAOYSA-N 0 0 356.382 2.351 50 5 FEBARN O=C(Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)N1CCOCC1 ZINC000013714531 206305569 /nfs/dbraw/zinc/30/55/69/206305569.db2.gz LSTVWRHWLGOINJ-UHFFFAOYSA-N 0 0 369.377 2.248 50 5 FEBARN CN(Cc1ccc(F)cc1)C(=O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000054919570 206337378 /nfs/dbraw/zinc/33/73/78/206337378.db2.gz SGHNATOROVTXFK-UHFFFAOYSA-N 0 0 371.166 2.352 50 5 FEBARN Cc1ncc([N+](=O)[O-])n1CCOC(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000078989435 542492917 /nfs/dbraw/zinc/49/29/17/542492917.db2.gz MXRAYDYYMAAZPE-UHFFFAOYSA-N 0 0 373.344 2.210 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000001149487 132380523 /nfs/dbraw/zinc/38/05/23/132380523.db2.gz ZRLGDCCSEYQCPW-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000002871045 132384243 /nfs/dbraw/zinc/38/42/43/132384243.db2.gz AWJXIDDLEVOAIJ-UHFFFAOYSA-N 0 0 356.338 2.465 50 5 FEBARN CC(C)(C)[C@H](NC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)C(N)=O ZINC000089694546 542768997 /nfs/dbraw/zinc/76/89/97/542768997.db2.gz QXFLNZQXCMGIHI-SNVBAGLBSA-N 0 0 360.317 2.218 50 5 FEBARN COC(=O)[C@@H]1CCCC[C@@]1(C)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000089919308 542773075 /nfs/dbraw/zinc/77/30/75/542773075.db2.gz SEZVLXRYHRZOJH-DZGCQCFKSA-N 0 0 374.390 2.134 50 5 FEBARN O=C(c1noc2c1CCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000020458072 132896773 /nfs/dbraw/zinc/89/67/73/132896773.db2.gz XCWYIUMLBLJYJI-UHFFFAOYSA-N 0 0 356.382 2.424 50 5 FEBARN O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)cc1 ZINC000054531716 136125602 /nfs/dbraw/zinc/12/56/02/136125602.db2.gz PNEZTOIEZJTGNV-UHFFFAOYSA-N 0 0 358.373 2.495 50 5 FEBARN C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 ZINC000095462527 542971824 /nfs/dbraw/zinc/97/18/24/542971824.db2.gz UTHTXDCUROUNCI-SNVBAGLBSA-N 0 0 353.375 2.232 50 5 FEBARN C[C@@H](OC(=O)c1cc(Cl)[nH]c(=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000096007138 542987292 /nfs/dbraw/zinc/98/72/92/542987292.db2.gz CEVWXONMDHQEDY-MRVPVSSYSA-N 0 0 365.729 2.121 50 5 FEBARN CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1ccccn1c2=O ZINC000100301664 543024994 /nfs/dbraw/zinc/02/49/94/543024994.db2.gz VHKDQEYSOQODTG-UHFFFAOYSA-N 0 0 365.437 2.211 50 5 FEBARN O=[N+]([O-])c1cnc(N[C@H](CO)Cc2ccccn2)c(Br)c1 ZINC000170610816 546164492 /nfs/dbraw/zinc/16/44/92/546164492.db2.gz SDSYNDRYCZXYHJ-JTQLQIEISA-N 0 0 353.176 2.163 50 5 FEBARN O=C(NCC(F)(F)F)[C@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000225422859 548733703 /nfs/dbraw/zinc/73/37/03/548733703.db2.gz FVVVGDQIPHGXSY-JTQLQIEISA-N 0 0 371.319 2.137 50 5 FEBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000001129120 539339328 /nfs/dbraw/zinc/33/93/28/539339328.db2.gz MIOIFWKZOQNADS-UHFFFAOYSA-N 0 0 367.358 2.139 50 5 FEBARN COc1cc(C(=O)OCC(=O)N2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000003498185 539368835 /nfs/dbraw/zinc/36/88/35/539368835.db2.gz FKYHKIDVTPVYGS-LLVKDONJSA-N 0 0 366.370 2.170 50 5 FEBARN O=C(COc1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004901200 539395636 /nfs/dbraw/zinc/39/56/36/539395636.db2.gz GIROAGHJTILUPW-UHFFFAOYSA-N 0 0 359.357 2.462 50 5 FEBARN CCOC(=O)C1CCN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC1 ZINC000005528880 539412205 /nfs/dbraw/zinc/41/22/05/539412205.db2.gz HQHDVVGIVROUFR-UHFFFAOYSA-N 0 0 359.382 2.226 50 5 FEBARN COc1cc(CNC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)cc(OC)c1 ZINC000005921331 539418780 /nfs/dbraw/zinc/41/87/80/539418780.db2.gz MZIJJJYSISCLDS-GFCCVEGCSA-N 0 0 362.386 2.303 50 5 FEBARN O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 ZINC000006457375 539428028 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362.386 2.322 50 5 FEBARN COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000003442467 204100045 /nfs/dbraw/zinc/10/00/45/204100045.db2.gz UBWHIYVVHVPLBG-UHFFFAOYSA-N 0 0 374.305 2.128 50 5 FEBARN COc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000003565492 204107084 /nfs/dbraw/zinc/10/70/84/204107084.db2.gz IKEPIVNAWNDQNU-UHFFFAOYSA-N 0 0 373.365 2.371 50 5 FEBARN COc1ccccc1OC[C@H](O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004681097 204154280 /nfs/dbraw/zinc/15/42/80/204154280.db2.gz ZXIWOUSPHXDEPD-CQSZACIVSA-N 0 0 360.366 2.082 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COc2ccccc2O1 ZINC000004716042 204157876 /nfs/dbraw/zinc/15/78/76/204157876.db2.gz MJQCEYJGVRZRMS-ZDUSSCGKSA-N 0 0 364.379 2.022 50 5 FEBARN NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000004756126 204161726 /nfs/dbraw/zinc/16/17/26/204161726.db2.gz ZKDVEBJYJUJUBC-UHFFFAOYSA-N 0 0 355.759 2.148 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCn3c4ccccc4nc3C2)c([N+](=O)[O-])c1 ZINC000004885453 204173553 /nfs/dbraw/zinc/17/35/53/204173553.db2.gz JGGHQZPQAZFFRP-UHFFFAOYSA-N 0 0 372.406 2.457 50 5 FEBARN O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccccc1 ZINC000005068111 204189868 /nfs/dbraw/zinc/18/98/68/204189868.db2.gz OQBRPXYCHLNMOL-SFHVURJKSA-N 0 0 351.318 2.422 50 5 FEBARN O=C(NCCSc1nnnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005234636 204199075 /nfs/dbraw/zinc/19/90/75/204199075.db2.gz KZFKKWIZSCJEMB-UHFFFAOYSA-N 0 0 370.394 2.093 50 5 FEBARN Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005683616 204220575 /nfs/dbraw/zinc/22/05/75/204220575.db2.gz FUSDCBMQCBLEAB-GFCCVEGCSA-N 0 0 363.395 2.209 50 5 FEBARN CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000006061413 204236419 /nfs/dbraw/zinc/23/64/19/204236419.db2.gz JGLRTSNBLSNEIT-UHFFFAOYSA-N 0 0 361.329 2.210 50 5 FEBARN CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1[N+](=O)[O-])C2=O ZINC000006597945 204255977 /nfs/dbraw/zinc/25/59/77/204255977.db2.gz ZYVBDBPQAHAVGG-UHFFFAOYSA-N 0 0 360.370 2.034 50 5 FEBARN COc1cc(NC(=O)Cn2c(=O)cnc3ccccc32)c(C)cc1[N+](=O)[O-] ZINC000006882395 204279843 /nfs/dbraw/zinc/27/98/43/204279843.db2.gz APZOELWLLSDXIE-UHFFFAOYSA-N 0 0 368.349 2.260 50 5 FEBARN COc1ccc(NC(=O)[C@H](C)OC(=O)c2c(C)noc2C)c([N+](=O)[O-])c1 ZINC000007835708 204308804 /nfs/dbraw/zinc/30/88/04/204308804.db2.gz QKRUHAKJLJQEOI-JTQLQIEISA-N 0 0 363.326 2.392 50 5 FEBARN CN(C)C(=O)c1ccc(NC(=O)CN2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000008780484 204346699 /nfs/dbraw/zinc/34/66/99/204346699.db2.gz PBPNXIYSTXXFCL-UHFFFAOYSA-N 0 0 368.393 2.298 50 5 FEBARN CC(=O)Nc1ccc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 ZINC000010386948 204395880 /nfs/dbraw/zinc/39/58/80/204395880.db2.gz CDFWOECNGPYJRI-UHFFFAOYSA-N 0 0 367.317 2.032 50 5 FEBARN Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(Sc3ccc(F)cc3)cc21 ZINC000015106530 204604636 /nfs/dbraw/zinc/60/46/36/204604636.db2.gz QARDRKMSKKLWRA-UHFFFAOYSA-N 0 0 361.354 2.436 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000023074500 204795506 /nfs/dbraw/zinc/79/55/06/204795506.db2.gz PJMHOPAXSYIQFA-VIFPVBQESA-N 0 0 362.298 2.313 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046856927 205139493 /nfs/dbraw/zinc/13/94/93/205139493.db2.gz VPOCWRYSAPJXOJ-CHWSQXEVSA-N 0 0 350.371 2.021 50 5 FEBARN O=[N+]([O-])c1cnc(NCc2ccc(-n3cncn3)cc2)nc1NC1CC1 ZINC000052324904 205185679 /nfs/dbraw/zinc/18/56/79/205185679.db2.gz HTMYOHGCTUTSBT-UHFFFAOYSA-N 0 0 352.358 2.152 50 5 FEBARN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000055797746 205224429 /nfs/dbraw/zinc/22/44/29/205224429.db2.gz ZLRCGYGEPDNHQS-MRXNPFEDSA-N 0 0 371.418 2.426 50 5 FEBARN CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n([C@H](C)CC)c1=N ZINC000100628097 205946829 /nfs/dbraw/zinc/94/68/29/205946829.db2.gz MFGNACJBQKZHGH-GFCCVEGCSA-N 0 0 353.426 2.158 50 5 FEBARN O=C(Nc1nccs1)C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000044226663 206065548 /nfs/dbraw/zinc/06/55/48/206065548.db2.gz NRVVLUKSVAPVOT-UHFFFAOYSA-N 0 0 350.356 2.135 50 5 FEBARN CCCNC(=O)c1cccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000047119406 206080212 /nfs/dbraw/zinc/08/02/12/206080212.db2.gz OMWBMJUPMHZQNW-UHFFFAOYSA-N 0 0 359.386 2.187 50 5 FEBARN O=C1NC(=O)[C@@H]2[C@H]1ON(c1ccc(Cl)cc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000135682395 206127876 /nfs/dbraw/zinc/12/78/76/206127876.db2.gz WHAJACOXPHJQHR-SOUVJXGZSA-N 0 0 373.752 2.382 50 5 FEBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1CCS(=O)(=O)C1 ZINC000004192424 206169650 /nfs/dbraw/zinc/16/96/50/206169650.db2.gz HLIBWHHRBRWGTJ-SSDOTTSWSA-N 0 0 369.277 2.121 50 5 FEBARN O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(O)cc1O ZINC000007779850 206210243 /nfs/dbraw/zinc/21/02/43/206210243.db2.gz BQUNVRKKGOPKNC-UHFFFAOYSA-N 0 0 357.278 2.413 50 5 FEBARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006610550 206202888 /nfs/dbraw/zinc/20/28/88/206202888.db2.gz UAXAALJSYYUETM-UHFFFAOYSA-N 0 0 371.806 2.274 50 5 FEBARN COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000007985456 206214347 /nfs/dbraw/zinc/21/43/47/206214347.db2.gz HIRUUNWHIZTERC-UHFFFAOYSA-N 0 0 372.381 2.112 50 5 FEBARN CCN(C[C@@H]1COc2ccccc2O1)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008517315 206217674 /nfs/dbraw/zinc/21/76/74/206217674.db2.gz FKGQTTNGJUWREA-CQSZACIVSA-N 0 0 374.397 2.097 50 5 FEBARN C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)C2=O ZINC000008844919 206219258 /nfs/dbraw/zinc/21/92/58/206219258.db2.gz KSYDHHQYPHZTRH-PIGZYNQJSA-N 0 0 360.370 2.034 50 5 FEBARN COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@H]1c1ccc(C)cc1 ZINC000102804164 206230566 /nfs/dbraw/zinc/23/05/66/206230566.db2.gz AGXMJTBTKRHSRW-QMTMVMCOSA-N 0 0 372.377 2.021 50 5 FEBARN O=C(CS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCC1CCCCC1 ZINC000170636810 206277508 /nfs/dbraw/zinc/27/75/08/206277508.db2.gz KORRSCYCEJSZGX-UHFFFAOYSA-N 0 0 354.428 2.455 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C2(C)OCCO2)CC1 ZINC000075110523 542153451 /nfs/dbraw/zinc/15/34/51/542153451.db2.gz CMMLUCLUEQFLRA-UHFFFAOYSA-N 0 0 350.371 2.361 50 5 FEBARN O=C(CCNc1ccccc1[N+](=O)[O-])NCc1cccnc1-n1cccn1 ZINC000040089004 220878644 /nfs/dbraw/zinc/87/86/44/220878644.db2.gz HPDILAHTGAWTAH-UHFFFAOYSA-N 0 0 366.381 2.294 50 5 FEBARN CCN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000058417876 221118534 /nfs/dbraw/zinc/11/85/34/221118534.db2.gz NYDJSBQXKNJXGV-PBHICJAKSA-N 0 0 363.439 2.397 50 5 FEBARN COc1cc(F)c([N+](=O)[O-])c(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC000170088712 132264041 /nfs/dbraw/zinc/26/40/41/132264041.db2.gz UERDAEFCSLXCMO-OAHLLOKOSA-N 0 0 350.350 2.416 50 5 FEBARN O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000007983084 132373269 /nfs/dbraw/zinc/37/32/69/132373269.db2.gz QJJZFKGKZPSFQB-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=O ZINC000004037166 132386270 /nfs/dbraw/zinc/38/62/70/132386270.db2.gz DODVQIAPPKTATQ-VQIMIIECSA-N 0 0 372.425 2.410 50 5 FEBARN O=C(CSc1ccncc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000006344965 132831942 /nfs/dbraw/zinc/83/19/42/132831942.db2.gz ABSZTKCOQHTXOL-UHFFFAOYSA-N 0 0 358.423 2.431 50 5 FEBARN O=C(NOCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000040160102 136119523 /nfs/dbraw/zinc/11/95/23/136119523.db2.gz HGODNUASYRVILR-UHFFFAOYSA-N 0 0 357.366 2.293 50 5 FEBARN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cccnc1-n1cccn1 ZINC000095452956 542971009 /nfs/dbraw/zinc/97/10/09/542971009.db2.gz WLBWCDPGOARVDF-UHFFFAOYSA-N 0 0 373.394 2.160 50 5 FEBARN Cc1nc([C@@H]2CN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCO2)no1 ZINC000095468238 542972602 /nfs/dbraw/zinc/97/26/02/542972602.db2.gz IBSGEZZIQDDCOB-ZDUSSCGKSA-N 0 0 360.370 2.425 50 5 FEBARN CC1(C)OCC(CO)(Nc2ccc(Br)cc2[N+](=O)[O-])CO1 ZINC000225647840 548740638 /nfs/dbraw/zinc/74/06/38/548740638.db2.gz JXQXOFJNAKPSEF-UHFFFAOYSA-N 0 0 361.192 2.283 50 5 FEBARN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)ccc1[N+](=O)[O-] ZINC000011126534 539525277 /nfs/dbraw/zinc/52/52/77/539525277.db2.gz LAIWEAVAEBXHJZ-UHFFFAOYSA-N 0 0 356.382 2.065 50 5 FEBARN COc1ccc(Nc2nc(N3C[C@@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000012551561 539564338 /nfs/dbraw/zinc/56/43/38/539564338.db2.gz LKBRWXBUZZEMBX-PHIMTYICSA-N 0 0 374.401 2.333 50 5 FEBARN NS(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])c3cnccc23)cc1 ZINC000012554773 539565413 /nfs/dbraw/zinc/56/54/13/539565413.db2.gz YRZZSEQEPXWCCY-UHFFFAOYSA-N 0 0 372.406 2.445 50 5 FEBARN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000012780093 539573871 /nfs/dbraw/zinc/57/38/71/539573871.db2.gz BDNBGPKLATWHNT-CYBMUJFWSA-N 0 0 367.413 2.155 50 5 FEBARN COc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000015170708 539613626 /nfs/dbraw/zinc/61/36/26/539613626.db2.gz QBQSQADHBIMXOC-QGZVFWFLSA-N 0 0 358.398 2.484 50 5 FEBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc(C)cc(=O)[nH]2)n1 ZINC000015881335 539625218 /nfs/dbraw/zinc/62/52/18/539625218.db2.gz CMAVXTBUURKTBX-UHFFFAOYSA-N 0 0 368.353 2.041 50 5 FEBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cccc2nsnc21 ZINC000019078271 539651857 /nfs/dbraw/zinc/65/18/57/539651857.db2.gz SIQBIWFIIJLLMY-UHFFFAOYSA-N 0 0 372.362 2.324 50 5 FEBARN CN1CCN(c2ccc(-c3noc(-c4cccnc4)n3)cc2[N+](=O)[O-])CC1 ZINC000020894369 539678214 /nfs/dbraw/zinc/67/82/14/539678214.db2.gz ABQQOEULGPCBDC-UHFFFAOYSA-N 0 0 366.381 2.459 50 5 FEBARN COC(=O)c1cc(C(=O)N(C)Cc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000022666095 539697155 /nfs/dbraw/zinc/69/71/55/539697155.db2.gz HFCVGZVSNWRKIJ-UHFFFAOYSA-N 0 0 372.333 2.382 50 5 FEBARN Cc1ccc(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000024095946 539725882 /nfs/dbraw/zinc/72/58/82/539725882.db2.gz XWLPYWVGEOJKBO-ZDUSSCGKSA-N 0 0 370.361 2.248 50 5 FEBARN O=C(CNC(=O)c1ccc(F)cc1F)OCc1cccc([N+](=O)[O-])c1 ZINC000025018522 539746767 /nfs/dbraw/zinc/74/67/67/539746767.db2.gz RVPITIBTLWAENR-UHFFFAOYSA-N 0 0 350.277 2.346 50 5 FEBARN C[C@@H](NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 ZINC000001125772 219375619 /nfs/dbraw/zinc/37/56/19/219375619.db2.gz UDIGCBSGXHXBJY-SECBINFHSA-N 0 0 353.176 2.431 50 5 FEBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NS(C)(=O)=O ZINC000029967841 539870981 /nfs/dbraw/zinc/87/09/81/539870981.db2.gz PBVCPPHEACPQIP-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CCCCC3)CC2)cc1 ZINC000035624744 539983971 /nfs/dbraw/zinc/98/39/71/539983971.db2.gz JOKAQDSOQXGJNQ-UHFFFAOYSA-N 0 0 353.444 2.234 50 5 FEBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2cnccn2)CC1 ZINC000040098639 540006059 /nfs/dbraw/zinc/00/60/59/540006059.db2.gz ZHWIMKBPXVOPLR-UHFFFAOYSA-N 0 0 362.777 2.392 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(C(=O)NC(C)C)C1 ZINC000040130826 540007273 /nfs/dbraw/zinc/00/72/73/540007273.db2.gz DWYNTTFAHJWHGL-GFCCVEGCSA-N 0 0 364.402 2.372 50 5 FEBARN COc1ccc(NC(=S)NCCn2nc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000002728265 204053435 /nfs/dbraw/zinc/05/34/35/204053435.db2.gz SBFBRYXXQAGJCF-UHFFFAOYSA-N 0 0 365.415 2.104 50 5 FEBARN Cc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000002748974 204054923 /nfs/dbraw/zinc/05/49/23/204054923.db2.gz FHOXGEJLVXSQFT-UHFFFAOYSA-N 0 0 356.334 2.059 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000002868628 204064766 /nfs/dbraw/zinc/06/47/66/204064766.db2.gz XXOWULPQQZYPHN-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 ZINC000004607982 204150449 /nfs/dbraw/zinc/15/04/49/204150449.db2.gz OQFSEHUTGGEGGR-UHFFFAOYSA-N 0 0 357.366 2.449 50 5 FEBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC[C@@H]1CCCO1 ZINC000005449709 204209751 /nfs/dbraw/zinc/20/97/51/204209751.db2.gz QHPZGIHZWJAMOR-AWEZNQCLSA-N 0 0 374.349 2.307 50 5 FEBARN COCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000004906699 204174768 /nfs/dbraw/zinc/17/47/68/204174768.db2.gz HBNJWCRIOBGBTJ-GFCCVEGCSA-N 0 0 368.773 2.315 50 5 FEBARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1[N+](=O)[O-] ZINC000005121141 204193499 /nfs/dbraw/zinc/19/34/99/204193499.db2.gz KJYJCNMEYILWAP-LLVKDONJSA-N 0 0 351.384 2.170 50 5 FEBARN O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC1CCCCC1 ZINC000006226580 204241890 /nfs/dbraw/zinc/24/18/90/204241890.db2.gz QOMXVIXZVPKICZ-UHFFFAOYSA-N 0 0 359.382 2.420 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1 ZINC000007286621 204293533 /nfs/dbraw/zinc/29/35/33/204293533.db2.gz WNOOHTYXWNCKHJ-UHFFFAOYSA-N 0 0 360.395 2.313 50 5 FEBARN Cn1c2ccc([N+](=O)[O-])cc2nc1CCNS(=O)(=O)c1ccccc1 ZINC000006665162 204259288 /nfs/dbraw/zinc/25/92/88/204259288.db2.gz SYQPMWLSLKVGLC-UHFFFAOYSA-N 0 0 360.395 2.003 50 5 FEBARN Cn1nc(NC(=O)c2ccc([N+](=O)[O-])o2)c2c1NC(=O)C[C@@H]2c1ccco1 ZINC000035597898 204329155 /nfs/dbraw/zinc/32/91/55/204329155.db2.gz FDZAHGMXCUJCSD-MRVPVSSYSA-N 0 0 371.309 2.241 50 5 FEBARN Cn1nc(NC(=O)c2ccc([N+](=O)[O-])o2)c2c1NC(=O)C[C@H]2c1ccco1 ZINC000035597897 204329173 /nfs/dbraw/zinc/32/91/73/204329173.db2.gz FDZAHGMXCUJCSD-QMMMGPOBSA-N 0 0 371.309 2.241 50 5 FEBARN Cc1cccc(OC[C@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000009725714 204381168 /nfs/dbraw/zinc/38/11/68/204381168.db2.gz SJCFQERDAVGLKB-CQSZACIVSA-N 0 0 355.350 2.053 50 5 FEBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000014210659 204575973 /nfs/dbraw/zinc/57/59/73/204575973.db2.gz DGLFZVDRUXPMCV-JTQLQIEISA-N 0 0 350.352 2.363 50 5 FEBARN CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024234088 204817352 /nfs/dbraw/zinc/81/73/52/204817352.db2.gz JLBFRJIMQWCICZ-UHFFFAOYSA-N 0 0 353.338 2.495 50 5 FEBARN CC(C)(C)c1nc(CN2C(=O)N[C@@](C)(c3cccc([N+](=O)[O-])c3)C2=O)no1 ZINC000047357281 205145140 /nfs/dbraw/zinc/14/51/40/205145140.db2.gz UZGMLEYZPHFROH-KRWDZBQOSA-N 0 0 373.369 2.243 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000058379650 205274832 /nfs/dbraw/zinc/27/48/32/205274832.db2.gz IMMZOMDWOUHJMW-UHFFFAOYSA-N 0 0 356.338 2.399 50 5 FEBARN CN(C)c1nc(N)nc(CSc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)n1 ZINC000002877027 206157037 /nfs/dbraw/zinc/15/70/37/206157037.db2.gz NUPNJQYRJBUWCT-UHFFFAOYSA-N 0 0 372.414 2.110 50 5 FEBARN COc1ccc(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000003515370 206162236 /nfs/dbraw/zinc/16/22/36/206162236.db2.gz DQJMDCJZQGJHGX-UHFFFAOYSA-N 0 0 360.366 2.350 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2cccnc2n(C)c1=O ZINC000005303701 206194003 /nfs/dbraw/zinc/19/40/03/206194003.db2.gz RRITUZSQLNHMFJ-UHFFFAOYSA-N 0 0 354.322 2.103 50 5 FEBARN COc1ccc(N2C[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3C)CC2=O)cc1 ZINC000004497182 206178498 /nfs/dbraw/zinc/17/84/98/206178498.db2.gz YHOWRZQUXNGWAV-ZDUSSCGKSA-N 0 0 369.377 2.447 50 5 FEBARN Cc1cc(=O)c(C(=O)NCc2ccccc2)nn1-c1ccccc1[N+](=O)[O-] ZINC000007209614 206206877 /nfs/dbraw/zinc/20/68/77/206206877.db2.gz APHDWGATGIMLDT-UHFFFAOYSA-N 0 0 364.361 2.379 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(C=O)cc1 ZINC000006580643 206202217 /nfs/dbraw/zinc/20/22/17/206202217.db2.gz QQLCXBHSIJLSBH-UHFFFAOYSA-N 0 0 358.306 2.211 50 5 FEBARN CCOC(=O)Cc1csc(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000004176588 206235576 /nfs/dbraw/zinc/23/55/76/206235576.db2.gz XAOJWMAJJXXVHW-UHFFFAOYSA-N 0 0 365.367 2.174 50 5 FEBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccccc2F)CC1 ZINC000012873187 206296466 /nfs/dbraw/zinc/29/64/66/206296466.db2.gz XHOXJVAOUJWOKL-UHFFFAOYSA-N 0 0 357.341 2.332 50 5 FEBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(=O)Nc1c(C)cc(C)cc1C ZINC000058018431 206391813 /nfs/dbraw/zinc/39/18/13/206391813.db2.gz WYAFJPBSUSZFMU-UHFFFAOYSA-N 0 0 373.413 2.170 50 5 FEBARN Cc1nn(CN2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)c(C)c1[N+](=O)[O-] ZINC000058168847 206393624 /nfs/dbraw/zinc/39/36/24/206393624.db2.gz JGLMXVAECCTHBN-HNNXBMFYSA-N 0 0 372.429 2.420 50 5 FEBARN CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)CC1 ZINC000004305905 132386721 /nfs/dbraw/zinc/38/67/21/132386721.db2.gz VXBUAUNMZXVJML-UHFFFAOYSA-N 0 0 357.418 2.161 50 5 FEBARN O=[N+]([O-])c1c2nonc2c(N2CCc3ccccc3C2)cc1NCCCO ZINC000004716631 132824226 /nfs/dbraw/zinc/82/42/26/132824226.db2.gz YGCOEGXBTRDMKJ-UHFFFAOYSA-N 0 0 369.381 2.488 50 5 FEBARN CCCC(=O)NC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000048300405 136123299 /nfs/dbraw/zinc/12/32/99/136123299.db2.gz AFDQBTMIAXEWOB-UHFFFAOYSA-N 0 0 360.414 2.365 50 5 FEBARN C[C@H](C(=O)N1CCC[C@@H](C)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057380676 136129116 /nfs/dbraw/zinc/12/91/16/136129116.db2.gz WKHHPNUTWUXZLS-HZPDHXFCSA-N 0 0 360.458 2.364 50 5 FEBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1CN1CCN(c2ccccc2)CC1 ZINC000057999674 136130311 /nfs/dbraw/zinc/13/03/11/136130311.db2.gz UOWRZTATHSBAFQ-UHFFFAOYSA-N 0 0 365.393 2.084 50 5 FEBARN Cn1c(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000095467619 542972800 /nfs/dbraw/zinc/97/28/00/542972800.db2.gz LMRGLLKFFITEEX-UHFFFAOYSA-N 0 0 355.310 2.362 50 5 FEBARN C[C@H](NC(=O)Cn1ccc2c1cccc2[N+](=O)[O-])c1nnc2ccccn21 ZINC000096118596 542992208 /nfs/dbraw/zinc/99/22/08/542992208.db2.gz AURHXDXUQIUKST-LBPRGKRZSA-N 0 0 364.365 2.470 50 5 FEBARN Cn1cnc([N+](=O)[O-])c1N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000096524728 542999406 /nfs/dbraw/zinc/99/94/06/542999406.db2.gz DSDIHXCZDNGSCR-UHFFFAOYSA-N 0 0 353.785 2.443 50 5 FEBARN COc1c2c(c([N+](=O)[O-])cc1I)N(C(C)=O)CC2 ZINC000096034780 518127856 /nfs/dbraw/zinc/12/78/56/518127856.db2.gz XYDSCUODCCSAIK-UHFFFAOYSA-N 0 0 362.123 2.117 50 5 FEBARN O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1Cc2ccccc21 ZINC000170646477 546169204 /nfs/dbraw/zinc/16/92/04/546169204.db2.gz XUZJHPALGAEPNT-CQSZACIVSA-N 0 0 354.362 2.365 50 5 FEBARN COc1c(C=c2sc3nc4ccccc4n3c2=O)cccc1[N+](=O)[O-] ZINC000252669575 549677103 /nfs/dbraw/zinc/67/71/03/549677103.db2.gz HYSMSHDXQJAJMH-UHFFFAOYSA-N 0 0 353.359 2.374 50 5 FEBARN O=c1c(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)sc2nc3ccccc3n12 ZINC000252671072 549677579 /nfs/dbraw/zinc/67/75/79/549677579.db2.gz MPOJKKXRZOMYGV-UHFFFAOYSA-N 0 0 367.342 2.094 50 5 FEBARN COC(=O)/C=C/c1ccc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 ZINC000253417615 549688820 /nfs/dbraw/zinc/68/88/20/549688820.db2.gz BSXQDUNSGVIBJF-ZRQQLDRUSA-N 0 0 368.411 2.159 50 5 FEBARN COc1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000101740515 570823349 /nfs/dbraw/zinc/82/33/49/570823349.db2.gz FBRYTHOIRCQJQK-ZDUSSCGKSA-N 0 0 359.313 2.487 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)NCc3ccccn3)o2)c(C)c1[N+](=O)[O-] ZINC000000800678 539333097 /nfs/dbraw/zinc/33/30/97/539333097.db2.gz CQNDSQUUFHPVKY-UHFFFAOYSA-N 0 0 355.354 2.374 50 5 FEBARN NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000000754829 539333325 /nfs/dbraw/zinc/33/33/25/539333325.db2.gz NHAMKOOWBBGBIH-UHFFFAOYSA-N 0 0 355.759 2.148 50 5 FEBARN COc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000892980 539335104 /nfs/dbraw/zinc/33/51/04/539335104.db2.gz MEWVQHIBIOXESJ-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN COc1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC ZINC000000947087 539335881 /nfs/dbraw/zinc/33/58/81/539335881.db2.gz WSYGWGVDWHZQPW-UHFFFAOYSA-N 0 0 360.366 2.350 50 5 biogenic FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2Cn2cccn2)cc1 ZINC000010958931 539522756 /nfs/dbraw/zinc/52/27/56/539522756.db2.gz WYUUKVIMXVQROI-UHFFFAOYSA-N 0 0 372.406 2.318 50 5 FEBARN NC(=O)c1ccc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1 ZINC000012547977 539564873 /nfs/dbraw/zinc/56/48/73/539564873.db2.gz WZJOIXFCYNSWMG-UHFFFAOYSA-N 0 0 351.322 2.132 50 5 FEBARN O=C(Nn1cnc2ccccc21)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] ZINC000012602617 539566700 /nfs/dbraw/zinc/56/67/00/539566700.db2.gz FPITVDJSMPCZRS-UHFFFAOYSA-N 0 0 367.365 2.165 50 5 FEBARN Cc1cc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)no1 ZINC000018172584 539647320 /nfs/dbraw/zinc/64/73/20/539647320.db2.gz CRLOBXFVWHKQLJ-GKUGFIGPSA-N 0 0 372.385 2.417 50 5 FEBARN COc1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1[N+](=O)[O-] ZINC000019940217 539671960 /nfs/dbraw/zinc/67/19/60/539671960.db2.gz AIFCWGQUUBJDDH-UHFFFAOYSA-N 0 0 359.342 2.258 50 5 FEBARN O=C(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)NCc1ccco1 ZINC000024181088 539727404 /nfs/dbraw/zinc/72/74/04/539727404.db2.gz HIMLCRFVJWHGGQ-UHFFFAOYSA-N 0 0 359.363 2.449 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] ZINC000024535814 539734196 /nfs/dbraw/zinc/73/41/96/539734196.db2.gz LHSVPEABLFBNKE-MRXNPFEDSA-N 0 0 358.398 2.365 50 5 FEBARN CCCC(=O)N(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025668346 539766014 /nfs/dbraw/zinc/76/60/14/539766014.db2.gz VIALRGQHJJWUJY-UHFFFAOYSA-N 0 0 373.387 2.450 50 5 FEBARN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NS(C)(=O)=O)c1 ZINC000032921907 539959644 /nfs/dbraw/zinc/95/96/44/539959644.db2.gz ZIQMANJUINMOIA-NSHDSACASA-N 0 0 363.395 2.457 50 5 FEBARN Cc1nc(N2CCC(C(N)=O)CC2)nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000036708810 539992990 /nfs/dbraw/zinc/99/29/90/539992990.db2.gz AEORKZMCYCGZGI-UHFFFAOYSA-N 0 0 370.413 2.007 50 5 FEBARN CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000040130860 540007581 /nfs/dbraw/zinc/00/75/81/540007581.db2.gz VZDZSRUMCTXDEG-CYBMUJFWSA-N 0 0 369.443 2.294 50 5 FEBARN Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001838312 204021720 /nfs/dbraw/zinc/02/17/20/204021720.db2.gz BYZZNOWOJNLESS-UHFFFAOYSA-N 0 0 356.334 2.059 50 5 FEBARN C[C@H]1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000003263520 204086342 /nfs/dbraw/zinc/08/63/42/204086342.db2.gz HBKIMBXYBDNGCT-UWVGGRQHSA-N 0 0 356.762 2.041 50 5 FEBARN CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)S(=O)(=O)c1ccccc1 ZINC000002866919 204064489 /nfs/dbraw/zinc/06/44/89/204064489.db2.gz PTWHYHLZNDVDJU-UHFFFAOYSA-N 0 0 374.378 2.466 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004113577 204122202 /nfs/dbraw/zinc/12/22/02/204122202.db2.gz DBPHTTTYJGFOFP-CYBMUJFWSA-N 0 0 351.384 2.129 50 5 FEBARN COc1ccc(OC)c(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000004179510 204125619 /nfs/dbraw/zinc/12/56/19/204125619.db2.gz YTYOKOQBOIZVPC-UHFFFAOYSA-N 0 0 363.351 2.173 50 5 FEBARN CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000003419756 204098640 /nfs/dbraw/zinc/09/86/40/204098640.db2.gz BOQOTTOZLOUBNR-UHFFFAOYSA-N 0 0 370.408 2.264 50 5 FEBARN COc1cccc2cc(C(=O)OCCn3c(C)ncc3[N+](=O)[O-])c(=O)oc21 ZINC000004625645 204151701 /nfs/dbraw/zinc/15/17/01/204151701.db2.gz XKNFBQFUWUPDBG-UHFFFAOYSA-N 0 0 373.321 2.072 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCc1ccc(Cl)cc1 ZINC000004412154 204139007 /nfs/dbraw/zinc/13/90/07/204139007.db2.gz LEEUHQHZSHGBGT-UHFFFAOYSA-N 0 0 372.768 2.275 50 5 FEBARN Cn1cnnc1Sc1ccc(C(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000005557178 204214810 /nfs/dbraw/zinc/21/48/10/204214810.db2.gz QVGMSTHOENRSNR-UHFFFAOYSA-N 0 0 359.367 2.398 50 5 FEBARN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005683602 204220629 /nfs/dbraw/zinc/22/06/29/204220629.db2.gz FUSDCBMQCBLEAB-LBPRGKRZSA-N 0 0 363.395 2.209 50 5 FEBARN CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1Cl ZINC000005853281 204227475 /nfs/dbraw/zinc/22/74/75/204227475.db2.gz CERRSJJWHUZMDY-UHFFFAOYSA-N 0 0 373.774 2.344 50 5 FEBARN CCc1ccccc1NC(=O)CN(C)C(=O)COc1cccnc1[N+](=O)[O-] ZINC000005971642 204232280 /nfs/dbraw/zinc/23/22/80/204232280.db2.gz OTYDNBGBCZTVPS-UHFFFAOYSA-N 0 0 372.381 2.028 50 5 FEBARN CC(=O)Oc1ccccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000006318140 204244573 /nfs/dbraw/zinc/24/45/73/204244573.db2.gz XMJFPZGUNNCEAE-UHFFFAOYSA-N 0 0 358.306 2.316 50 5 FEBARN CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C ZINC000006602141 204255849 /nfs/dbraw/zinc/25/58/49/204255849.db2.gz KRYKDRHDNQQVHR-UHFFFAOYSA-N 0 0 350.404 2.045 50 5 FEBARN CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@H]1CC ZINC000007758005 204305573 /nfs/dbraw/zinc/30/55/73/204305573.db2.gz XEDUNRNJYOCXHR-JTQLQIEISA-N 0 0 367.333 2.021 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1nc2ccccc2n(C)c1=O ZINC000008594772 204336603 /nfs/dbraw/zinc/33/66/03/204336603.db2.gz ADPCMXMTSMHMDJ-UHFFFAOYSA-N 0 0 354.322 2.103 50 5 FEBARN Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N2)cc1 ZINC000009192444 204357098 /nfs/dbraw/zinc/35/70/98/204357098.db2.gz BDPRWNIZCFONPX-HNNXBMFYSA-N 0 0 367.365 2.198 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(Cl)cn1 ZINC000009576954 204374543 /nfs/dbraw/zinc/37/45/43/204374543.db2.gz DGXRREQHJKDOQM-UHFFFAOYSA-N 0 0 365.729 2.447 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000009951262 204387448 /nfs/dbraw/zinc/38/74/48/204387448.db2.gz ZVJCUWOQLMMCMQ-UHFFFAOYSA-N 0 0 370.317 2.274 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](Sc2nccc(C)n2)C1=O ZINC000018137804 204661447 /nfs/dbraw/zinc/66/14/47/204661447.db2.gz HWRYJRFYCXGKLD-CYBMUJFWSA-N 0 0 374.378 2.126 50 5 FEBARN Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000026011868 204846001 /nfs/dbraw/zinc/84/60/01/204846001.db2.gz UAXJFQGNRQHUOB-NSHDSACASA-N 0 0 360.322 2.349 50 5 FEBARN O=[N+]([O-])c1ccnn1CN1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000054429422 205200224 /nfs/dbraw/zinc/20/02/24/205200224.db2.gz RCPOFXHPDPZWDP-UHFFFAOYSA-N 0 0 365.821 2.099 50 5 FEBARN CN(CCOc1ccccc1)C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 ZINC000059386322 205282050 /nfs/dbraw/zinc/28/20/50/205282050.db2.gz FUNUATMSMOSACY-UHFFFAOYSA-N 0 0 361.379 2.055 50 5 FEBARN O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000048245111 206083212 /nfs/dbraw/zinc/08/32/12/206083212.db2.gz MPUSOOGWCCIKSU-UHFFFAOYSA-N 0 0 361.745 2.416 50 5 FEBARN CCOc1ccc(NC(=O)C[C@@H]([NH2+]CCC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000005258770 206191016 /nfs/dbraw/zinc/19/10/16/206191016.db2.gz YCKJTXVFROCUIR-CQSZACIVSA-N 0 0 367.402 2.411 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2ccccn21 ZINC000005212996 206191205 /nfs/dbraw/zinc/19/12/05/206191205.db2.gz SDKADBKWBMXLRX-UHFFFAOYSA-N 0 0 359.367 2.377 50 5 FEBARN CN(Cc1nc2ccccc2s1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000007020437 206207201 /nfs/dbraw/zinc/20/72/01/206207201.db2.gz NXFMHPJHYJGFNB-UHFFFAOYSA-N 0 0 358.379 2.025 50 5 FEBARN Cc1c(NCC(=O)NC[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-] ZINC000012528416 206292202 /nfs/dbraw/zinc/29/22/02/206292202.db2.gz KQGOVOMFHHOFRG-CYBMUJFWSA-N 0 0 357.366 2.271 50 5 FEBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000012988739 206298493 /nfs/dbraw/zinc/29/84/93/206298493.db2.gz WNHAAFLXGKHCPY-UHFFFAOYSA-N 0 0 361.379 2.288 50 5 FEBARN Cc1nn(C)c(N2CCN(C(=O)C[C@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000057140804 206383291 /nfs/dbraw/zinc/38/32/91/206383291.db2.gz PHBAYYRDTUSDOU-AWEZNQCLSA-N 0 0 371.441 2.479 50 5 FEBARN O=[N+]([O-])c1cccc(-c2noc(CSc3nc4ncccn4n3)n2)c1 ZINC000031849743 206508683 /nfs/dbraw/zinc/50/86/83/206508683.db2.gz YBPFHGDTDGWKEY-UHFFFAOYSA-N 0 0 355.339 2.375 50 5 FEBARN O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000084429134 542713754 /nfs/dbraw/zinc/71/37/54/542713754.db2.gz PEAKQOUFQKTYGX-UHFFFAOYSA-N 0 0 360.414 2.245 50 5 FEBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(O)cc2)CC1 ZINC000057884724 136130254 /nfs/dbraw/zinc/13/02/54/136130254.db2.gz ULSUJKBQYVIQSM-AWEZNQCLSA-N 0 0 370.409 2.450 50 5 FEBARN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000028924216 136153523 /nfs/dbraw/zinc/15/35/23/136153523.db2.gz RDBDDNVSUGMKNV-GOSISDBHSA-N 0 0 368.393 2.240 50 5 FEBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(Cc3ccccc3F)n2)n1 ZINC000000655346 539332175 /nfs/dbraw/zinc/33/21/75/539332175.db2.gz CXZVZAWDGIMJQF-UHFFFAOYSA-N 0 0 358.333 2.447 50 5 FEBARN Cc1ccc(NC(=O)Cn2nc([N+](=O)[O-])nc2Br)cc1C ZINC000001067761 539337958 /nfs/dbraw/zinc/33/79/58/539337958.db2.gz WKEWQZLRBNJKOC-UHFFFAOYSA-N 0 0 354.164 2.204 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc21 ZINC000001069213 539338284 /nfs/dbraw/zinc/33/82/84/539338284.db2.gz JPHDYFSQULZFGT-UHFFFAOYSA-N 0 0 365.187 2.452 50 5 FEBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000001315124 539340663 /nfs/dbraw/zinc/34/06/63/539340663.db2.gz CXMSGQNBFFOBLX-ZROIWOOFSA-N 0 0 368.349 2.413 50 5 FEBARN CC1(C)OC2=C(C(=O)O1)[C@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)O2 ZINC000004185814 539378195 /nfs/dbraw/zinc/37/81/95/539378195.db2.gz PMEGKRFOHMXKDT-AWEZNQCLSA-N 0 0 362.338 2.024 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)NC3=NCCS3)cc2)c(C)c1[N+](=O)[O-] ZINC000014083189 539594296 /nfs/dbraw/zinc/59/42/96/539594296.db2.gz IGPZKZQDOBTOPD-UHFFFAOYSA-N 0 0 359.411 2.289 50 5 FEBARN COc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])N2CCOCC2)cc1 ZINC000015170709 539613289 /nfs/dbraw/zinc/61/32/89/539613289.db2.gz QBQSQADHBIMXOC-KRWDZBQOSA-N 0 0 358.398 2.484 50 5 FEBARN CCOC(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc32)cc([N+](=O)[O-])c1 ZINC000015911929 539625010 /nfs/dbraw/zinc/62/50/10/539625010.db2.gz KAXWJCBHWUTREJ-UHFFFAOYSA-N 0 0 369.333 2.370 50 5 FEBARN O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000018244185 539648551 /nfs/dbraw/zinc/64/85/51/539648551.db2.gz IVSZKQITVIEMLX-KBPBESRZSA-N 0 0 368.349 2.139 50 5 FEBARN CN1CCN(c2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])CC1 ZINC000020898073 539678414 /nfs/dbraw/zinc/67/84/14/539678414.db2.gz KQBXJOKVFASDIA-UHFFFAOYSA-N 0 0 366.381 2.459 50 5 FEBARN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000024178438 539727569 /nfs/dbraw/zinc/72/75/69/539727569.db2.gz PXMVMUUQKQHRMZ-GOSISDBHSA-N 0 0 355.394 2.398 50 5 FEBARN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000024480399 539732704 /nfs/dbraw/zinc/73/27/04/539732704.db2.gz GCFVPEYBEXLNLH-DYEKYZERSA-N 0 0 368.411 2.090 50 5 FEBARN O=C(COC(=O)c1cc2ccccc2c(=O)[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000024521335 539733016 /nfs/dbraw/zinc/73/30/16/539733016.db2.gz AESKGGWHEIBUCT-UHFFFAOYSA-N 0 0 367.317 2.232 50 5 FEBARN COc1cc(CN(C)C(=O)Cn2cnc([N+](=O)[O-])c2)ccc1OC(F)F ZINC000024767286 539740575 /nfs/dbraw/zinc/74/05/75/539740575.db2.gz NBLRPFKANPMIAV-UHFFFAOYSA-N 0 0 370.312 2.060 50 5 FEBARN COc1ccc(NC(=O)COC(=O)c2cc(Cl)c[nH]2)c([N+](=O)[O-])c1 ZINC000025194654 539750678 /nfs/dbraw/zinc/75/06/78/539750678.db2.gz UYUDDNUZLQAEGM-UHFFFAOYSA-N 0 0 353.718 2.380 50 5 FEBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1nnc2n1CCC2 ZINC000026361815 539785057 /nfs/dbraw/zinc/78/50/57/539785057.db2.gz WQVOUHSDMZSCFW-UHFFFAOYSA-N 0 0 373.416 2.009 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cn(Cc2coc(-c3cccc(F)c3)n2)c1=O ZINC000026778427 539793210 /nfs/dbraw/zinc/79/32/10/539793210.db2.gz UKMFJRBQPXEZNU-UHFFFAOYSA-N 0 0 373.296 2.386 50 5 FEBARN O=C(NCc1ccco1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000001106997 219370529 /nfs/dbraw/zinc/37/05/29/219370529.db2.gz GZVBNEQGJFQGCW-UHFFFAOYSA-N 0 0 357.366 2.356 50 5 FEBARN CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1/C=C/CN1CCOCC1 ZINC000034573004 539977110 /nfs/dbraw/zinc/97/71/10/539977110.db2.gz ZTDLJWPJHMESFI-KRXBUXKQSA-N 0 0 361.427 2.378 50 5 FEBARN COC[C@H](C)NC(=O)/C=C/c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000040042864 540004355 /nfs/dbraw/zinc/00/43/55/540004355.db2.gz AWFWDGHGVHGWSB-MOVJSRMASA-N 0 0 360.313 2.369 50 5 FEBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN1CCOCC1 ZINC000046439203 540257381 /nfs/dbraw/zinc/25/73/81/540257381.db2.gz RFQGQGCBGFZMPJ-UHFFFAOYSA-N 0 0 364.280 2.266 50 5 FEBARN CCOC(=O)C1CCN(CC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])CC1 ZINC000007614210 219811360 /nfs/dbraw/zinc/81/13/60/219811360.db2.gz QUCXPZRHEKVHLK-UHFFFAOYSA-N 0 0 363.414 2.425 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nccn1C(F)F ZINC000012544523 220005741 /nfs/dbraw/zinc/00/57/41/220005741.db2.gz LASNOYQNUYOHEF-UHFFFAOYSA-N 0 0 360.342 2.316 50 5 FEBARN CCN(CC)C(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)c1ccccc1 ZINC000071767324 541772150 /nfs/dbraw/zinc/77/21/50/541772150.db2.gz CNCDQNGXPMKMOA-MSUUIHNZSA-N 0 0 362.411 2.067 50 5 FEBARN Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1[N+](=O)[O-] ZINC000003090137 204077987 /nfs/dbraw/zinc/07/79/87/204077987.db2.gz JRYSXRJFMILYNU-UHFFFAOYSA-N 0 0 356.294 2.477 50 5 FEBARN COc1ccc(OC)c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000003227642 204083022 /nfs/dbraw/zinc/08/30/22/204083022.db2.gz HTRIZMRKZGNLDY-UHFFFAOYSA-N 0 0 350.283 2.001 50 5 FEBARN COCCSc1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000002865417 204063069 /nfs/dbraw/zinc/06/30/69/204063069.db2.gz LPLGNCFAQKGPKW-UHFFFAOYSA-N 0 0 370.412 2.446 50 5 FEBARN C[C@@H]([C@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003885712 204113057 /nfs/dbraw/zinc/11/30/57/204113057.db2.gz XSMOERJRFABHMJ-LRDDRELGSA-N 0 0 350.396 2.337 50 5 FEBARN Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C(F)(F)F ZINC000004118656 204121466 /nfs/dbraw/zinc/12/14/66/204121466.db2.gz DVTFQGUZPDPUPC-UHFFFAOYSA-N 0 0 361.305 2.473 50 5 FEBARN O=C(Nc1ncc(Br)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004616547 204150099 /nfs/dbraw/zinc/15/00/99/204150099.db2.gz RRVORVDIIUDTSO-UHFFFAOYSA-N 0 0 368.103 2.308 50 5 FEBARN Cc1ccccc1-n1nc([N+](=O)[O-])c(NCc2ccc3c(c2)OCO3)[n+]1[O-] ZINC000004971342 204181285 /nfs/dbraw/zinc/18/12/85/204181285.db2.gz FXYHNIZRRRYVCJ-UHFFFAOYSA-N 0 0 369.337 2.063 50 5 FEBARN Cc1ccc(-n2c3ccc([N+](=O)[O-])cc3cc3c(=O)n(C)c(=O)nc2-3)cc1 ZINC000005093598 204192307 /nfs/dbraw/zinc/19/23/07/204192307.db2.gz FXSAEJFLOHRCKR-UHFFFAOYSA-N 0 0 362.345 2.406 50 5 FEBARN Cc1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-] ZINC000005938867 204231354 /nfs/dbraw/zinc/23/13/54/204231354.db2.gz ACCVODZVLOBZSQ-UHFFFAOYSA-N 0 0 372.333 2.105 50 5 FEBARN O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000005950876 204231862 /nfs/dbraw/zinc/23/18/62/204231862.db2.gz WGOVMNADTLFBCM-UHFFFAOYSA-N 0 0 361.116 2.236 50 5 FEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)CCC1=O ZINC000005947186 204232058 /nfs/dbraw/zinc/23/20/58/204232058.db2.gz JISATHJQAVNODM-INIZCTEOSA-N 0 0 367.361 2.294 50 5 FEBARN Nc1nnc(Sc2ccc(C(=O)N3CCCC3)cc2[N+](=O)[O-])s1 ZINC000005943807 204232627 /nfs/dbraw/zinc/23/26/27/204232627.db2.gz UDKHLJRTULYJKO-UHFFFAOYSA-N 0 0 351.413 2.416 50 5 FEBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC(=O)NC1CCCCC1 ZINC000007007177 204286240 /nfs/dbraw/zinc/28/62/40/204286240.db2.gz KKVVJOAFXWRORB-VIFPVBQESA-N 0 0 369.399 2.360 50 5 FEBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000036391994 204379424 /nfs/dbraw/zinc/37/94/24/204379424.db2.gz AYRHSTZPMSUBPI-LLVKDONJSA-N 0 0 363.395 2.457 50 5 FEBARN CCOC(=O)c1cnn2c1nc(-c1cccc([N+](=O)[O-])c1)cc2C(=O)OC ZINC000013645592 204541414 /nfs/dbraw/zinc/54/14/14/204541414.db2.gz CPNQWIKBBDUGRS-UHFFFAOYSA-N 0 0 370.321 2.268 50 5 FEBARN O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])o1 ZINC000023154940 204797937 /nfs/dbraw/zinc/79/79/37/204797937.db2.gz OTEKVJGUAMUGDY-AWEZNQCLSA-N 0 0 363.345 2.130 50 5 FEBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)Nc2ccccn2)c1 ZINC000052968746 205188587 /nfs/dbraw/zinc/18/85/87/205188587.db2.gz QQMRJPQFAMZPEI-UHFFFAOYSA-N 0 0 360.395 2.470 50 5 FEBARN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1c([N+](=O)[O-])ncn1C ZINC000054389163 205200384 /nfs/dbraw/zinc/20/03/84/205200384.db2.gz CPGDIFGWHQMHQX-NSHDSACASA-N 0 0 374.319 2.223 50 5 FEBARN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000054621092 205202454 /nfs/dbraw/zinc/20/24/54/205202454.db2.gz XUVIIRLYCDFXAH-LBPRGKRZSA-N 0 0 361.427 2.201 50 5 FEBARN Cc1nc([N+](=O)[O-])c(NCc2cccc(NC(=O)[C@H]3CCCO3)c2)n1C ZINC000104095149 205997489 /nfs/dbraw/zinc/99/74/89/205997489.db2.gz BUSSDNWLKWWPQB-CQSZACIVSA-N 0 0 359.386 2.366 50 5 FEBARN NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004247044 206172870 /nfs/dbraw/zinc/17/28/70/206172870.db2.gz SFGQWHVONGJCQL-RTLPCREESA-N 0 0 357.410 2.395 50 5 FEBARN COc1ccccc1CNC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000008234044 206213653 /nfs/dbraw/zinc/21/36/53/206213653.db2.gz RPBKRTNPGQKUOU-UHFFFAOYSA-N 0 0 350.352 2.138 50 5 FEBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000004810942 206238674 /nfs/dbraw/zinc/23/86/74/206238674.db2.gz JUVIZTXBSZRRLA-UHFFFAOYSA-N 0 0 352.372 2.285 50 5 FEBARN O=C(COCC1CC1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000058045319 206389690 /nfs/dbraw/zinc/38/96/90/206389690.db2.gz KTSFDSWXJCYXEF-UHFFFAOYSA-N 0 0 353.806 2.323 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2cccc(O)c2)CC1 ZINC000095401322 132210776 /nfs/dbraw/zinc/21/07/76/132210776.db2.gz LGOFIPFNSNKQRO-UHFFFAOYSA-N 0 0 370.409 2.370 50 5 FEBARN C[C@@H](C(=O)N1CCC[C@@H](C)C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000057380678 136129080 /nfs/dbraw/zinc/12/90/80/136129080.db2.gz WKHHPNUTWUXZLS-CVEARBPZSA-N 0 0 360.458 2.364 50 5 FEBARN CNC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2O1 ZINC000029767182 136153670 /nfs/dbraw/zinc/15/36/70/136153670.db2.gz GWLMEGKIAVPDDL-INIZCTEOSA-N 0 0 355.350 2.057 50 5 FEBARN CC[S@](=O)c1ccccc1C(=O)N[C@H]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095467900 542972583 /nfs/dbraw/zinc/97/25/83/542972583.db2.gz ZFSIGAFROLSGLW-WHDAMIPWSA-N 0 0 373.434 2.405 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])C1 ZINC000245225685 525386978 /nfs/dbraw/zinc/38/69/78/525386978.db2.gz DEPNGHYNZRBTHK-GRYCIOLGSA-N 0 0 350.423 2.040 50 5 FEBARN O=C(OCCNc1ccc([N+](=O)[O-])cn1)c1cc2ccccc2oc1=O ZINC000020413244 526419988 /nfs/dbraw/zinc/41/99/88/526419988.db2.gz ALXLGTPSCJWNPV-UHFFFAOYSA-N 0 0 355.306 2.365 50 5 FEBARN COC[C@@H](C)NC(=O)/C=C\c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000098003911 670764672 /nfs/dbraw/zinc/76/46/72/670764672.db2.gz AWFWDGHGVHGWSB-XRVBUDJMSA-N 0 0 360.313 2.369 50 5 FEBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000000805348 539333912 /nfs/dbraw/zinc/33/39/12/539333912.db2.gz PYJJWZVDYMGMCT-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN COc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000000850462 539335126 /nfs/dbraw/zinc/33/51/26/539335126.db2.gz REEKBSVKKTZPQN-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1C ZINC000002081417 539344862 /nfs/dbraw/zinc/34/48/62/539344862.db2.gz LDOYCIDBUXMHGQ-UHFFFAOYSA-N 0 0 363.351 2.103 50 5 FEBARN COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OS(C)(=O)=O ZINC000002534602 539349029 /nfs/dbraw/zinc/34/90/29/539349029.db2.gz FERFUTRDNGHYSQ-UHFFFAOYSA-N 0 0 351.427 2.420 50 5 FEBARN CCn1nc(C)c(CN(C)C(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)c1C ZINC000002791394 539353667 /nfs/dbraw/zinc/35/36/67/539353667.db2.gz VYSSYJAYXNXKJD-LLVKDONJSA-N 0 0 362.434 2.228 50 5 FEBARN Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1[N+](=O)[O-] ZINC000002764984 539352922 /nfs/dbraw/zinc/35/29/22/539352922.db2.gz BJWBRPYMLXRDPR-UHFFFAOYSA-N 0 0 354.370 2.292 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(O)cc2)CC1 ZINC000003309473 539362647 /nfs/dbraw/zinc/36/26/47/539362647.db2.gz XYHSUBDUAOKWQY-UHFFFAOYSA-N 0 0 357.366 2.028 50 5 FEBARN COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@H]1c1ccc(C)cc1 ZINC000004023107 539374934 /nfs/dbraw/zinc/37/49/34/539374934.db2.gz AGXMJTBTKRHSRW-YZVOILCLSA-N 0 0 372.377 2.021 50 5 biogenic FEBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000004950303 539397633 /nfs/dbraw/zinc/39/76/33/539397633.db2.gz HPQJZGOISPBBKZ-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN CSc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-] ZINC000005425778 539411454 /nfs/dbraw/zinc/41/14/54/539411454.db2.gz VQBUCPNLFRJUGN-UHFFFAOYSA-N 0 0 350.352 2.383 50 5 FEBARN Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCc1cccc([N+](=O)[O-])c1 ZINC000010216455 539514144 /nfs/dbraw/zinc/51/41/44/539514144.db2.gz JWFQSUORXVCCFU-UHFFFAOYSA-N 0 0 372.406 2.141 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2cccnc2)CC1 ZINC000013325085 539585899 /nfs/dbraw/zinc/58/58/99/539585899.db2.gz GYNQMOIQXMBPAY-UHFFFAOYSA-N 0 0 371.397 2.348 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000019343522 539656203 /nfs/dbraw/zinc/65/62/03/539656203.db2.gz TXQZAKZLNHDUOG-UHFFFAOYSA-N 0 0 367.452 2.163 50 5 FEBARN Cn1cnc([N+](=O)[O-])c1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019834809 539669735 /nfs/dbraw/zinc/66/97/35/539669735.db2.gz SPDKPSNIQUPZOD-UHFFFAOYSA-N 0 0 356.308 2.069 50 5 FEBARN Cc1cc(CN(C)c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])no1 ZINC000023185385 539708449 /nfs/dbraw/zinc/70/84/49/539708449.db2.gz COYOQIVXKMLLEU-UHFFFAOYSA-N 0 0 368.415 2.214 50 5 FEBARN Cc1ccccc1CNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000024796789 539741472 /nfs/dbraw/zinc/74/14/72/539741472.db2.gz IHBZZESHJAWQCQ-UHFFFAOYSA-N 0 0 368.437 2.342 50 5 FEBARN COC(=O)c1ccc(NCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001052523 219359488 /nfs/dbraw/zinc/35/94/88/219359488.db2.gz YISAAUBCIVXDHL-UHFFFAOYSA-N 0 0 355.306 2.047 50 5 FEBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000001067494 219363209 /nfs/dbraw/zinc/36/32/09/219363209.db2.gz POVBSAUKZRXNRS-UHFFFAOYSA-N 0 0 364.383 2.157 50 5 FEBARN C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029674991 539860373 /nfs/dbraw/zinc/86/03/73/539860373.db2.gz CYIXCNAKVNYTJI-MRXNPFEDSA-N 0 0 360.458 2.113 50 5 FEBARN Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000032956389 539961058 /nfs/dbraw/zinc/96/10/58/539961058.db2.gz DFVOWISAJFCIEK-UHFFFAOYSA-N 0 0 373.409 2.275 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(c2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])C1 ZINC000036391093 539990319 /nfs/dbraw/zinc/99/03/19/539990319.db2.gz DEPNGHYNZRBTHK-IJLUTSLNSA-N 0 0 350.423 2.040 50 5 FEBARN COc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C2=O)c1 ZINC000037275935 539995775 /nfs/dbraw/zinc/99/57/75/539995775.db2.gz YKGLNJYAXVGVCT-CYBMUJFWSA-N 0 0 369.377 2.481 50 5 FEBARN Cc1ccc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] ZINC000040080655 540005359 /nfs/dbraw/zinc/00/53/59/540005359.db2.gz DZSUCJDZMCMONA-UHFFFAOYSA-N 0 0 368.349 2.207 50 5 FEBARN CC[C@H](C)[C@H](NCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C)C(=O)OC ZINC000058165241 540830723 /nfs/dbraw/zinc/83/07/23/540830723.db2.gz PHSSIMDRNWOPGQ-QFYYESIMSA-N 0 0 367.402 2.028 50 5 FEBARN CC(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N ZINC000100560211 209214771 /nfs/dbraw/zinc/21/47/71/209214771.db2.gz LCXWTFPJLNYDHR-UHFFFAOYSA-N 0 0 365.437 2.382 50 5 FEBARN Cc1nc(C)c(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)s1 ZINC000075107146 542152847 /nfs/dbraw/zinc/15/28/47/542152847.db2.gz QBENGFSNSKERGN-UHFFFAOYSA-N 0 0 355.397 2.324 50 5 FEBARN O=c1c2cc(Br)ccc2oc2nc3n(c(=O)c12)CCS3 ZINC000002265544 206906573 /nfs/dbraw/zinc/90/65/73/206906573.db2.gz GBHZAXVKYRUSST-UHFFFAOYSA-N 0 0 351.181 2.371 50 5 FEBARN COc1ccc(NC(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC ZINC000003243803 206962971 /nfs/dbraw/zinc/96/29/71/206962971.db2.gz ZBSDVRSLWIEBJY-UHFFFAOYSA-N 0 0 374.349 2.336 50 5 FEBARN CCCCCn1c(=O)c(F)cn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O ZINC000004950961 207065390 /nfs/dbraw/zinc/06/53/90/207065390.db2.gz FGSIUFVWXKGCRY-UHFFFAOYSA-N 0 0 365.361 2.304 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccc2c(c1)OCCO2 ZINC000005020715 207072032 /nfs/dbraw/zinc/07/20/32/207072032.db2.gz RTZORCXOMOTVKX-UHFFFAOYSA-N 0 0 364.335 2.223 50 5 FEBARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000006567046 207146846 /nfs/dbraw/zinc/14/68/46/207146846.db2.gz PUTGRMAQWJFULQ-UHFFFAOYSA-N 0 0 372.312 2.266 50 5 FEBARN CN(Cc1ccc2c(c1)OCO2)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000007187776 207189582 /nfs/dbraw/zinc/18/95/82/207189582.db2.gz MMAYTVTUUKJAHO-UHFFFAOYSA-N 0 0 364.379 2.363 50 5 FEBARN CN(C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000011851766 207325323 /nfs/dbraw/zinc/32/53/23/207325323.db2.gz UHGCAKADCQXDOD-LLVKDONJSA-N 0 0 364.379 2.114 50 5 FEBARN CCCOC(=O)CCC(=O)NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000012137461 207341663 /nfs/dbraw/zinc/34/16/63/207341663.db2.gz BSCHGLRJHDNOHW-UHFFFAOYSA-N 0 0 369.399 2.150 50 5 FEBARN COc1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000012923272 207437269 /nfs/dbraw/zinc/43/72/69/207437269.db2.gz SIQWCQUFJMXXFP-UHFFFAOYSA-N 0 0 354.409 2.412 50 5 FEBARN O=C(Nc1ccon1)C12C[C@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 ZINC000018172628 207629992 /nfs/dbraw/zinc/62/99/92/207629992.db2.gz QABQQUNIBCFPIE-IUOZQUQDSA-N 0 0 358.358 2.109 50 5 FEBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000040089965 207954646 /nfs/dbraw/zinc/95/46/46/207954646.db2.gz MKSHGQDHCZIBDB-AWEZNQCLSA-N 0 0 355.398 2.081 50 5 FEBARN CN(C)C(=O)c1cccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000032923594 208058163 /nfs/dbraw/zinc/05/81/63/208058163.db2.gz BQOOAXUTXVQFQO-UHFFFAOYSA-N 0 0 364.379 2.492 50 5 FEBARN Cc1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)c1[N+](=O)[O-] ZINC000040117764 208229860 /nfs/dbraw/zinc/22/98/60/208229860.db2.gz XYBUOPOUKMXJML-GOSISDBHSA-N 0 0 368.349 2.210 50 5 FEBARN CCc1cc(N(C)C[C@@H](C)c2nn[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000095941778 209088543 /nfs/dbraw/zinc/08/85/43/209088543.db2.gz NMEAJTQJIPCBGC-LLVKDONJSA-N 0 0 368.401 2.367 50 5 FEBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC2(C1)OCCO2 ZINC000083888790 542705374 /nfs/dbraw/zinc/70/53/74/542705374.db2.gz KJMIQZRTJTZIBC-LBPRGKRZSA-N 0 0 352.412 2.441 50 5 FEBARN O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000004087976 132386275 /nfs/dbraw/zinc/38/62/75/132386275.db2.gz DHIZZSAMDYNESV-UHFFFAOYSA-N 0 0 370.434 2.432 50 5 FEBARN COc1ccc(CNC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 ZINC000012517209 132858299 /nfs/dbraw/zinc/85/82/99/132858299.db2.gz SVDRAAQNWFYBFE-UHFFFAOYSA-N 0 0 371.393 2.370 50 5 FEBARN O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000052537638 136124456 /nfs/dbraw/zinc/12/44/56/136124456.db2.gz BJJMNXOGZTYMND-UHFFFAOYSA-N 0 0 358.373 2.495 50 5 FEBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCOCC1 ZINC000058343841 136131514 /nfs/dbraw/zinc/13/15/14/136131514.db2.gz ORXOKCUWHOLSTG-UHFFFAOYSA-N 0 0 357.366 2.449 50 5 FEBARN Cc1ccc(N2C(=O)[C@@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000103561846 543114541 /nfs/dbraw/zinc/11/45/41/543114541.db2.gz KDUOFNLMQJKNAU-GOEBONIOSA-N 0 0 351.318 2.196 50 5 FEBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1cccc(F)c1 ZINC000103625887 543115755 /nfs/dbraw/zinc/11/57/55/543115755.db2.gz GTTIINNVRULUMN-ZFWWWQNUSA-N 0 0 355.281 2.026 50 5 FEBARN CNC(=O)[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC)c2ccccc2O1 ZINC000058370981 536400599 /nfs/dbraw/zinc/40/05/99/536400599.db2.gz KGQUBDXFSSCELP-QGZVFWFLSA-N 0 0 357.366 2.117 50 5 FEBARN Cn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1=O ZINC000170600385 546163099 /nfs/dbraw/zinc/16/30/99/546163099.db2.gz QVGUTULLLXQLMY-UHFFFAOYSA-N 0 0 352.144 2.308 50 5 FEBARN CN(Cc1ccccc1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000850466 539335035 /nfs/dbraw/zinc/33/50/35/539335035.db2.gz QHUCYXOLQYLOLT-UHFFFAOYSA-N 0 0 367.361 2.240 50 5 FEBARN COC(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000001179576 539340022 /nfs/dbraw/zinc/34/00/22/539340022.db2.gz WVNFQGQZNJWQDI-UHFFFAOYSA-N 0 0 358.306 2.040 50 5 FEBARN COCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001891427 539343466 /nfs/dbraw/zinc/34/34/66/539343466.db2.gz KYWWUFTUKSBOIC-UHFFFAOYSA-N 0 0 374.349 2.416 50 5 FEBARN Cn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 ZINC000002779218 539352632 /nfs/dbraw/zinc/35/26/32/539352632.db2.gz IORJJLKZOJBVPS-UHFFFAOYSA-N 0 0 363.399 2.010 50 5 FEBARN O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000003275611 539361953 /nfs/dbraw/zinc/36/19/53/539361953.db2.gz KVDRRQYCPOMHID-UHFFFAOYSA-N 0 0 358.306 2.048 50 5 FEBARN CNc1ccc(C(=O)OCC(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] ZINC000005363700 539409450 /nfs/dbraw/zinc/40/94/50/539409450.db2.gz VWZXLTNOZXPNLG-UHFFFAOYSA-N 0 0 359.338 2.441 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)ccc1C(N)=O ZINC000009513581 539503821 /nfs/dbraw/zinc/50/38/21/539503821.db2.gz XEJIXGUSKVCROO-UHFFFAOYSA-N 0 0 359.338 2.028 50 5 FEBARN CNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000010255987 539515513 /nfs/dbraw/zinc/51/55/13/539515513.db2.gz IBWWWNJPQMILEQ-SDMNGIDPSA-N 0 0 351.362 2.312 50 5 FEBARN Cc1nn(CC(=O)N(C)CC(=O)Nc2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000012893796 539578477 /nfs/dbraw/zinc/57/84/77/539578477.db2.gz HLQNDQWSXNKUJZ-UHFFFAOYSA-N 0 0 373.413 2.122 50 5 FEBARN O=C1C[C@@H](N2CCc3ccccc3C2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000018275876 539648731 /nfs/dbraw/zinc/64/87/31/539648731.db2.gz DCLRQEYOQACJGG-QGZVFWFLSA-N 0 0 351.362 2.285 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cccs2)CC1 ZINC000019854103 539670068 /nfs/dbraw/zinc/67/00/68/539670068.db2.gz PTWZAUQWWDXPEM-UHFFFAOYSA-N 0 0 367.452 2.163 50 5 FEBARN O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccsc21 ZINC000021848488 539687803 /nfs/dbraw/zinc/68/78/03/539687803.db2.gz HEJGJNNOMDUCOL-UHFFFAOYSA-N 0 0 371.422 2.215 50 5 FEBARN C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C[C@@H](C)O2 ZINC000240412861 209895931 /nfs/dbraw/zinc/89/59/31/209895931.db2.gz FOKNPJBIPBNRMB-SNUQEOBHSA-N 0 0 373.413 2.163 50 5 FEBARN Cc1cc(CN(C)C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)no1 ZINC000025136820 539749442 /nfs/dbraw/zinc/74/94/42/539749442.db2.gz DEIHHAVGWHJYLU-UHFFFAOYSA-N 0 0 374.353 2.238 50 5 FEBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cccnc1N1CCOCC1 ZINC000030312738 539878953 /nfs/dbraw/zinc/87/89/53/539878953.db2.gz HTWLPMLTLLODEF-VOTSOKGWSA-N 0 0 368.393 2.156 50 5 FEBARN Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1[N+](=O)[O-] ZINC000025525192 209740264 /nfs/dbraw/zinc/74/02/64/209740264.db2.gz FCLWXWMVYRHUFB-MRXNPFEDSA-N 0 0 352.354 2.312 50 5 FEBARN Cc1ccc(C(=O)N2CCN(Cn3nc(C)c([N+](=O)[O-])c3C)CC2)s1 ZINC000055035287 209625409 /nfs/dbraw/zinc/62/54/09/209625409.db2.gz GJAKILVCLJZASN-UHFFFAOYSA-N 0 0 363.443 2.194 50 5 FEBARN O=C(COc1cccnc1[N+](=O)[O-])NCC1(c2ccccc2)CCOCC1 ZINC000053443257 209568915 /nfs/dbraw/zinc/56/89/15/209568915.db2.gz FUGBPLVKXZCGDV-UHFFFAOYSA-N 0 0 371.393 2.233 50 5 FEBARN Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000056071946 540699605 /nfs/dbraw/zinc/69/96/05/540699605.db2.gz LCGVUGOSQOQEGM-NSHDSACASA-N 0 0 352.416 2.023 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1N(C[C@@H]1CO1)S(=O)(=O)c1ccccc1 ZINC000000864111 209378761 /nfs/dbraw/zinc/37/87/61/209378761.db2.gz UIWRFGGKGJLEQH-CYBMUJFWSA-N 0 0 364.379 2.198 50 5 FEBARN COC(=O)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000058342286 540839866 /nfs/dbraw/zinc/83/98/66/540839866.db2.gz FPSMEKJYHPNVCV-QGZVFWFLSA-N 0 0 373.365 2.046 50 5 FEBARN CNC(=O)[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000058180304 540832320 /nfs/dbraw/zinc/83/23/20/540832320.db2.gz OMXIGJZYTRMSRX-SFHVURJKSA-N 0 0 370.409 2.309 50 5 FEBARN CCCCn1c(=N)c(C(=O)NC(C)C)cc2c1nc1c(C)cccn1c2=O ZINC000101156622 209221715 /nfs/dbraw/zinc/22/17/15/209221715.db2.gz VXQNBOTZGYZFFZ-UHFFFAOYSA-N 0 0 367.453 2.375 50 5 FEBARN CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(C2CCCC2)c1=N ZINC000100627854 209216308 /nfs/dbraw/zinc/21/63/08/209216308.db2.gz MUQGTQKQPIOHDK-UHFFFAOYSA-N 0 0 365.437 2.302 50 5 FEBARN CCCc1n[nH]c(C(=O)NCCc2cn3cccc(C)c3n2)c1[N+](=O)[O-] ZINC000072309354 541798287 /nfs/dbraw/zinc/79/82/87/541798287.db2.gz GJKOPVXTYREEPU-UHFFFAOYSA-N 0 0 356.386 2.199 50 5 FEBARN CC(C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3N=NN1c1ccccc1[N+](=O)[O-] ZINC000245234371 206787800 /nfs/dbraw/zinc/78/78/00/206787800.db2.gz ANHVUSZOMDZTPV-WUZBVLBZSA-N 0 0 369.381 2.179 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000003901399 206993397 /nfs/dbraw/zinc/99/33/97/206993397.db2.gz KLBRWFJFRLHQNM-UHFFFAOYSA-N 0 0 350.352 2.110 50 5 FEBARN COc1ccc(OC[C@@H](O)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004600614 207032583 /nfs/dbraw/zinc/03/25/83/207032583.db2.gz CRJCBGJKYLPKCU-HNNXBMFYSA-N 0 0 360.366 2.115 50 5 FEBARN Cc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000004974111 207068491 /nfs/dbraw/zinc/06/84/91/207068491.db2.gz MLKRKPPFPNLNFT-UHFFFAOYSA-N 0 0 363.395 2.308 50 5 FEBARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000004913475 207061410 /nfs/dbraw/zinc/06/14/10/207061410.db2.gz RKYIPQKAHZQMDY-JSGCOSHPSA-N 0 0 360.366 2.195 50 5 FEBARN C[C@@H]1CCC[C@@H](NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000005061829 207077974 /nfs/dbraw/zinc/07/79/74/207077974.db2.gz QKAFZSLBGUKLRE-MGPQQGTHSA-N 0 0 364.398 2.458 50 5 FEBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 ZINC000005185638 207086743 /nfs/dbraw/zinc/08/67/43/207086743.db2.gz VZXPKCKSMQWWDG-LBPRGKRZSA-N 0 0 364.379 2.017 50 5 FEBARN COc1ccccc1Nc1nc(NC[C@H]2CCCO2)nc(N)c1[N+](=O)[O-] ZINC000005119486 207081674 /nfs/dbraw/zinc/08/16/74/207081674.db2.gz YIAJIGVIZWAYAT-SNVBAGLBSA-N 0 0 360.374 2.310 50 5 FEBARN O=C(Cc1ccccc1[N+](=O)[O-])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000005422567 207099867 /nfs/dbraw/zinc/09/98/67/207099867.db2.gz XYRKZDSSUIHPTP-UHFFFAOYSA-N 0 0 367.283 2.310 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1ccsc1 ZINC000005879776 207120075 /nfs/dbraw/zinc/12/00/75/207120075.db2.gz AODPAVBYNINEPI-UHFFFAOYSA-N 0 0 350.352 2.389 50 5 FEBARN C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccccc1 ZINC000006465353 207142191 /nfs/dbraw/zinc/14/21/91/207142191.db2.gz HHSGSJFGYUSLEV-GFCCVEGCSA-N 0 0 373.365 2.183 50 5 FEBARN C[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000006669971 207153161 /nfs/dbraw/zinc/15/31/61/207153161.db2.gz GWUBUKBNRGBOBP-NSHDSACASA-N 0 0 354.318 2.227 50 5 FEBARN CCc1cc2c(ncn(NC(=O)Cc3ccccc3[N+](=O)[O-])c2=O)s1 ZINC000006967277 207182005 /nfs/dbraw/zinc/18/20/05/207182005.db2.gz HCDIXKQMRMKRQG-UHFFFAOYSA-N 0 0 358.379 2.241 50 5 FEBARN Cc1cc(C)cc(OC[C@@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000007205234 207191199 /nfs/dbraw/zinc/19/11/99/207191199.db2.gz RTNFPCPWFSHFQS-ZDUSSCGKSA-N 0 0 370.361 2.248 50 5 FEBARN CNC(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1 ZINC000007255501 207192628 /nfs/dbraw/zinc/19/26/28/207192628.db2.gz OLTVDSKIVCPQFO-UHFFFAOYSA-N 0 0 367.408 2.414 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@@H]1CCCO1 ZINC000008055773 207217867 /nfs/dbraw/zinc/21/78/67/207217867.db2.gz WXJYFXSROAQDSS-ZDUSSCGKSA-N 0 0 369.443 2.360 50 5 FEBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1=COCCO1 ZINC000008143826 207221007 /nfs/dbraw/zinc/22/10/07/207221007.db2.gz VQMONFNAXCZRPP-UHFFFAOYSA-N 0 0 361.276 2.030 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O ZINC000008448375 207234286 /nfs/dbraw/zinc/23/42/86/207234286.db2.gz IRTZYMPBFFNFSE-UHFFFAOYSA-N 0 0 373.233 2.409 50 5 FEBARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cccc([N+](=O)[O-])c1 ZINC000011627837 207316276 /nfs/dbraw/zinc/31/62/76/207316276.db2.gz CDTVQGBGGVHZQK-GJZGRUSLSA-N 0 0 360.366 2.203 50 5 FEBARN O=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000016958484 207603644 /nfs/dbraw/zinc/60/36/44/207603644.db2.gz GZYULMYLNIYBDH-CQSZACIVSA-N 0 0 370.277 2.068 50 5 FEBARN O=C(C1CCCC1)N1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000032831478 208046901 /nfs/dbraw/zinc/04/69/01/208046901.db2.gz OGTYZBSWWYRBNB-UHFFFAOYSA-N 0 0 357.414 2.471 50 5 FEBARN COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000032770530 208041204 /nfs/dbraw/zinc/04/12/04/208041204.db2.gz MLRQHVPWNIAVSB-PHIMTYICSA-N 0 0 356.400 2.048 50 5 FEBARN Cc1ccc(CNC(=O)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032809360 208044854 /nfs/dbraw/zinc/04/48/54/208044854.db2.gz BPKQHDQNBINVQI-UHFFFAOYSA-N 0 0 368.393 2.292 50 5 FEBARN CNC(=O)c1ccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 ZINC000032932158 208058438 /nfs/dbraw/zinc/05/84/38/208058438.db2.gz MYBUXDJGGWDKDG-UHFFFAOYSA-N 0 0 367.365 2.333 50 5 FEBARN O=C(NCc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc([N+](=O)[O-])c1 ZINC000035537950 208130729 /nfs/dbraw/zinc/13/07/29/208130729.db2.gz HOSLFIVYAFBQEW-UHFFFAOYSA-N 0 0 368.305 2.304 50 5 FEBARN CCOc1ccc(CN2CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000047331221 208375550 /nfs/dbraw/zinc/37/55/50/208375550.db2.gz KSCGKIKYFDWFOX-UHFFFAOYSA-N 0 0 359.430 2.358 50 5 FEBARN COC(=O)c1cscc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000095457285 209054024 /nfs/dbraw/zinc/05/40/24/209054024.db2.gz ZKLWEOJWRJVIPN-UHFFFAOYSA-N 0 0 364.335 2.482 50 5 FEBARN O=[N+]([O-])c1cnc(N[C@@H](CCO)C2CCOCC2)c(Br)c1 ZINC000095943013 209087985 /nfs/dbraw/zinc/08/79/85/209087985.db2.gz BQWJCUONDKRUQU-LBPRGKRZSA-N 0 0 360.208 2.342 50 5 FEBARN CO[C@H](C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000048276525 136123154 /nfs/dbraw/zinc/12/31/54/136123154.db2.gz CVJHSKHFAUTYPL-SNVBAGLBSA-N 0 0 361.320 2.297 50 5 FEBARN O=[N+]([O-])c1cc(CN2CCN(c3ccccc3O)CC2)c2c(c1)COCO2 ZINC000057435577 136129365 /nfs/dbraw/zinc/12/93/65/136129365.db2.gz PRRHYGUEKZWCMD-UHFFFAOYSA-N 0 0 371.393 2.489 50 5 FEBARN C[N@+]12CC[C@]34c5ccccc5N[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3CC(=O)[O-])C2 ZINC000252695400 525358196 /nfs/dbraw/zinc/35/81/96/525358196.db2.gz ZKGBDMFTGPUHJP-YIPKKHAISA-O 0 0 367.469 2.387 50 5 FEBARN CC(=O)Nc1cccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000424751306 559675605 /nfs/dbraw/zinc/67/56/05/559675605.db2.gz IMVLQUSLDWRXAC-UHFFFAOYSA-N 0 0 354.366 2.076 50 5 FEBARN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CC1[N+](=O)[O-] ZINC000045939469 571054093 /nfs/dbraw/zinc/05/40/93/571054093.db2.gz QCFFKXBHGZFQAT-GXFFZTMASA-N 0 0 359.304 2.146 50 5 FEBARN CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccncc2)C1 ZINC000000879371 539334698 /nfs/dbraw/zinc/33/46/98/539334698.db2.gz MHBGBYNWVRXHEA-SFHVURJKSA-N 0 0 354.366 2.376 50 5 FEBARN CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 ZINC000001129066 539339390 /nfs/dbraw/zinc/33/93/90/539339390.db2.gz WMDKOQMETRHJRO-UHFFFAOYSA-N 0 0 361.379 2.169 50 5 FEBARN COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000002702719 539352190 /nfs/dbraw/zinc/35/21/90/539352190.db2.gz MSXRQFGZDSKMTK-CQSZACIVSA-N 0 0 361.379 2.418 50 5 FEBARN CCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003907170 539374304 /nfs/dbraw/zinc/37/43/04/539374304.db2.gz KQBOKXSMTVRXGT-CQSZACIVSA-N 0 0 358.358 2.214 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ccccn2)CC1 ZINC000005041360 539400532 /nfs/dbraw/zinc/40/05/32/539400532.db2.gz UPRIOZQFJHAXTI-UHFFFAOYSA-N 0 0 357.370 2.353 50 5 FEBARN COC(=O)c1ccccc1NC(=O)COc1cc([N+](=O)[O-])ccc1OC ZINC000006290779 539425270 /nfs/dbraw/zinc/42/52/70/539425270.db2.gz IHEYPZVFVDCDGJ-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN O=C(c1n[nH]c2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007949529 539472415 /nfs/dbraw/zinc/47/24/15/539472415.db2.gz DWUKBGXWPKMWIR-UHFFFAOYSA-N 0 0 351.366 2.434 50 5 FEBARN CN1CCN(c2ccc(C(=O)NCc3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000009220153 539499476 /nfs/dbraw/zinc/49/94/76/539499476.db2.gz LDSUNCQWKYGIJB-UHFFFAOYSA-N 0 0 354.410 2.277 50 5 FEBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCCOc1ccccc1 ZINC000009544610 539504055 /nfs/dbraw/zinc/50/40/55/539504055.db2.gz IEQQIQIDXDGZNG-UHFFFAOYSA-N 0 0 371.393 2.300 50 5 FEBARN Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2N)cccc1[N+](=O)[O-] ZINC000011668524 539532182 /nfs/dbraw/zinc/53/21/82/539532182.db2.gz CWZKQWWZNDVSQM-UHFFFAOYSA-N 0 0 374.382 2.199 50 5 FEBARN COc1cccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000019994090 539671783 /nfs/dbraw/zinc/67/17/83/539671783.db2.gz OLICENSHDCZALS-UHFFFAOYSA-N 0 0 356.382 2.351 50 5 FEBARN O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000024658069 539737180 /nfs/dbraw/zinc/73/71/80/539737180.db2.gz CZKMKFBDRYRSBX-UHFFFAOYSA-N 0 0 354.318 2.438 50 5 FEBARN COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn2ccccc2n1 ZINC000025324003 539756041 /nfs/dbraw/zinc/75/60/41/539756041.db2.gz PTLXDBKUCRVZBM-UHFFFAOYSA-N 0 0 369.381 2.231 50 5 FEBARN CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000026911565 539797685 /nfs/dbraw/zinc/79/76/85/539797685.db2.gz CGWDVRAXHLBNKV-UHFFFAOYSA-N 0 0 364.402 2.086 50 5 FEBARN Cc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 ZINC000001149623 219381087 /nfs/dbraw/zinc/38/10/87/219381087.db2.gz AVIPIXDCGZMDAA-UHFFFAOYSA-N 0 0 363.395 2.308 50 5 FEBARN NC(=O)c1ccc(NC[C@@H](c2ccccc2)N2CCOCC2)c([N+](=O)[O-])c1 ZINC000029525954 539855783 /nfs/dbraw/zinc/85/57/83/539855783.db2.gz AUZFPGSBFFQSNL-SFHVURJKSA-N 0 0 370.409 2.179 50 5 FEBARN O=C(Nc1ccc(N2CCNC(=O)C2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000032915396 539959468 /nfs/dbraw/zinc/95/94/68/539959468.db2.gz GLPWONWKNZSGDO-UHFFFAOYSA-N 0 0 374.784 2.437 50 5 FEBARN CN(C)c1ccc(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cn1 ZINC000052619150 540478791 /nfs/dbraw/zinc/47/87/91/540478791.db2.gz MBQUMFHGQNXDIM-UHFFFAOYSA-N 0 0 366.381 2.172 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000054991926 540620887 /nfs/dbraw/zinc/62/08/87/540620887.db2.gz NGJRYJUQUYLNMC-OAHLLOKOSA-N 0 0 365.455 2.257 50 5 FEBARN Cc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1C ZINC000011613810 209558874 /nfs/dbraw/zinc/55/88/74/209558874.db2.gz JDBYBSNRNGICHD-UHFFFAOYSA-N 0 0 364.379 2.419 50 5 FEBARN CCOC(=O)CN(C(C)C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000065547680 541244826 /nfs/dbraw/zinc/24/48/26/541244826.db2.gz VSGLDDUDDQZMHM-UHFFFAOYSA-N 0 0 358.416 2.174 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000100099789 209209178 /nfs/dbraw/zinc/20/91/78/209209178.db2.gz WYIXLIDPMAPGLL-OKILXGFUSA-N 0 0 357.366 2.183 50 5 FEBARN CCn1c(=N)c(C(=O)NC2CCCC2)cc2c1nc1c(C)cccn1c2=O ZINC000100627758 209214518 /nfs/dbraw/zinc/21/45/18/209214518.db2.gz CTNYJRWDBSJQAN-UHFFFAOYSA-N 0 0 365.437 2.129 50 5 FEBARN O=C(NCCN1CCOCC1)c1cc2c(ccc3ccccc32)oc1=O ZINC000016552249 220186006 /nfs/dbraw/zinc/18/60/06/220186006.db2.gz CAXDUJJFIHICMD-UHFFFAOYSA-N 0 0 352.390 2.008 50 5 FEBARN O=C(Nc1cccnc1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187972 206875963 /nfs/dbraw/zinc/87/59/63/206875963.db2.gz XTFZLQMNYZSEBC-UHFFFAOYSA-N 0 0 350.334 2.452 50 5 FEBARN O=C(CSc1[nH]c(=O)nc2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000004317077 207013006 /nfs/dbraw/zinc/01/30/06/207013006.db2.gz ZTGRAFILSQNHLQ-UHFFFAOYSA-N 0 0 360.395 2.288 50 5 FEBARN Cc1nn(CCCC(=O)NCc2nc3ccccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000004625680 207034163 /nfs/dbraw/zinc/03/41/63/207034163.db2.gz ZJDZISFJIXQMGK-UHFFFAOYSA-N 0 0 356.386 2.381 50 5 FEBARN CN(C)S(=O)(=O)c1cc2c(=O)nc3ccc(Cl)cn3c2cc1Cl ZINC000004776780 207047538 /nfs/dbraw/zinc/04/75/38/207047538.db2.gz VZXBPBBBNSXMGO-UHFFFAOYSA-N 0 0 372.233 2.405 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1Nc2ccccc2NC1=O ZINC000005660434 207110846 /nfs/dbraw/zinc/11/08/46/207110846.db2.gz UAHVLUASEMORTO-AWEZNQCLSA-N 0 0 356.338 2.365 50 5 FEBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccccc2)o1 ZINC000006059950 207127407 /nfs/dbraw/zinc/12/74/07/207127407.db2.gz GEENNEJZBDISGB-UHFFFAOYSA-N 0 0 368.305 2.440 50 5 FEBARN CC1CCC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000006085224 207127442 /nfs/dbraw/zinc/12/74/42/207127442.db2.gz RVEAYRJAEOCUBB-UHFFFAOYSA-N 0 0 351.428 2.481 50 5 FEBARN CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000006084637 207127962 /nfs/dbraw/zinc/12/79/62/207127962.db2.gz AGDGLKUOKZBLSK-UHFFFAOYSA-N 0 0 363.351 2.410 50 5 FEBARN COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 ZINC000006180975 207132060 /nfs/dbraw/zinc/13/20/60/207132060.db2.gz XXHFUPNFSGKQKQ-UHFFFAOYSA-N 0 0 374.309 2.108 50 5 FEBARN O=C(OCCOc1ccccc1F)c1cc([N+](=O)[O-])ccc1NCCO ZINC000006465312 207141847 /nfs/dbraw/zinc/14/18/47/207141847.db2.gz LANMOBOKPJNACU-UHFFFAOYSA-N 0 0 364.329 2.374 50 5 FEBARN Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ccccc2)n1 ZINC000007000055 207182844 /nfs/dbraw/zinc/18/28/44/207182844.db2.gz JBBMFABWUQUYQG-UHFFFAOYSA-N 0 0 370.321 2.477 50 5 FEBARN COc1cc2c(cc1OC)CN(C(=O)Cn1nc(C)c([N+](=O)[O-])c1C)CC2 ZINC000007005865 207184241 /nfs/dbraw/zinc/18/42/41/207184241.db2.gz CMERLVZOQMSTFC-UHFFFAOYSA-N 0 0 374.397 2.010 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(CO)cc1 ZINC000007429971 207195542 /nfs/dbraw/zinc/19/55/42/207195542.db2.gz RYTIJWWJQRLUBB-LLVKDONJSA-N 0 0 374.349 2.280 50 5 FEBARN O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1cccs1 ZINC000008401700 207232620 /nfs/dbraw/zinc/23/26/20/207232620.db2.gz JJSXKDGBQAVLFU-UHFFFAOYSA-N 0 0 353.787 2.470 50 5 FEBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000008456278 207233661 /nfs/dbraw/zinc/23/36/61/207233661.db2.gz AKGCXWWHXLYBRV-UHFFFAOYSA-N 0 0 358.222 2.212 50 5 FEBARN CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000008517470 207235463 /nfs/dbraw/zinc/23/54/63/207235463.db2.gz NFRQFMAMRHSJDP-UHFFFAOYSA-N 0 0 374.397 2.228 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1-n1ccnc1 ZINC000008745667 207246809 /nfs/dbraw/zinc/24/68/09/207246809.db2.gz KFIIFLYXIFIRGB-UHFFFAOYSA-N 0 0 350.400 2.345 50 5 FEBARN Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008720029 207243032 /nfs/dbraw/zinc/24/30/32/207243032.db2.gz ONYGWDGUMGHCMI-INIZCTEOSA-N 0 0 372.406 2.396 50 5 FEBARN CCN(CCCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1ccccc1 ZINC000009154437 207259509 /nfs/dbraw/zinc/25/95/09/207259509.db2.gz OKUYMNSDHAKTBJ-UHFFFAOYSA-N 0 0 359.430 2.441 50 5 FEBARN Cc1cccc(OC[C@@H](O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000009725718 207283705 /nfs/dbraw/zinc/28/37/05/207283705.db2.gz SJCFQERDAVGLKB-AWEZNQCLSA-N 0 0 355.350 2.053 50 5 FEBARN CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2cc(C)on2)c([N+](=O)[O-])c1 ZINC000012537555 207389730 /nfs/dbraw/zinc/38/97/30/207389730.db2.gz UCLCTHIBYUNZDE-ZDUSSCGKSA-N 0 0 366.399 2.141 50 5 FEBARN CCn1nccc1[C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015836564 207570405 /nfs/dbraw/zinc/57/04/05/207570405.db2.gz SNAPDPTVXYTPSN-CYBMUJFWSA-N 0 0 350.400 2.337 50 5 FEBARN Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000032935778 208060816 /nfs/dbraw/zinc/06/08/16/208060816.db2.gz CBJHWNNMRWJJOH-SNVBAGLBSA-N 0 0 372.834 2.368 50 5 FEBARN C[C@H](C(=O)N1CCc2ccccc21)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000039489489 208212541 /nfs/dbraw/zinc/21/25/41/208212541.db2.gz NMIJMPLKGMVTMC-LLVKDONJSA-N 0 0 365.345 2.169 50 5 FEBARN CS(=O)(=O)C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000089484176 208967499 /nfs/dbraw/zinc/96/74/99/208967499.db2.gz DKHQJMFGNYHHID-ZDUSSCGKSA-N 0 0 360.395 2.440 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC2([C@@H](O)C(C)C)CC2)c1C ZINC000095986822 209093496 /nfs/dbraw/zinc/09/34/96/209093496.db2.gz LXFWYLWKVZADEU-HNNXBMFYSA-N 0 0 356.444 2.287 50 5 FEBARN Cc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c([N+](=O)[O-])c1 ZINC000095481779 209059732 /nfs/dbraw/zinc/05/97/32/209059732.db2.gz CMWNNZWHUPWCTR-UHFFFAOYSA-N 0 0 362.323 2.372 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCSc2ccncc21 ZINC000079060937 132192641 /nfs/dbraw/zinc/19/26/41/132192641.db2.gz DDWJWRSNSGJAOX-UHFFFAOYSA-N 0 0 367.408 2.299 50 5 FEBARN O=[N+]([O-])c1c2nonc2c(N2CCOCC2)cc1Nc1ccccc1O ZINC000004116739 132386412 /nfs/dbraw/zinc/38/64/12/132386412.db2.gz NDPMCDKMIPITBX-UHFFFAOYSA-N 0 0 357.326 2.417 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 ZINC000009513765 263361673 /nfs/dbraw/zinc/36/16/73/263361673.db2.gz XTXLWVXOZGQPJU-UHFFFAOYSA-N 0 0 369.333 2.045 50 5 FEBARN Cc1nc(N2CCOCC2)nc(Oc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000009008197 518192800 /nfs/dbraw/zinc/19/28/00/518192800.db2.gz ROSXKOKWEKPYMD-UHFFFAOYSA-N 0 0 361.314 2.230 50 5 FEBARN COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)cc1Br ZINC000000718771 539332448 /nfs/dbraw/zinc/33/24/48/539332448.db2.gz FWYZKWZWVRHMPG-TVQRCGJNSA-N 0 0 359.176 2.063 50 5 FEBARN COc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)cc1Cl ZINC000000726750 539333390 /nfs/dbraw/zinc/33/33/90/539333390.db2.gz UZZWKTRZSJRDEL-UHFFFAOYSA-N 0 0 354.750 2.409 50 5 FEBARN COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)cc([N+](=O)[O-])c1 ZINC000002198305 539345555 /nfs/dbraw/zinc/34/55/55/539345555.db2.gz FVIRVQZWVIZYNM-UHFFFAOYSA-N 0 0 369.721 2.309 50 5 FEBARN Cc1c(NC(=O)c2ccco2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000001428416 539341841 /nfs/dbraw/zinc/34/18/41/539341841.db2.gz IJAWTAUBIIPZDQ-UHFFFAOYSA-N 0 0 359.338 2.221 50 5 FEBARN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n(Cc2cccc(C)c2)n1 ZINC000001431350 539342146 /nfs/dbraw/zinc/34/21/46/539342146.db2.gz QJOQWEVJWDGTCY-UHFFFAOYSA-N 0 0 354.370 2.292 50 5 FEBARN COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000002459180 539348753 /nfs/dbraw/zinc/34/87/53/539348753.db2.gz UXKRIFRARWHSDM-BXKDBHETSA-N 0 0 359.176 2.063 50 5 FEBARN O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002484208 539348943 /nfs/dbraw/zinc/34/89/43/539348943.db2.gz ARFSMMUHQYOWLM-UHFFFAOYSA-N 0 0 359.725 2.483 50 5 FEBARN COc1ccc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1 ZINC000002762930 539352799 /nfs/dbraw/zinc/35/27/99/539352799.db2.gz ZHYBTUCMAPKJHV-UHFFFAOYSA-N 0 0 356.338 2.371 50 5 FEBARN COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003068011 539360091 /nfs/dbraw/zinc/36/00/91/539360091.db2.gz ZGEFDHUCXNOQCG-UHFFFAOYSA-N 0 0 361.310 2.320 50 5 FEBARN O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccccc1F ZINC000003403800 539365437 /nfs/dbraw/zinc/36/54/37/539365437.db2.gz KQCHLTJTJOAQHC-UHFFFAOYSA-N 0 0 372.308 2.463 50 5 FEBARN CCN1CCN(c2nc(Nc3ccc(C)c(C)c3)nc(N)c2[N+](=O)[O-])CC1 ZINC000005025331 539400475 /nfs/dbraw/zinc/40/04/75/539400475.db2.gz FNMGVKIIWMNOLV-UHFFFAOYSA-N 0 0 371.445 2.469 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000005188789 539404241 /nfs/dbraw/zinc/40/42/41/539404241.db2.gz ZPGYYGLFMXIECS-UHFFFAOYSA-N 0 0 364.379 2.324 50 5 FEBARN CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000008055120 539475626 /nfs/dbraw/zinc/47/56/26/539475626.db2.gz BUUAURMUAHPIRI-CHWSQXEVSA-N 0 0 371.459 2.239 50 5 FEBARN Cc1nn(CC(=O)Nc2ccnn2Cc2cccs2)c(C)c1[N+](=O)[O-] ZINC000008877026 539493698 /nfs/dbraw/zinc/49/36/98/539493698.db2.gz BMKNPRKUFXHQET-UHFFFAOYSA-N 0 0 360.399 2.353 50 5 FEBARN COCC(=O)Nc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000012825098 539576071 /nfs/dbraw/zinc/57/60/71/539576071.db2.gz JUXGOZYLMOKZFQ-UHFFFAOYSA-N 0 0 359.338 2.441 50 5 FEBARN NC(=O)c1ccccc1OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000016759178 539636721 /nfs/dbraw/zinc/63/67/21/539636721.db2.gz BVBKDXODHJZRQE-UHFFFAOYSA-N 0 0 355.350 2.052 50 5 FEBARN O=C(CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCc1ccco1 ZINC000024180590 539727624 /nfs/dbraw/zinc/72/76/24/539727624.db2.gz YIWPAVKUIGTJAG-UHFFFAOYSA-N 0 0 369.333 2.494 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c(C)c1[N+](=O)[O-] ZINC000024535812 539733974 /nfs/dbraw/zinc/73/39/74/539733974.db2.gz LHSVPEABLFBNKE-INIZCTEOSA-N 0 0 358.398 2.365 50 5 FEBARN Cc1cc(=O)c(C(=O)NCc2cccs2)nn1-c1ccccc1[N+](=O)[O-] ZINC000024643355 539736179 /nfs/dbraw/zinc/73/61/79/539736179.db2.gz TVKQZSGKPWDEBL-UHFFFAOYSA-N 0 0 370.390 2.441 50 5 FEBARN Cc1nn(CC(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000024987463 539746132 /nfs/dbraw/zinc/74/61/32/539746132.db2.gz LBVYDGNDNDHHBC-OAHLLOKOSA-N 0 0 371.397 2.038 50 5 FEBARN CNc1ccc(C(=O)c2ccccc2C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000028267928 539828957 /nfs/dbraw/zinc/82/89/57/539828957.db2.gz GXVVUDBEPNAEHS-UHFFFAOYSA-N 0 0 369.377 2.340 50 5 FEBARN Cc1cccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1C ZINC000032923620 539959611 /nfs/dbraw/zinc/95/96/11/539959611.db2.gz CDPYIPTZZAAJPC-UHFFFAOYSA-N 0 0 370.409 2.334 50 5 FEBARN Cc1cccc(OCC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000032923617 539959692 /nfs/dbraw/zinc/95/96/92/539959692.db2.gz VGYAQGGMTUXNNI-UHFFFAOYSA-N 0 0 370.409 2.334 50 5 FEBARN COc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C2=O)c1 ZINC000037275937 539996043 /nfs/dbraw/zinc/99/60/43/539996043.db2.gz YKGLNJYAXVGVCT-ZDUSSCGKSA-N 0 0 369.377 2.481 50 5 FEBARN CNC(=O)c1ccc(Sc2nnc(CN3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000053551575 540542760 /nfs/dbraw/zinc/54/27/60/540542760.db2.gz XFQPELZKPBMTLO-UHFFFAOYSA-N 0 0 363.399 2.084 50 5 FEBARN CC(C)c1ccc(C(=O)N2CCN(Cn3nccc3[N+](=O)[O-])CC2)cc1 ZINC000054453957 540590441 /nfs/dbraw/zinc/59/04/41/540590441.db2.gz CDLFWLRNNUSNHK-UHFFFAOYSA-N 0 0 357.414 2.330 50 5 FEBARN COC(=O)CCN(CC(C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000055722279 540672803 /nfs/dbraw/zinc/67/28/03/540672803.db2.gz JEHSAZQLGKHUTE-UHFFFAOYSA-N 0 0 374.397 2.442 50 5 FEBARN Cc1nn(CN2CCC(C(=O)Nc3ccccn3)CC2)c(C)c1[N+](=O)[O-] ZINC000058167388 540830236 /nfs/dbraw/zinc/83/02/36/540830236.db2.gz RFBJPUFHMHZBGQ-UHFFFAOYSA-N 0 0 358.402 2.111 50 5 FEBARN COC(=O)COc1ccc(NC(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000048344216 209331162 /nfs/dbraw/zinc/33/11/62/209331162.db2.gz WQFCWENOKFCLMI-UHFFFAOYSA-N 0 0 359.338 2.468 50 5 FEBARN O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1nccs1 ZINC000096232351 209140789 /nfs/dbraw/zinc/14/07/89/209140789.db2.gz IWLKOUFRUOHNTN-UHFFFAOYSA-N 0 0 359.367 2.180 50 5 FEBARN Cc1nn(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Cl ZINC000002780843 206686665 /nfs/dbraw/zinc/68/66/65/206686665.db2.gz ZURCQDGCRSABAU-UHFFFAOYSA-N 0 0 372.834 2.430 50 5 FEBARN Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1CC(=O)Nc1ccc2c(c1)OCO2 ZINC000002786271 206934570 /nfs/dbraw/zinc/93/45/70/206934570.db2.gz ZMFITXSFJHFNAR-UHFFFAOYSA-N 0 0 372.259 2.486 50 5 FEBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(NC[C@@H]3CCCO3)n2)cc1 ZINC000004306157 207012614 /nfs/dbraw/zinc/01/26/14/207012614.db2.gz WCTYWDMAAFIPFF-ZDUSSCGKSA-N 0 0 358.402 2.478 50 5 FEBARN CC(=O)NC(NNc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F ZINC000004452564 207019577 /nfs/dbraw/zinc/01/95/77/207019577.db2.gz HHJHWNXMLYURII-UHFFFAOYSA-N 0 0 360.214 2.468 50 5 FEBARN COc1ccc(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1OC ZINC000004433870 207019727 /nfs/dbraw/zinc/01/97/27/207019727.db2.gz MPXPUNLADWZHQE-UHFFFAOYSA-N 0 0 370.317 2.091 50 5 FEBARN Cn1ccc2c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cccc2c1=O ZINC000004584011 207030336 /nfs/dbraw/zinc/03/03/36/207030336.db2.gz RDBKWRFFTVKOSL-UHFFFAOYSA-N 0 0 353.334 2.464 50 5 FEBARN COc1cc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)c(OC)cc1Cl ZINC000004873975 207056599 /nfs/dbraw/zinc/05/65/99/207056599.db2.gz UGOBFTJQUGGHJP-UHFFFAOYSA-N 0 0 369.765 2.276 50 5 FEBARN CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccc(C)c(OC)c1 ZINC000004810909 207050095 /nfs/dbraw/zinc/05/00/95/207050095.db2.gz PNZBHFMHAUZKHS-CYBMUJFWSA-N 0 0 353.371 2.106 50 5 FEBARN COc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000004846350 207054189 /nfs/dbraw/zinc/05/41/89/207054189.db2.gz SFQNXCVPMDRWST-UHFFFAOYSA-N 0 0 370.361 2.345 50 5 FEBARN COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000004846291 207054793 /nfs/dbraw/zinc/05/47/93/207054793.db2.gz CTTIDOJWYHWMRK-UHFFFAOYSA-N 0 0 362.313 2.216 50 5 FEBARN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000004873065 207057606 /nfs/dbraw/zinc/05/76/06/207057606.db2.gz VVAXSHJYEWADGQ-UHFFFAOYSA-N 0 0 350.352 2.475 50 5 FEBARN CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000004913491 207061038 /nfs/dbraw/zinc/06/10/38/207061038.db2.gz RKYIPQKAHZQMDY-TZMCWYRMSA-N 0 0 360.366 2.195 50 5 FEBARN C[C@@H]1CCCC[C@@H]1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000005693772 207112747 /nfs/dbraw/zinc/11/27/47/207112747.db2.gz SONOSZANGSVWHP-OCCSQVGLSA-N 0 0 350.419 2.106 50 5 FEBARN COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000006278038 207135543 /nfs/dbraw/zinc/13/55/43/207135543.db2.gz CPCKUPBSBQIECI-UHFFFAOYSA-N 0 0 358.350 2.347 50 5 FEBARN CC1CCN(S(=O)(=O)c2ccc(SCCO)c([N+](=O)[O-])c2)CC1 ZINC000006653972 207152216 /nfs/dbraw/zinc/15/22/16/207152216.db2.gz VSQUBDJRDSSGCI-UHFFFAOYSA-N 0 0 360.457 2.100 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nc(-c2ccccc2)no1 ZINC000006758945 207161803 /nfs/dbraw/zinc/16/18/03/207161803.db2.gz MDAVIJCQIQISEB-UHFFFAOYSA-N 0 0 360.351 2.123 50 5 FEBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N(C)C ZINC000006866615 207172208 /nfs/dbraw/zinc/17/22/08/207172208.db2.gz AYIPSCLGNXVDIV-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN COC(=O)CCSc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000007156316 207188821 /nfs/dbraw/zinc/18/88/21/207188821.db2.gz YVKCHLFTWVISQW-UHFFFAOYSA-N 0 0 374.440 2.035 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NCCC1=CCCCC1 ZINC000007737243 207205346 /nfs/dbraw/zinc/20/53/46/207205346.db2.gz DHURUKOOHJKWNB-UHFFFAOYSA-N 0 0 356.382 2.311 50 5 FEBARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1c(C)c(C)ccc1[N+](=O)[O-] ZINC000009634483 207279619 /nfs/dbraw/zinc/27/96/19/207279619.db2.gz LYHVGCSZOZNULI-UHFFFAOYSA-N 0 0 365.415 2.237 50 5 FEBARN CCCCS(=O)(=O)c1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000011914786 207329196 /nfs/dbraw/zinc/32/91/96/207329196.db2.gz JIGTZFQNXFHEFK-UHFFFAOYSA-N 0 0 370.412 2.272 50 5 FEBARN CN(C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCS(=O)(=O)C1 ZINC000011851773 207326497 /nfs/dbraw/zinc/32/64/97/207326497.db2.gz VMLDWKIPZIESLU-ZDUSSCGKSA-N 0 0 364.379 2.114 50 5 FEBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000040139168 207971769 /nfs/dbraw/zinc/97/17/69/207971769.db2.gz VKDWPGRHKSFVDD-CQSZACIVSA-N 0 0 359.386 2.289 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000032771251 208040864 /nfs/dbraw/zinc/04/08/64/208040864.db2.gz ARJJEPZMSWCEDN-HNNXBMFYSA-N 0 0 366.370 2.496 50 5 FEBARN CC(=O)NCCN[C@@H](C(=O)Nc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000033039563 208068554 /nfs/dbraw/zinc/06/85/54/208068554.db2.gz FTVXCVWYEIOONB-GOSISDBHSA-N 0 0 370.409 2.309 50 5 FEBARN C[C@@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046737 208142170 /nfs/dbraw/zinc/14/21/70/208142170.db2.gz JYTRNMDZQMRGJH-HUUCEWRRSA-N 0 0 367.471 2.480 50 5 FEBARN O=c1c2cc3c(ccn(-c4ccncc4)c3=O)nc2ccn1C[C@H]1CCCO1 ZINC000038829116 208205515 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CCOC(=O)c1cnn(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C(F)F ZINC000520491126 562157501 /nfs/dbraw/zinc/15/75/01/562157501.db2.gz YARXXOQAXDJEPN-UHFFFAOYSA-N 0 0 368.296 2.053 50 5 FEBARN CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OC)c([N+](=O)[O-])c1 ZINC000000955819 539336132 /nfs/dbraw/zinc/33/61/32/539336132.db2.gz QCVGWYUNLAQPDP-CQSZACIVSA-N 0 0 359.342 2.047 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)c(C)c1[N+](=O)[O-] ZINC000002777888 539352912 /nfs/dbraw/zinc/35/29/12/539352912.db2.gz METDOOFWYYRSEZ-QWRGUYRKSA-N 0 0 362.386 2.299 50 5 FEBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)NC1CCCC1 ZINC000003386507 539365205 /nfs/dbraw/zinc/36/52/05/539365205.db2.gz JNVTVBHLSBBSGQ-UHFFFAOYSA-N 0 0 369.761 2.173 50 5 FEBARN C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000004835491 539393164 /nfs/dbraw/zinc/39/31/64/539393164.db2.gz MQIROFNSBRWJAC-LBPRGKRZSA-N 0 0 361.398 2.267 50 5 FEBARN C[C@@H]1CN(c2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005195338 539404681 /nfs/dbraw/zinc/40/46/81/539404681.db2.gz IJUGDVGBYOSIRX-CHWSQXEVSA-N 0 0 372.429 2.235 50 5 FEBARN CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006336436 539426020 /nfs/dbraw/zinc/42/60/20/539426020.db2.gz FQEOPEWNJGRTAM-UHFFFAOYSA-N 0 0 370.365 2.312 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H]1CCCO1 ZINC000008128168 539477773 /nfs/dbraw/zinc/47/77/73/539477773.db2.gz UIMNTCVSPCBWKJ-MRVPVSSYSA-N 0 0 354.306 2.479 50 5 FEBARN COc1ccc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000010252780 539514551 /nfs/dbraw/zinc/51/45/51/539514551.db2.gz JWJFRUGBOZTAHB-UHFFFAOYSA-N 0 0 364.379 2.188 50 5 FEBARN C[C@@H]1CN(c2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000013811261 539592221 /nfs/dbraw/zinc/59/22/21/539592221.db2.gz SCKSIWYTCQPREJ-TXEJJXNPSA-N 0 0 358.402 2.193 50 5 FEBARN Cc1cnc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cn1 ZINC000024743205 539739964 /nfs/dbraw/zinc/73/99/64/539739964.db2.gz FASDODIAFHNUDD-UHFFFAOYSA-N 0 0 361.789 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O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1ccc([N+](=O)[O-])cc1 ZINC000004546232 207026088 /nfs/dbraw/zinc/02/60/88/207026088.db2.gz FMYOHGGEDCVMNW-UHFFFAOYSA-N 0 0 370.390 2.494 50 5 FEBARN Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000004966477 207066214 /nfs/dbraw/zinc/06/62/14/207066214.db2.gz WGHBFDRZWJPGLA-UHFFFAOYSA-N 0 0 350.718 2.142 50 5 FEBARN CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)C1 ZINC000004977901 207068219 /nfs/dbraw/zinc/06/82/19/207068219.db2.gz LFDLSZPMOOMRAR-CQSZACIVSA-N 0 0 365.430 2.389 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc2c(c1)OCCO2 ZINC000004925362 207062315 /nfs/dbraw/zinc/06/23/15/207062315.db2.gz QDZSYNPGAMIRCT-UHFFFAOYSA-N 0 0 372.333 2.470 50 5 FEBARN CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(NC[C@H]2CCCO2)n1 ZINC000005025872 207073286 /nfs/dbraw/zinc/07/32/86/207073286.db2.gz IUDYUXQYERHXTL-CYBMUJFWSA-N 0 0 358.402 2.194 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1nnc(-c2ccccc2C)n1 ZINC000005326926 207095054 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O=C(c1ccccc1)c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000006923292 207178862 /nfs/dbraw/zinc/17/88/62/207178862.db2.gz ICNKTSXSNRRFEF-CQSZACIVSA-N 0 0 360.391 2.425 50 5 FEBARN O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000007718553 207203121 /nfs/dbraw/zinc/20/31/21/207203121.db2.gz WWKPIQCLFKGSEY-JKSUJKDBSA-N 0 0 373.390 2.207 50 5 FEBARN CON(C)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000007979071 207213697 /nfs/dbraw/zinc/21/36/97/207213697.db2.gz CDRIDDJHFPUPAB-RYUDHWBXSA-N 0 0 357.432 2.259 50 5 FEBARN CCOC(=O)CCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012137280 207341270 /nfs/dbraw/zinc/34/12/70/207341270.db2.gz XDLGAYDTMIOJOD-UHFFFAOYSA-N 0 0 359.791 2.405 50 5 FEBARN O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)c1ccco1 ZINC000012528140 207386114 /nfs/dbraw/zinc/38/61/14/207386114.db2.gz IQAAKUYBVSGZIO-OAHLLOKOSA-N 0 0 372.381 2.021 50 5 FEBARN COC(=O)c1ccc2c(c1)C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)O2 ZINC000022350905 207805240 /nfs/dbraw/zinc/80/52/40/207805240.db2.gz NJJIYXGLILOZAX-HNNXBMFYSA-N 0 0 356.334 2.115 50 5 FEBARN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000024748212 207875166 /nfs/dbraw/zinc/87/51/66/207875166.db2.gz IKJAHYSZWFISSP-SFHVURJKSA-N 0 0 355.394 2.398 50 5 FEBARN COCCNc1ccc(C(=O)N[C@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000031592882 208013544 /nfs/dbraw/zinc/01/35/44/208013544.db2.gz VPNAEIMHXOBPSW-AWEZNQCLSA-N 0 0 373.413 2.194 50 5 FEBARN COc1ccc(O)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000032947122 208060478 /nfs/dbraw/zinc/06/04/78/208060478.db2.gz SXBKSPWAUHLARM-UHFFFAOYSA-N 0 0 360.322 2.413 50 5 FEBARN O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)c2ccccc21 ZINC000036390418 208161326 /nfs/dbraw/zinc/16/13/26/208161326.db2.gz IACUOUOLJFTHNK-PXNSSMCTSA-N 0 0 363.373 2.328 50 5 FEBARN Cc1ccc(NC(=O)Cc2csc(N3CCNC3=O)n2)cc1[N+](=O)[O-] ZINC000040114912 208230532 /nfs/dbraw/zinc/23/05/32/208230532.db2.gz JFDHFAIVEUABHI-UHFFFAOYSA-N 0 0 361.383 2.071 50 5 FEBARN O=C(NCCCNc1ccccn1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000043885512 208309074 /nfs/dbraw/zinc/30/90/74/208309074.db2.gz VONXPXPNIXITHF-UHFFFAOYSA-N 0 0 358.402 2.203 50 5 FEBARN CN1CCN(C(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 ZINC000020177628 220318083 /nfs/dbraw/zinc/31/80/83/220318083.db2.gz OPRPTCMTGMLWTK-UHFFFAOYSA-N 0 0 373.457 2.104 50 5 FEBARN COc1ccc(CN2CCN(c3ccc(Cl)nn3)CC2)cc1[N+](=O)[O-] ZINC000089466071 132199862 /nfs/dbraw/zinc/19/98/62/132199862.db2.gz AUEQQHMFJIIUMJ-UHFFFAOYSA-N 0 0 363.805 2.369 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)C[C@H](C)O1 ZINC000012360895 132856458 /nfs/dbraw/zinc/85/64/58/132856458.db2.gz ZTAVCUIVQZYFDW-AOOOYVTPSA-N 0 0 362.365 2.463 50 5 FEBARN COC(=O)[C@@H]1CCCC[C@]1(C)NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000089919307 542773103 /nfs/dbraw/zinc/77/31/03/542773103.db2.gz SEZVLXRYHRZOJH-ZFWWWQNUSA-N 0 0 374.390 2.134 50 5 FEBARN CCCNC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057456095 136129334 /nfs/dbraw/zinc/12/93/34/136129334.db2.gz WEODUPPDBSKXGU-UHFFFAOYSA-N 0 0 374.363 2.262 50 5 FEBARN C[C@H](C(=O)N1CCCC1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000057897285 136130246 /nfs/dbraw/zinc/13/02/46/136130246.db2.gz DNMJJTSIOAJIEM-CYBMUJFWSA-N 0 0 366.849 2.381 50 5 FEBARN CC(=O)Nc1ccc2c(c1)s/c(=N/C(=O)c1ccc([N+](=O)[O-])o1)n2C ZINC000100823785 543025853 /nfs/dbraw/zinc/02/58/53/543025853.db2.gz HXHZTRKRPFPZMU-BMRADRMJSA-N 0 0 360.351 2.441 50 5 FEBARN CCn1c2ccccc2n(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1=N ZINC000334157758 523279585 /nfs/dbraw/zinc/27/95/85/523279585.db2.gz PPNGMEVAIDJMJY-UHFFFAOYSA-N 0 0 369.381 2.498 50 5 FEBARN C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C[C@@H](C)O2 ZINC000240412860 548884964 /nfs/dbraw/zinc/88/49/64/548884964.db2.gz FOKNPJBIPBNRMB-FHSNZYRGSA-N 0 0 373.413 2.163 50 5 FEBARN COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)cc1Br ZINC000000718772 539332503 /nfs/dbraw/zinc/33/25/03/539332503.db2.gz FWYZKWZWVRHMPG-RNCFNFMXSA-N 0 0 359.176 2.063 50 5 FEBARN COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000000805346 539334238 /nfs/dbraw/zinc/33/42/38/539334238.db2.gz QANIDQZQKVGLEK-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccncc2)C1 ZINC000000879378 539335156 /nfs/dbraw/zinc/33/51/56/539335156.db2.gz MHBGBYNWVRXHEA-GOSISDBHSA-N 0 0 354.366 2.376 50 5 FEBARN Cc1nn(Cc2nnc(SCC(=O)C(C)(C)C)n2C)c(C)c1[N+](=O)[O-] ZINC000001038227 539337978 /nfs/dbraw/zinc/33/79/78/539337978.db2.gz POTQYHXBJPNTJK-UHFFFAOYSA-N 0 0 366.447 2.292 50 5 FEBARN O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc(-c3ccc(F)cc3)nn12 ZINC000001314723 539341134 /nfs/dbraw/zinc/34/11/34/539341134.db2.gz YIZWROATDPUJEO-ZROIWOOFSA-N 0 0 368.349 2.413 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(C)n1 ZINC000001430642 539341948 /nfs/dbraw/zinc/34/19/48/539341948.db2.gz YHOGVTBWRLGGOV-UHFFFAOYSA-N 0 0 354.164 2.204 50 5 FEBARN O=C(CCCn1cc([N+](=O)[O-])cn1)Nc1ccn(Cc2ccccc2)n1 ZINC000001430664 539342162 /nfs/dbraw/zinc/34/21/62/539342162.db2.gz FYDVYPJDQVHHPI-UHFFFAOYSA-N 0 0 354.370 2.455 50 5 FEBARN COc1ccc(OC[C@H](O)CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000002832768 539354746 /nfs/dbraw/zinc/35/47/46/539354746.db2.gz OLTBMPBSOPFACG-ZWIJEDICSA-N 0 0 372.377 2.173 50 5 FEBARN COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002827051 539354937 /nfs/dbraw/zinc/35/49/37/539354937.db2.gz WKOKKJIBICKLCD-UHFFFAOYSA-N 0 0 351.336 2.492 50 5 FEBARN NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000002858238 539354940 /nfs/dbraw/zinc/35/49/40/539354940.db2.gz PTUHDOXXKYCAQB-ZDUSSCGKSA-N 0 0 355.350 2.012 50 5 FEBARN Cn1c(=O)c([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2Cl)n(C)c1=O ZINC000004132116 539377934 /nfs/dbraw/zinc/37/79/34/539377934.db2.gz REUZMIPELDGBRZ-GQCTYLIASA-N 0 0 356.165 2.469 50 5 FEBARN Cc1ccn2c(c1)nc(SCC(=O)Nc1cccc([N+](=O)[O-])c1)nc2=O ZINC000004503851 539386378 /nfs/dbraw/zinc/38/63/78/539386378.db2.gz AOLIAFDGCISZLU-UHFFFAOYSA-N 0 0 371.378 2.037 50 5 FEBARN Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000005094066 539402069 /nfs/dbraw/zinc/40/20/69/539402069.db2.gz ZFYQPYMKFGHSJJ-UHFFFAOYSA-N 0 0 369.786 2.456 50 5 FEBARN COc1ccc(Nc2nc(N3CCN(C)CC3)nc(C)c2[N+](=O)[O-])cc1 ZINC000005276877 539407404 /nfs/dbraw/zinc/40/74/04/539407404.db2.gz MFRFIEXHWRPWLI-UHFFFAOYSA-N 0 0 358.402 2.197 50 5 FEBARN CCOC(=O)CCCNC(=O)CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000016695261 539636035 /nfs/dbraw/zinc/63/60/35/539636035.db2.gz GVFAQLGQAPQYLW-ZDUSSCGKSA-N 0 0 351.403 2.047 50 5 FEBARN CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC(=O)NC(C)C ZINC000016563569 539633422 /nfs/dbraw/zinc/63/34/22/539633422.db2.gz PKXQHMHCPJZJNZ-UHFFFAOYSA-N 0 0 356.810 2.033 50 5 FEBARN O=C(N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(Cl)(Cl)Cl ZINC000019993947 539671956 /nfs/dbraw/zinc/67/19/56/539671956.db2.gz RAAMCIFZOHPDPO-UHFFFAOYSA-N 0 0 353.593 2.009 50 5 FEBARN COc1ccc(CC(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000024151616 539726687 /nfs/dbraw/zinc/72/66/87/539726687.db2.gz PXSYUQDQXOBUEF-HNNXBMFYSA-N 0 0 360.366 2.004 50 5 FEBARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000024259519 539729003 /nfs/dbraw/zinc/72/90/03/539729003.db2.gz ZLZQWWLHOTXFCW-SFHVURJKSA-N 0 0 355.394 2.398 50 5 FEBARN C[C@H](OC(=O)CCCCC(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000225841226 209840740 /nfs/dbraw/zinc/84/07/40/209840740.db2.gz DJQLZCIIIIGVFT-JTQLQIEISA-N 0 0 362.342 2.295 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1COC(=O)CNC(=O)c1cccc(F)c1 ZINC000032876760 539957344 /nfs/dbraw/zinc/95/73/44/539957344.db2.gz XWFAPCOHPZHOLN-UHFFFAOYSA-N 0 0 362.313 2.216 50 5 FEBARN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)c1c([N+](=O)[O-])ncn1C ZINC000053583742 540544830 /nfs/dbraw/zinc/54/48/30/540544830.db2.gz BYWMIWQHMZYYSC-SNVBAGLBSA-N 0 0 374.319 2.223 50 5 FEBARN O=C(Cc1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1)Nc1ccccc1 ZINC000058166312 540830597 /nfs/dbraw/zinc/83/05/97/540830597.db2.gz YYQMIQBDMQZZKN-UHFFFAOYSA-N 0 0 370.390 2.443 50 5 FEBARN CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n([C@@H](C)CC)c1=N ZINC000100628101 209216515 /nfs/dbraw/zinc/21/65/15/209216515.db2.gz CFEIHLUBIOJPSQ-LBPRGKRZSA-N 0 0 353.426 2.158 50 5 FEBARN CC(C)(C)NC(=O)[C@H]1CCCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 ZINC000075110513 542153564 /nfs/dbraw/zinc/15/35/64/542153564.db2.gz BVJPPBNEZRFMDR-GFCCVEGCSA-N 0 0 362.434 2.233 50 5 FEBARN O=C(NCc1ccc2c(c1)OCO2)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001144013 206862325 /nfs/dbraw/zinc/86/23/25/206862325.db2.gz VQUKUVNJMPQPMJ-UHFFFAOYSA-N 0 0 368.301 2.360 50 5 FEBARN COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003092240 206957113 /nfs/dbraw/zinc/95/71/13/206957113.db2.gz LYQKHUHFPBAQKI-UHFFFAOYSA-N 0 0 361.310 2.320 50 5 FEBARN COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004135767 207003312 /nfs/dbraw/zinc/00/33/12/207003312.db2.gz HYMQARAMCNOPHN-NSHDSACASA-N 0 0 374.378 2.345 50 5 FEBARN COC(CNC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)OC ZINC000004660624 207035894 /nfs/dbraw/zinc/03/58/94/207035894.db2.gz XGDVFBDAEKLGCL-UHFFFAOYSA-N 0 0 351.403 2.324 50 5 FEBARN O=C1N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000005050385 207076299 /nfs/dbraw/zinc/07/62/99/207076299.db2.gz DLAFJJAYHSMLJE-CVEARBPZSA-N 0 0 373.390 2.207 50 5 FEBARN CCN1C(=O)C(=C(C)Nc2cccc([N+](=O)[O-])c2)C(=O)N(CC)C1=S ZINC000006585508 207147508 /nfs/dbraw/zinc/14/75/08/207147508.db2.gz LOXDRPNFUQHJGP-UHFFFAOYSA-N 0 0 362.411 2.276 50 5 FEBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000007766203 207206665 /nfs/dbraw/zinc/20/66/65/207206665.db2.gz URHGVLDIPRDTKX-UHFFFAOYSA-N 0 0 351.318 2.470 50 5 FEBARN Cc1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)c([N+](=O)[O-])c1 ZINC000008729266 207244820 /nfs/dbraw/zinc/24/48/20/207244820.db2.gz QGAQBZXPMRSUQF-CYBMUJFWSA-N 0 0 362.411 2.326 50 5 FEBARN CN(CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000008726097 207245212 /nfs/dbraw/zinc/24/52/12/207245212.db2.gz QBTSURVTDQOCMR-UHFFFAOYSA-N 0 0 366.381 2.042 50 5 FEBARN O=C(NCCCOC[C@H]1CCCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000008747204 207246435 /nfs/dbraw/zinc/24/64/35/207246435.db2.gz GXTOWFYYJAWBOK-OAHLLOKOSA-N 0 0 363.414 2.485 50 5 FEBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 ZINC000017075442 207610703 /nfs/dbraw/zinc/61/07/03/207610703.db2.gz HWSGBQVOFOAZGV-UHFFFAOYSA-N 0 0 367.452 2.163 50 5 FEBARN CC(C)C(=O)N1CCC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000023198119 207838694 /nfs/dbraw/zinc/83/86/94/207838694.db2.gz UMVZCQNRXHVREV-CQSZACIVSA-N 0 0 362.430 2.018 50 5 FEBARN COCCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000030596756 208002106 /nfs/dbraw/zinc/00/21/06/208002106.db2.gz WRKJGWUZJCRQJB-UHFFFAOYSA-N 0 0 358.416 2.183 50 5 FEBARN COCCNc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3C)cc1[N+](=O)[O-] ZINC000031592878 208013280 /nfs/dbraw/zinc/01/32/80/208013280.db2.gz VPNAEIMHXOBPSW-CQSZACIVSA-N 0 0 373.413 2.194 50 5 FEBARN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H](O)c1ccccc1 ZINC000045011582 208324424 /nfs/dbraw/zinc/32/44/24/208324424.db2.gz NRIWQUIAAFBBDL-QGZVFWFLSA-N 0 0 354.366 2.184 50 5 FEBARN C[C@H](OC(=O)c1cc(Cl)[nH]c(=O)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000096007137 209095450 /nfs/dbraw/zinc/09/54/50/209095450.db2.gz CEVWXONMDHQEDY-QMMMGPOBSA-N 0 0 365.729 2.121 50 5 FEBARN CC(C)(C)NS(=O)(=O)c1ccc(NCc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000095443186 209050811 /nfs/dbraw/zinc/05/08/11/209050811.db2.gz CJBKCPLUGSIOGD-UHFFFAOYSA-N 0 0 353.404 2.007 50 5 FEBARN CC(=O)Nc1cccc(NC(=O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)c1 ZINC000078824069 542483441 /nfs/dbraw/zinc/48/34/41/542483441.db2.gz INRCPXYTEXYHJM-UHFFFAOYSA-N 0 0 364.745 2.007 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000007528505 132259135 /nfs/dbraw/zinc/25/91/35/132259135.db2.gz VBJCXRUTJHUPKS-UHFFFAOYSA-N 0 0 356.382 2.026 50 5 FEBARN Cc1ccc(Nc2nc(N3CCN(C)CC3)nc(N)c2[N+](=O)[O-])cc1C ZINC000004306082 132386684 /nfs/dbraw/zinc/38/66/84/132386684.db2.gz VAQMFSCBXSAYAC-UHFFFAOYSA-N 0 0 357.418 2.079 50 5 FEBARN O=C(NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000007975423 132842213 /nfs/dbraw/zinc/84/22/13/132842213.db2.gz SDDBAGDHFBRMCN-UHFFFAOYSA-N 0 0 371.393 2.240 50 5 FEBARN Cc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)cc1[N+](=O)[O-] ZINC000057363954 136128968 /nfs/dbraw/zinc/12/89/68/136128968.db2.gz PDWOJMGCFQGKRW-UHFFFAOYSA-N 0 0 370.409 2.370 50 5 FEBARN CN(C)[S@@](=O)(=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000104668879 543136602 /nfs/dbraw/zinc/13/66/02/543136602.db2.gz HODHYVIZOMUJKS-QHCPKHFHSA-N 0 0 369.424 2.287 50 5 FEBARN CCC(CC)N(C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000040105141 535034964 /nfs/dbraw/zinc/03/49/64/535034964.db2.gz CGSHDZNHQVTHNN-UHFFFAOYSA-N 0 0 361.398 2.500 50 5 FEBARN CCCn1nnc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000006569884 535651439 /nfs/dbraw/zinc/65/14/39/535651439.db2.gz DEOXGUXENBKZMU-UHFFFAOYSA-N 0 0 359.390 2.234 50 5 FEBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000000673193 539332366 /nfs/dbraw/zinc/33/23/66/539332366.db2.gz DPHLKMVIOOVSQC-UHFFFAOYSA-N 0 0 352.372 2.285 50 5 FEBARN CCn1cc(Cl)c(CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000002804335 539353640 /nfs/dbraw/zinc/35/36/40/539353640.db2.gz KVSGMUYFDIAXSU-UHFFFAOYSA-N 0 0 358.807 2.285 50 5 FEBARN CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000002927074 539356541 /nfs/dbraw/zinc/35/65/41/539356541.db2.gz XLIDVEPYPSWKET-OAHLLOKOSA-N 0 0 363.370 2.145 50 5 FEBARN COc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000003443772 539366160 /nfs/dbraw/zinc/36/61/60/539366160.db2.gz LHSMNPCJPDQERN-UHFFFAOYSA-N 0 0 360.322 2.027 50 5 FEBARN Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1[N+](=O)[O-] ZINC000003592679 539371172 /nfs/dbraw/zinc/37/11/72/539371172.db2.gz OEFSJTVRTZIOBF-UHFFFAOYSA-N 0 0 374.397 2.342 50 5 FEBARN O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCC1=CCCCC1 ZINC000003602164 539372019 /nfs/dbraw/zinc/37/20/19/539372019.db2.gz KYZWRELOPSCNTC-UHFFFAOYSA-N 0 0 357.366 2.198 50 5 FEBARN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000004131090 539377777 /nfs/dbraw/zinc/37/77/77/539377777.db2.gz QHPKLQMZWGPHLW-UHFFFAOYSA-N 0 0 353.331 2.493 50 5 FEBARN Cc1ccn2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000004248498 539379573 /nfs/dbraw/zinc/37/95/73/539379573.db2.gz RIBZPBLAPCXUCZ-UHFFFAOYSA-N 0 0 360.395 2.072 50 5 FEBARN C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(C)(=O)=O ZINC000004687381 539390103 /nfs/dbraw/zinc/39/01/03/539390103.db2.gz RIQBFDIAGASXHZ-VIFPVBQESA-N 0 0 367.349 2.084 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000009515492 539504287 /nfs/dbraw/zinc/50/42/87/539504287.db2.gz SJKPGQWCFIGGHC-LLVKDONJSA-N 0 0 371.349 2.356 50 5 FEBARN COc1ccccc1NC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000009748175 539507765 /nfs/dbraw/zinc/50/77/65/539507765.db2.gz OBFRALWUKMQYBH-JTQLQIEISA-N 0 0 369.333 2.227 50 5 FEBARN Cc1cc(C(=O)N2C[C@@H](C(=O)N(C)C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000012768848 539572880 /nfs/dbraw/zinc/57/28/80/539572880.db2.gz XCXIIOVKWYNGIB-KRWDZBQOSA-N 0 0 369.377 2.399 50 5 FEBARN COc1ccc(OCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000012983120 539581234 /nfs/dbraw/zinc/58/12/34/539581234.db2.gz VAWDFYTZPROCRG-UHFFFAOYSA-N 0 0 373.365 2.429 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)OCCO2 ZINC000016085910 539626801 /nfs/dbraw/zinc/62/68/01/539626801.db2.gz HUGUCDHXJJZGHF-UHFFFAOYSA-N 0 0 364.379 2.153 50 5 FEBARN O=C(COc1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019373465 539656430 /nfs/dbraw/zinc/65/64/30/539656430.db2.gz BREAPJCGDPWRHO-UHFFFAOYSA-N 0 0 355.394 2.318 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NCC(=O)Nc2ccc(F)cc2)c1 ZINC000021615641 539685193 /nfs/dbraw/zinc/68/51/93/539685193.db2.gz IQUVKTLMVNMKLF-UHFFFAOYSA-N 0 0 361.329 2.176 50 5 FEBARN COc1ccc(C(=O)Nn2c(C)nc3sccc3c2=O)cc1[N+](=O)[O-] ZINC000021903974 539688964 /nfs/dbraw/zinc/68/89/64/539688964.db2.gz IINXENDTIZIYGJ-UHFFFAOYSA-N 0 0 360.351 2.067 50 5 FEBARN COc1ccc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1NC(C)=O ZINC000024214514 539728362 /nfs/dbraw/zinc/72/83/62/539728362.db2.gz DEZOFUFXYFCSNB-UHFFFAOYSA-N 0 0 369.337 2.313 50 5 FEBARN CCN(C(C)=O)c1nc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cs1 ZINC000025394079 539758819 /nfs/dbraw/zinc/75/88/19/539758819.db2.gz BXHDHLSDDTVRQD-UHFFFAOYSA-N 0 0 374.378 2.220 50 5 FEBARN C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(CCOc2ccccc2)C1=O ZINC000031659173 209846380 /nfs/dbraw/zinc/84/63/80/209846380.db2.gz JLAMXJAJJZQGQW-GOSISDBHSA-N 0 0 355.350 2.441 50 5 FEBARN O=C(NCc1ccc2c(c1)OCO2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031204880 209845964 /nfs/dbraw/zinc/84/59/64/209845964.db2.gz AJJDSGVSMSMCFC-UHFFFAOYSA-N 0 0 366.333 2.439 50 5 FEBARN O=C1CSC(=O)N1CN1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000035326960 539980561 /nfs/dbraw/zinc/98/05/61/539980561.db2.gz VSZMXIQIOUAKLB-UHFFFAOYSA-N 0 0 370.818 2.023 50 5 FEBARN Cc1cc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)ccc1[N+](=O)[O-] ZINC000040088383 540005663 /nfs/dbraw/zinc/00/56/63/540005663.db2.gz VXRBQLUSQGXPCA-UHFFFAOYSA-N 0 0 354.366 2.092 50 5 FEBARN Cc1n[nH]c(C(=O)NCCNc2ccccc2[N+](=O)[O-])c1Br ZINC000054675562 540601713 /nfs/dbraw/zinc/60/17/13/540601713.db2.gz JZYRGJVFXWAXLL-UHFFFAOYSA-N 0 0 368.191 2.231 50 5 FEBARN C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000006121875 209508211 /nfs/dbraw/zinc/50/82/11/209508211.db2.gz RUZHYPSTVYARCN-VIFPVBQESA-N 0 0 373.321 2.090 50 5 FEBARN COc1cccc(N2C[C@@H](NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2=O)c1 ZINC000004497124 209421432 /nfs/dbraw/zinc/42/14/32/209421432.db2.gz HQZOCQYZQKWLPI-AWEZNQCLSA-N 0 0 369.377 2.068 50 5 FEBARN CS(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000058016298 540827433 /nfs/dbraw/zinc/82/74/33/540827433.db2.gz RALPEDXSUQFSSL-UHFFFAOYSA-N 0 0 368.342 2.155 50 5 FEBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)Nc2ccc(O)cc2)c1 ZINC000058159768 540830304 /nfs/dbraw/zinc/83/03/04/540830304.db2.gz DIVWXVONPLJAAM-UHFFFAOYSA-N 0 0 361.379 2.391 50 5 FEBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000102440365 209235730 /nfs/dbraw/zinc/23/57/30/209235730.db2.gz YFAQJNGAFAMCIK-TXEJJXNPSA-N 0 0 363.345 2.238 50 5 FEBARN COc1ccc(C(N)=O)c(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000013011018 220053137 /nfs/dbraw/zinc/05/31/37/220053137.db2.gz OZUKPIVQRNGKNB-SNVBAGLBSA-N 0 0 359.338 2.108 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cn2ccsc2n1 ZINC000004248558 207009451 /nfs/dbraw/zinc/00/94/51/207009451.db2.gz MUMFGLGFHOWEAT-UHFFFAOYSA-N 0 0 366.424 2.133 50 5 FEBARN O=C(CCn1nnc2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004311320 207012556 /nfs/dbraw/zinc/01/25/56/207012556.db2.gz SFAGLVNNSWJJMX-UHFFFAOYSA-N 0 0 354.322 2.156 50 5 FEBARN CNc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000004509499 207024327 /nfs/dbraw/zinc/02/43/27/207024327.db2.gz DFZKXTLLPZYNJV-UHFFFAOYSA-N 0 0 369.377 2.378 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000004757089 207046798 /nfs/dbraw/zinc/04/67/98/207046798.db2.gz LSBPYNCQXJBSCD-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN CCCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=S)N=C(C)C1C(=O)OC ZINC000005102322 207081080 /nfs/dbraw/zinc/08/10/80/207081080.db2.gz KXKFZAZECOHCKS-CQSZACIVSA-N 0 0 365.411 2.349 50 5 FEBARN Cc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC000005635764 207109246 /nfs/dbraw/zinc/10/92/46/207109246.db2.gz ZJBNCHWDAWUNBA-UHFFFAOYSA-N 0 0 354.318 2.356 50 5 FEBARN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000006332164 207137269 /nfs/dbraw/zinc/13/72/69/207137269.db2.gz VGAWGXANCVLWFN-UHFFFAOYSA-N 0 0 372.337 2.053 50 5 FEBARN CN(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccco1 ZINC000006785631 207164772 /nfs/dbraw/zinc/16/47/72/207164772.db2.gz RSZARTOCTJYVRA-CQSZACIVSA-N 0 0 353.400 2.306 50 5 FEBARN CCOc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)c([N+](=O)[O-])c1 ZINC000006852139 207172491 /nfs/dbraw/zinc/17/24/91/207172491.db2.gz YUJFLSYUKIVANS-UHFFFAOYSA-N 0 0 368.349 2.342 50 5 FEBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000008512602 207235380 /nfs/dbraw/zinc/23/53/80/207235380.db2.gz SHYUGMCYVSHARP-KGLIPLIRSA-N 0 0 370.409 2.343 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccccc2)N1 ZINC000009192419 207260770 /nfs/dbraw/zinc/26/07/70/207260770.db2.gz CJNHSOVXQUKXBK-HNNXBMFYSA-N 0 0 367.365 2.198 50 5 FEBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2S(=O)(=O)N(C)C ZINC000009530761 207275395 /nfs/dbraw/zinc/27/53/95/207275395.db2.gz RIPWQCDJEPAEQL-UHFFFAOYSA-N 0 0 356.407 2.401 50 5 FEBARN Cn1ncc2c1ncnc2SCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000011678797 207318519 /nfs/dbraw/zinc/31/85/19/207318519.db2.gz KAFYIYZTZRNNOY-UHFFFAOYSA-N 0 0 359.367 2.430 50 5 FEBARN Cc1ccc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000017075058 207607808 /nfs/dbraw/zinc/60/78/08/207607808.db2.gz SAGLVTUYZJIWBE-UHFFFAOYSA-N 0 0 365.411 2.003 50 5 FEBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1nnc2ccccn21 ZINC000024333296 207864934 /nfs/dbraw/zinc/86/49/34/207864934.db2.gz SOVMONSXMVDKAP-UHFFFAOYSA-N 0 0 354.370 2.146 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000031776571 208018691 /nfs/dbraw/zinc/01/86/91/208018691.db2.gz GHGRHDKANPGXKQ-UHFFFAOYSA-N 0 0 373.394 2.344 50 5 FEBARN Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000032935776 208060085 /nfs/dbraw/zinc/06/00/85/208060085.db2.gz CBJHWNNMRWJJOH-JTQLQIEISA-N 0 0 372.834 2.368 50 5 FEBARN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1COc2ccccc2O1 ZINC000032994643 208063408 /nfs/dbraw/zinc/06/34/08/208063408.db2.gz BMAACQYDMDHLPP-INIZCTEOSA-N 0 0 358.306 2.145 50 5 FEBARN Cc1nn(C)cc1[C@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000036617319 208166566 /nfs/dbraw/zinc/16/65/66/208166566.db2.gz LZRDFGWSEPLBPZ-NSHDSACASA-N 0 0 354.370 2.313 50 5 FEBARN COc1cc(CCNc2cncc(-n3cccn3)n2)c([N+](=O)[O-])cc1OC ZINC000048234926 208392265 /nfs/dbraw/zinc/39/22/65/208392265.db2.gz PCUJYOYIFNRADD-UHFFFAOYSA-N 0 0 370.369 2.242 50 5 FEBARN O=C1CN(Cc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)CCN1 ZINC000057378921 208502558 /nfs/dbraw/zinc/50/25/58/208502558.db2.gz TVRJLLXIWDGZTG-UHFFFAOYSA-N 0 0 369.356 2.005 50 5 FEBARN C[C@H](OC(=O)[C@H]1CCCc2c[nH]nc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000095443970 209051487 /nfs/dbraw/zinc/05/14/87/209051487.db2.gz DJZIFCPMFNQPNV-HZMBPMFUSA-N 0 0 358.354 2.308 50 5 FEBARN C[C@@H](Cc1ccc(O)cc1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000079099091 542499856 /nfs/dbraw/zinc/49/98/56/542499856.db2.gz ROBYMWCAQMFLPM-LBPRGKRZSA-N 0 0 354.366 2.376 50 5 FEBARN CCS(=O)(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000082087346 542683421 /nfs/dbraw/zinc/68/34/21/542683421.db2.gz XMIZFOXYOUOKSC-UHFFFAOYSA-N 0 0 364.379 2.406 50 5 FEBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC2(C1)OCCO2 ZINC000083888792 542705506 /nfs/dbraw/zinc/70/55/06/542705506.db2.gz KJMIQZRTJTZIBC-GFCCVEGCSA-N 0 0 352.412 2.441 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@H]2COCC[C@@H]21 ZINC000084093092 542707495 /nfs/dbraw/zinc/70/74/95/542707495.db2.gz PRYDPFCTMGXDTE-GJZGRUSLSA-N 0 0 351.428 2.048 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2c(C)noc2C)CC1 ZINC000097054115 132227184 /nfs/dbraw/zinc/22/71/84/132227184.db2.gz OSIFDQZPDGCPNL-UHFFFAOYSA-N 0 0 374.397 2.308 50 5 FEBARN CN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)CC1 ZINC000004305939 132386647 /nfs/dbraw/zinc/38/66/47/132386647.db2.gz UXGWXVUGJJDGPT-UHFFFAOYSA-N 0 0 363.809 2.116 50 5 FEBARN CS(=O)(=O)C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1 ZINC000089484177 542765021 /nfs/dbraw/zinc/76/50/21/542765021.db2.gz DKHQJMFGNYHHID-CYBMUJFWSA-N 0 0 360.395 2.440 50 5 FEBARN CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000016446053 132881828 /nfs/dbraw/zinc/88/18/28/132881828.db2.gz YYQNDQZEOQNRIM-UHFFFAOYSA-N 0 0 354.410 2.380 50 5 FEBARN CN1CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000072190700 136143789 /nfs/dbraw/zinc/14/37/89/136143789.db2.gz PEMYYMJRUFTHIB-UHFFFAOYSA-N 0 0 369.377 2.276 50 5 FEBARN O=C(c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000138025878 544393952 /nfs/dbraw/zinc/39/39/52/544393952.db2.gz PLICCEFFPLGHFD-AWEZNQCLSA-N 0 0 359.725 2.401 50 5 FEBARN CCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1 ZINC000004953463 535206747 /nfs/dbraw/zinc/20/67/47/535206747.db2.gz GXANWVYKMCSJEL-UHFFFAOYSA-N 0 0 359.390 2.182 50 5 FEBARN COC(=O)COc1cc(OCC(=O)OC)c2c(c1)oc(=O)c1ccccc12 ZINC000000627651 539331695 /nfs/dbraw/zinc/33/16/95/539331695.db2.gz UBBASPITOLVCEV-UHFFFAOYSA-N 0 0 372.329 2.050 50 5 biogenic FEBARN CCOC(=O)c1ccccc1NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000676860 539332117 /nfs/dbraw/zinc/33/21/17/539332117.db2.gz ZBLGPSRDFWKWJN-UHFFFAOYSA-N 0 0 369.333 2.437 50 5 FEBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000000803004 539334032 /nfs/dbraw/zinc/33/40/32/539334032.db2.gz OZSDHSHUMMQUGA-UHFFFAOYSA-N 0 0 352.372 2.436 50 5 FEBARN CCOC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(C)(C)C)C1 ZINC000001214507 539339870 /nfs/dbraw/zinc/33/98/70/539339870.db2.gz PHPLUBKNUXMVRE-QGZVFWFLSA-N 0 0 363.370 2.095 50 5 FEBARN O=C(Cn1nc([N+](=O)[O-])nc1Br)Nc1ccc(Cl)cc1 ZINC000001433045 539341665 /nfs/dbraw/zinc/34/16/65/539341665.db2.gz USMCVWUGLKNDLS-UHFFFAOYSA-N 0 0 360.555 2.241 50 5 FEBARN Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n(Cc2ccc(F)cc2)n1 ZINC000001429224 539342151 /nfs/dbraw/zinc/34/21/51/539342151.db2.gz PICFYQORZVJAOV-UHFFFAOYSA-N 0 0 358.333 2.122 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000002702791 539351630 /nfs/dbraw/zinc/35/16/30/539351630.db2.gz QSYDMUCJFPWCKP-NOZJJQNGSA-N 0 0 361.379 2.416 50 5 FEBARN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc2c(c1)OCCO2 ZINC000002730913 539352033 /nfs/dbraw/zinc/35/20/33/539352033.db2.gz OEKMAEVSFJHZKW-UHFFFAOYSA-N 0 0 352.734 2.245 50 5 FEBARN CN(Cc1cccs1)C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000003442461 539365919 /nfs/dbraw/zinc/36/59/19/539365919.db2.gz QECNJTNORJMXFF-UHFFFAOYSA-N 0 0 358.379 2.025 50 5 FEBARN COc1ccc(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000003442431 539366123 /nfs/dbraw/zinc/36/61/23/539366123.db2.gz ZYAVTEDRCPMHKA-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN COc1ccc(NC(=O)C[C@H]2Nc3ccccc3NC2=O)c([N+](=O)[O-])c1 ZINC000003886809 539373804 /nfs/dbraw/zinc/37/38/04/539373804.db2.gz HCBSRZHTVDRUSR-CQSZACIVSA-N 0 0 356.338 2.365 50 5 FEBARN COc1ccc(Nc2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005091074 539402839 /nfs/dbraw/zinc/40/28/39/539402839.db2.gz LKBRWXBUZZEMBX-QWRGUYRKSA-N 0 0 374.401 2.333 50 5 FEBARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000005658608 539415201 /nfs/dbraw/zinc/41/52/01/539415201.db2.gz VZMKIPUNBFIVQN-UHFFFAOYSA-N 0 0 354.322 2.126 50 5 FEBARN Cc1ccc(OCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000005688304 539414935 /nfs/dbraw/zinc/41/49/35/539414935.db2.gz OWDKGQCCHBYOKL-UHFFFAOYSA-N 0 0 351.384 2.042 50 5 FEBARN Cc1ccc(OCC(=O)NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000007465887 539459011 /nfs/dbraw/zinc/45/90/11/539459011.db2.gz ZPOLRUDEBVUOOG-CYBMUJFWSA-N 0 0 358.350 2.238 50 5 FEBARN Cc1noc(C)c1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000007735754 539466201 /nfs/dbraw/zinc/46/62/01/539466201.db2.gz UGTOHEXEVPMGBM-UHFFFAOYSA-N 0 0 361.354 2.393 50 5 FEBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nnc(-c3ccccc3)n12 ZINC000013552160 539587549 /nfs/dbraw/zinc/58/75/49/539587549.db2.gz IWDXGFXMWBETEP-GXDHUFHOSA-N 0 0 350.359 2.274 50 5 FEBARN COc1ccccc1NC(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000014198881 539599224 /nfs/dbraw/zinc/59/92/24/539599224.db2.gz TXICNFMCAGZBMY-UHFFFAOYSA-N 0 0 374.305 2.128 50 5 FEBARN O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1 ZINC000017246607 539640539 /nfs/dbraw/zinc/64/05/39/539640539.db2.gz YFHPUVKLNNIWNG-UHFFFAOYSA-N 0 0 367.394 2.423 50 5 FEBARN CN(C[C@H]1COc2ccccc2O1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000018188308 539647869 /nfs/dbraw/zinc/64/78/69/539647869.db2.gz VXYQGYBRDOSRJA-ZDUSSCGKSA-N 0 0 358.350 2.272 50 5 FEBARN Cc1cc(C)c(NC(=O)CNC(=O)COc2cccnc2[N+](=O)[O-])c(C)c1 ZINC000023467115 539714881 /nfs/dbraw/zinc/71/48/81/539714881.db2.gz NJZULABYAPKQHD-UHFFFAOYSA-N 0 0 372.381 2.049 50 5 FEBARN COC(=O)c1cc(C(=O)NCCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 ZINC000024074143 539725448 /nfs/dbraw/zinc/72/54/48/539725448.db2.gz UZBQAJIBKFXAOL-UHFFFAOYSA-N 0 0 372.333 2.083 50 5 FEBARN CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000024732901 539739276 /nfs/dbraw/zinc/73/92/76/539739276.db2.gz JAXUDEIBVFHGRP-CYBMUJFWSA-N 0 0 350.371 2.084 50 5 FEBARN Cc1cccc(C)c1OC[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000058421713 209862683 /nfs/dbraw/zinc/86/26/83/209862683.db2.gz HJJMZYCFTKCOTH-OAHLLOKOSA-N 0 0 369.377 2.361 50 5 FEBARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000015379307 209596054 /nfs/dbraw/zinc/59/60/54/209596054.db2.gz SFLHTNQUKHMMFQ-UHFFFAOYSA-N 0 0 367.317 2.232 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000054991781 540620855 /nfs/dbraw/zinc/62/08/55/540620855.db2.gz LDFXJTXXVZTHRV-HNNXBMFYSA-N 0 0 365.455 2.257 50 5 FEBARN O=[N+]([O-])c1cc(COn2nnc3ccc(Cl)cc32)c2c(c1)COCO2 ZINC000003315145 209402728 /nfs/dbraw/zinc/40/27/28/209402728.db2.gz AMGRFGHSZJVJDL-UHFFFAOYSA-N 0 0 362.729 2.488 50 5 FEBARN O=C(Cc1ccccc1)NCC1N=NC(=S)N1c1ccc([N+](=O)[O-])cc1 ZINC000004059254 209409166 /nfs/dbraw/zinc/40/91/66/209409166.db2.gz XOSCRLMJTGLNJK-UHFFFAOYSA-N 0 0 369.406 2.323 50 5 FEBARN Cc1nn(C)c(NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000047331245 209328357 /nfs/dbraw/zinc/32/83/57/209328357.db2.gz FZYUVHOTKLDNMA-UHFFFAOYSA-N 0 0 371.319 2.497 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000043126801 209273392 /nfs/dbraw/zinc/27/33/92/209273392.db2.gz DUYXSSJCGGPATI-UHFFFAOYSA-N 0 0 371.397 2.348 50 5 FEBARN CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100503327 209214944 /nfs/dbraw/zinc/21/49/44/209214944.db2.gz AGSMRMOFSMBDMQ-CQSZACIVSA-N 0 0 363.395 2.210 50 5 FEBARN O=C1C[C@H](N2CCc3ccccc3C2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000096299659 209150861 /nfs/dbraw/zinc/15/08/61/209150861.db2.gz DCLRQEYOQACJGG-KRWDZBQOSA-N 0 0 351.362 2.285 50 5 FEBARN COCCN(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)C1CC1 ZINC000096293798 209150269 /nfs/dbraw/zinc/15/02/69/209150269.db2.gz QRSJRGNFASRADU-UHFFFAOYSA-N 0 0 360.370 2.072 50 5 FEBARN O=c1n(-c2ccc(Br)cc2)cnn1-c1ncccc1[N+](=O)[O-] ZINC000001393910 206879185 /nfs/dbraw/zinc/87/91/85/206879185.db2.gz BYUQWGMUTWEUBP-UHFFFAOYSA-N 0 0 362.143 2.089 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)N(C)Cc3cnn(C)c3)o2)c(C)c1[N+](=O)[O-] ZINC000002780434 206933936 /nfs/dbraw/zinc/93/39/36/206933936.db2.gz OZOVPLFXKQPCLF-UHFFFAOYSA-N 0 0 372.385 2.055 50 5 FEBARN CCOC(=O)[C@H]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000002729419 206930857 /nfs/dbraw/zinc/93/08/57/206930857.db2.gz GLIUCFRHFXYASR-NSHDSACASA-N 0 0 366.370 2.027 50 5 FEBARN C[C@@H]1CN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 ZINC000003263519 206964015 /nfs/dbraw/zinc/96/40/15/206964015.db2.gz HBKIMBXYBDNGCT-NXEZZACHSA-N 0 0 356.762 2.041 50 5 FEBARN COC(=O)c1cc(OC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000003300454 206966974 /nfs/dbraw/zinc/96/69/74/206966974.db2.gz LVFIGZMVRFKPKF-UHFFFAOYSA-N 0 0 359.290 2.387 50 5 FEBARN CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004141157 207002793 /nfs/dbraw/zinc/00/27/93/207002793.db2.gz URZIMGXQAUOWGM-HNNXBMFYSA-N 0 0 363.370 2.191 50 5 FEBARN Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000004263277 207009405 /nfs/dbraw/zinc/00/94/05/207009405.db2.gz ZVIWAQMEFKAVPB-UHFFFAOYSA-N 0 0 364.379 2.419 50 5 FEBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)C1=NNC(=O)CC1 ZINC000004334271 207013917 /nfs/dbraw/zinc/01/39/17/207013917.db2.gz GJAAIDLLXLCMHE-UHFFFAOYSA-N 0 0 350.330 2.255 50 5 FEBARN O=C(Cc1ccccc1)NCCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004532687 207026173 /nfs/dbraw/zinc/02/61/73/207026173.db2.gz JGGHHSMRJOSHBH-UHFFFAOYSA-N 0 0 370.361 2.070 50 5 FEBARN COc1ccccc1OC[C@@H](O)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004681773 207038171 /nfs/dbraw/zinc/03/81/71/207038171.db2.gz MPQLNHWRKVGWEX-ZDUSSCGKSA-N 0 0 360.366 2.082 50 5 FEBARN Cc1c(NC(=O)c2ccco2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000004717690 207042027 /nfs/dbraw/zinc/04/20/27/207042027.db2.gz QROATPIVXIMXFX-UHFFFAOYSA-N 0 0 365.367 2.189 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005091057 207080809 /nfs/dbraw/zinc/08/08/09/207080809.db2.gz XCJDXWQNTMYUDS-NOZJJQNGSA-N 0 0 361.379 2.416 50 5 FEBARN Cc1nn(CC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)c1[N+](=O)[O-] ZINC000005268952 207090340 /nfs/dbraw/zinc/09/03/40/207090340.db2.gz XQBHFEMNWUCBDE-GFCCVEGCSA-N 0 0 368.397 2.471 50 5 FEBARN Cc1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000005278126 207091577 /nfs/dbraw/zinc/09/15/77/207091577.db2.gz VHHLLEZWQMGKKE-MRXNPFEDSA-N 0 0 357.366 2.277 50 5 FEBARN COc1ccccc1COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000005336292 207094482 /nfs/dbraw/zinc/09/44/82/207094482.db2.gz XFLVOCIYHLECGW-UHFFFAOYSA-N 0 0 365.363 2.364 50 5 FEBARN O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)c1ccccc1 ZINC000006011925 207126327 /nfs/dbraw/zinc/12/63/27/207126327.db2.gz ZENCTJSYQINGSG-UHFFFAOYSA-N 0 0 362.725 2.362 50 5 FEBARN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC(=O)NC(C)C ZINC000006507810 207144282 /nfs/dbraw/zinc/14/42/82/207144282.db2.gz JBXLOCLRHBQQIC-UHFFFAOYSA-N 0 0 356.810 2.033 50 5 FEBARN CNS(=O)(=O)c1ccc(NCCCOCc2ccco2)c([N+](=O)[O-])c1 ZINC000006650715 207151744 /nfs/dbraw/zinc/15/17/44/207151744.db2.gz SXPZWQHVLBHVJG-UHFFFAOYSA-N 0 0 369.399 2.115 50 5 FEBARN CCCCCCn1c(=O)[nH]c2nc3cc(NC(C)=O)c(C)cc3nc2c1=O ZINC000006733135 207158496 /nfs/dbraw/zinc/15/84/96/207158496.db2.gz MGOSPPTVMBEIDX-UHFFFAOYSA-N 0 0 369.425 2.480 50 5 FEBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000007421056 207195560 /nfs/dbraw/zinc/19/55/60/207195560.db2.gz YFSNGEXZUWPJDG-UHFFFAOYSA-N 0 0 368.353 2.041 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])OCc1nc2ccsc2c(=O)[nH]1 ZINC000007738718 207205199 /nfs/dbraw/zinc/20/51/99/207205199.db2.gz KNTUFGYUOHBXQH-UHFFFAOYSA-N 0 0 361.335 2.015 50 5 FEBARN Cc1cc(CNC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc(C)c1O ZINC000007781630 207207296 /nfs/dbraw/zinc/20/72/96/207207296.db2.gz GGOMCIMYGIEKBW-UHFFFAOYSA-N 0 0 364.379 2.452 50 5 FEBARN O=C(NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccncc1 ZINC000008186108 207222337 /nfs/dbraw/zinc/22/23/37/207222337.db2.gz QNSHYEYHQVPXEV-UHFFFAOYSA-N 0 0 362.301 2.084 50 5 FEBARN CCOC(=O)c1ccc(Cn2nc([N+](=O)[O-])nc2Br)cc1 ZINC000009142812 207257930 /nfs/dbraw/zinc/25/79/30/207257930.db2.gz UTOXPUWWSRRHKS-UHFFFAOYSA-N 0 0 355.148 2.174 50 5 FEBARN CCN(CC(=O)NC(C)(C)C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000009117765 207258227 /nfs/dbraw/zinc/25/82/27/207258227.db2.gz ZUFQQRRSYYGMNJ-UHFFFAOYSA-N 0 0 362.430 2.228 50 5 FEBARN CCC[C@@](C)(NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)OC ZINC000032788408 208043092 /nfs/dbraw/zinc/04/30/92/208043092.db2.gz GGHUCEMXFFURPA-FUTAKVPZSA-N 0 0 364.354 2.185 50 5 FEBARN C[C@@H]1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046735 208141719 /nfs/dbraw/zinc/14/17/19/208141719.db2.gz JYTRNMDZQMRGJH-CABCVRRESA-N 0 0 367.471 2.480 50 5 FEBARN Cc1nn(C)c2nc(C)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 ZINC000039548402 208210397 /nfs/dbraw/zinc/21/03/97/208210397.db2.gz JBQJPZAVTQWDJV-UHFFFAOYSA-N 0 0 368.397 2.335 50 5 FEBARN Cc1cc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)ccc1[N+](=O)[O-] ZINC000047167236 208373099 /nfs/dbraw/zinc/37/30/99/208373099.db2.gz OBMCTEYDTQSCCM-GOSISDBHSA-N 0 0 368.349 2.210 50 5 FEBARN O=C(c1ccccc1)c1ccc(N2CCOC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000095446151 132210961 /nfs/dbraw/zinc/21/09/61/132210961.db2.gz LCGFCLHNXRCMMA-INIZCTEOSA-N 0 0 356.378 2.413 50 5 FEBARN CNC(=O)c1ccc(N2CCN(CC(F)(F)F)CC2(C)C)c([N+](=O)[O-])c1 ZINC000095985542 132216589 /nfs/dbraw/zinc/21/65/89/132216589.db2.gz WFPAYECYSIWCPN-UHFFFAOYSA-N 0 0 374.363 2.417 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000004116676 132254141 /nfs/dbraw/zinc/25/41/41/132254141.db2.gz FDNZFZFBPJRRIL-UHFFFAOYSA-N 0 0 353.425 2.167 50 5 FEBARN O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000001426273 132381913 /nfs/dbraw/zinc/38/19/13/132381913.db2.gz YQXRTLWLDGOXIQ-UHFFFAOYSA-N 0 0 361.423 2.247 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1 ZINC000002906495 132384261 /nfs/dbraw/zinc/38/42/61/132384261.db2.gz XMBBWSBKBTZWCL-UHFFFAOYSA-N 0 0 357.366 2.449 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000004117517 132386397 /nfs/dbraw/zinc/38/63/97/132386397.db2.gz UWWLJGBLLVEGQY-UHFFFAOYSA-N 0 0 361.423 2.414 50 5 FEBARN COc1ccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000007771858 132841131 /nfs/dbraw/zinc/84/11/31/132841131.db2.gz SFDONWQDXZZBNJ-NSHDSACASA-N 0 0 371.349 2.356 50 5 FEBARN O=C(N[C@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000058726556 136132001 /nfs/dbraw/zinc/13/20/01/136132001.db2.gz VMARPCNPKKEVFP-INIZCTEOSA-N 0 0 369.377 2.295 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000107088399 543261193 /nfs/dbraw/zinc/26/11/93/543261193.db2.gz MRFKRSXMIDLDGF-STQMWFEESA-N 0 0 372.468 2.270 50 5 FEBARN O=c1cc(CO)oc([C@H](Nc2ccccn2)c2cccc([N+](=O)[O-])c2)c1O ZINC000020218797 527479504 /nfs/dbraw/zinc/47/95/04/527479504.db2.gz ZLMAQVGDJBXEEW-MRXNPFEDSA-N 0 0 369.333 2.342 50 5 FEBARN COc1ccc([N+](=O)[O-])c(NCCCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000170642722 546168061 /nfs/dbraw/zinc/16/80/61/546168061.db2.gz YLFQJDJLWFKLDL-UHFFFAOYSA-N 0 0 362.386 2.270 50 5 FEBARN CC(C)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@H]1[C@@H]3N=NN1c1ccc([N+](=O)[O-])cc1 ZINC000245256070 210211842 /nfs/dbraw/zinc/21/18/42/210211842.db2.gz NHLGERWOCKZJIX-TWHJKIGZSA-N 0 0 369.381 2.179 50 5 FEBARN COc1cc(C(=O)OCC(=O)N2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000002631962 539349619 /nfs/dbraw/zinc/34/96/19/539349619.db2.gz NPRARGZBJOROPP-UHFFFAOYSA-N 0 0 366.370 2.171 50 5 FEBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1 ZINC000002649103 539350729 /nfs/dbraw/zinc/35/07/29/539350729.db2.gz ZWSBZZCXINMZBP-BQYQJAHWSA-N 0 0 355.350 2.186 50 5 FEBARN CCn1cc([C@@H](C)NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c(C)n1 ZINC000002730137 539351656 /nfs/dbraw/zinc/35/16/56/539351656.db2.gz RTULEOXHCYIEGP-SECBINFHSA-N 0 0 354.798 2.237 50 5 FEBARN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000002785542 539352443 /nfs/dbraw/zinc/35/24/43/539352443.db2.gz FSYUAWVXBQDNNR-NWDGAFQWSA-N 0 0 362.386 2.322 50 5 FEBARN COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)c1O ZINC000003262701 539362094 /nfs/dbraw/zinc/36/20/94/539362094.db2.gz UALOHZQEIJIKES-JTQLQIEISA-N 0 0 360.322 2.493 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(C)c(=O)c2ccccc21 ZINC000003363459 539364435 /nfs/dbraw/zinc/36/44/35/539364435.db2.gz OXGFXUALWOADQA-UHFFFAOYSA-N 0 0 354.322 2.103 50 5 FEBARN CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000004141151 539377618 /nfs/dbraw/zinc/37/76/18/539377618.db2.gz FJJIQBMSVJEXLQ-OAHLLOKOSA-N 0 0 363.370 2.191 50 5 FEBARN NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004247045 539379582 /nfs/dbraw/zinc/37/95/82/539379582.db2.gz SFGQWHVONGJCQL-FVTZREDMSA-N 0 0 357.410 2.395 50 5 FEBARN Cc1ccn2cc(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000004248506 539379711 /nfs/dbraw/zinc/37/97/11/539379711.db2.gz BVRLMZWQXKALPJ-UHFFFAOYSA-N 0 0 374.422 2.380 50 5 FEBARN Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000004625597 539388977 /nfs/dbraw/zinc/38/89/77/539388977.db2.gz NMICBRUISSCFDA-UHFFFAOYSA-N 0 0 371.397 2.365 50 5 FEBARN Cc1nn([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000005798655 539417320 /nfs/dbraw/zinc/41/73/20/539417320.db2.gz KQYRRODYSOIZHX-HNNXBMFYSA-N 0 0 357.414 2.318 50 5 FEBARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)N1 ZINC000006394881 539426970 /nfs/dbraw/zinc/42/69/70/539426970.db2.gz ZXCFRGUOAKYJAF-RNCFNFMXSA-N 0 0 361.276 2.221 50 5 FEBARN COc1cccc(CNC(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000006946290 539441857 /nfs/dbraw/zinc/44/18/57/539441857.db2.gz PGOGUQKBUNPCMF-UHFFFAOYSA-N 0 0 358.350 2.385 50 5 FEBARN CCN(C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc(F)cc1 ZINC000007391330 539457553 /nfs/dbraw/zinc/45/75/53/539457553.db2.gz SFEIVQDJGSXTRF-UHFFFAOYSA-N 0 0 370.340 2.497 50 5 FEBARN CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C(=O)NC1=S ZINC000008914525 539494820 /nfs/dbraw/zinc/49/48/20/539494820.db2.gz DWBONYDMBKLTQK-MRXNPFEDSA-N 0 0 362.411 2.066 50 5 FEBARN O=C(CCn1ccnc1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000009318678 539500167 /nfs/dbraw/zinc/50/01/67/539500167.db2.gz AMIRHGAHNKCHAX-UHFFFAOYSA-N 0 0 371.319 2.429 50 5 FEBARN COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1[N+](=O)[O-] ZINC000000678744 219312527 /nfs/dbraw/zinc/31/25/27/219312527.db2.gz YKHJHHAKAIATSI-UHFFFAOYSA-N 0 0 355.306 2.082 50 5 FEBARN COC(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000032770552 539952059 /nfs/dbraw/zinc/95/20/59/539952059.db2.gz RZINAIFQAHPBPD-UHFFFAOYSA-N 0 0 356.400 2.383 50 5 FEBARN CC[C@@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040060200 540004977 /nfs/dbraw/zinc/00/49/77/540004977.db2.gz HAKBFOCDZLKEIP-IUODEOHRSA-N 0 0 369.443 2.053 50 5 FEBARN O=c1ccc(-c2ccccc2)nn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000040158402 540008771 /nfs/dbraw/zinc/00/87/71/540008771.db2.gz MJRQNXJKTDMHIU-INIZCTEOSA-N 0 0 367.361 2.258 50 5 FEBARN O=c1c2cc3c(ccn(-c4ccccc4)c3=O)nc2ccn1-c1cc[nH]n1 ZINC000040399074 540009746 /nfs/dbraw/zinc/00/97/46/540009746.db2.gz AOJUTPLAZUOAAK-UHFFFAOYSA-N 0 0 355.357 2.413 50 5 FEBARN Cc1nc(C2(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)no1 ZINC000046800155 540271258 /nfs/dbraw/zinc/27/12/58/540271258.db2.gz SCZXGSTWUKMHHM-UHFFFAOYSA-N 0 0 366.399 2.424 50 5 FEBARN C[C@@]1(c2ccccc2)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000047347110 540305322 /nfs/dbraw/zinc/30/53/22/540305322.db2.gz OFLALRAHZJOQLJ-SFHVURJKSA-N 0 0 355.350 2.441 50 5 FEBARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000005658630 219692675 /nfs/dbraw/zinc/69/26/75/219692675.db2.gz FVCXGKSZJRQSTQ-UHFFFAOYSA-N 0 0 354.322 2.126 50 5 FEBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000008225259 219852717 /nfs/dbraw/zinc/85/27/17/219852717.db2.gz HIWFRPFFEFHNTM-LLVKDONJSA-N 0 0 364.379 2.406 50 5 FEBARN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1 ZINC000010382739 219902925 /nfs/dbraw/zinc/90/29/25/219902925.db2.gz CSRDYGJIWUTONN-SNVBAGLBSA-N 0 0 364.383 2.125 50 5 FEBARN O=C(NCc1ccccc1CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000023955827 211399469 /nfs/dbraw/zinc/39/94/69/211399469.db2.gz LBMRZBWWWWUJAV-UHFFFAOYSA-N 0 0 355.394 2.357 50 5 FEBARN Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc([N+](=O)[O-])ccc21 ZINC000020481778 211284081 /nfs/dbraw/zinc/28/40/81/211284081.db2.gz MCXBLUSSHZTCQK-UHFFFAOYSA-N 0 0 369.381 2.033 50 5 FEBARN O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000020028659 211264367 /nfs/dbraw/zinc/26/43/67/211264367.db2.gz AHMPLVDLIDXPLB-UHFFFAOYSA-N 0 0 367.768 2.068 50 5 FEBARN O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000012994737 211017077 /nfs/dbraw/zinc/01/70/77/211017077.db2.gz JOSFTTZFTXSIIJ-UHFFFAOYSA-N 0 0 355.394 2.357 50 5 FEBARN COc1cccc(OCCN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000003101255 210449135 /nfs/dbraw/zinc/44/91/35/210449135.db2.gz LMHROEJNRCIKRY-UHFFFAOYSA-N 0 0 366.395 2.303 50 5 FEBARN NC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2 ZINC000001891917 210373279 /nfs/dbraw/zinc/37/32/79/210373279.db2.gz FGEXTZKFUQGGAF-UHFFFAOYSA-N 0 0 361.379 2.261 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1nnc([C@H]2CCCO2)s1 ZINC000001916438 210375146 /nfs/dbraw/zinc/37/51/46/210375146.db2.gz NOVOCAIAYKXXIV-LLVKDONJSA-N 0 0 350.356 2.315 50 5 FEBARN COc1ccc(C(=O)N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000019994093 220309216 /nfs/dbraw/zinc/30/92/16/220309216.db2.gz WPMHUNPTVWZUHV-UHFFFAOYSA-N 0 0 356.382 2.351 50 5 FEBARN COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(C)C2=O)cc1[N+](=O)[O-] ZINC000001162270 210327263 /nfs/dbraw/zinc/32/72/63/210327263.db2.gz BDRNJAWSRNNZCJ-SFHVURJKSA-N 0 0 356.334 2.040 50 5 FEBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(C)(=O)=O ZINC000001147549 210325917 /nfs/dbraw/zinc/32/59/17/210325917.db2.gz LKCZCUXRQCDGKI-GFCCVEGCSA-N 0 0 363.395 2.388 50 5 FEBARN CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000000844420 210278593 /nfs/dbraw/zinc/27/85/93/210278593.db2.gz UQEBYDDLNFUSJZ-LLVKDONJSA-N 0 0 359.260 2.328 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2ncncc2Cl)CC1 ZINC000225384617 132284409 /nfs/dbraw/zinc/28/44/09/132284409.db2.gz XUOZIKRFDMMABG-UHFFFAOYSA-N 0 0 365.752 2.140 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 ZINC000004115872 132386419 /nfs/dbraw/zinc/38/64/19/132386419.db2.gz VLDNONHKAVDNMX-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN C[C@H]1CN(c2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000005490183 132828489 /nfs/dbraw/zinc/82/84/89/132828489.db2.gz GABLLSFFWJWDSP-RYUDHWBXSA-N 0 0 358.402 2.349 50 5 FEBARN O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000005339178 263340232 /nfs/dbraw/zinc/34/02/32/263340232.db2.gz PMDPCCSFGJQRAN-UHFFFAOYSA-N 0 0 361.379 2.387 50 5 FEBARN O=C(COc1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000019774094 263376068 /nfs/dbraw/zinc/37/60/68/263376068.db2.gz GCWLFMHCCXZWQH-UHFFFAOYSA-N 0 0 355.394 2.318 50 5 FEBARN CCn1ncc(CN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C ZINC000020028673 523691895 /nfs/dbraw/zinc/69/18/95/523691895.db2.gz SFICUZCRMIAUTP-UHFFFAOYSA-N 0 0 357.414 2.078 50 5 FEBARN NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](Nc2ccccn2)CC1 ZINC000253428926 549688804 /nfs/dbraw/zinc/68/88/04/549688804.db2.gz LSLZWMRDZDQXBY-HAQNSBGRSA-N 0 0 356.386 2.319 50 5 FEBARN Cn1ncc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(=O)NCc1ccco1 ZINC000002795557 539354111 /nfs/dbraw/zinc/35/41/11/539354111.db2.gz YJGHKJLGWXMRFP-UHFFFAOYSA-N 0 0 369.337 2.104 50 5 FEBARN Cc1nn(CC(=O)Nc2sc(C(C)C)cc2C(N)=O)c(C)c1[N+](=O)[O-] ZINC000002760783 539351674 /nfs/dbraw/zinc/35/16/74/539351674.db2.gz CJIQDCDWUKSDNS-UHFFFAOYSA-N 0 0 365.415 2.331 50 5 FEBARN O=C1CCCN1c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000003346685 539363470 /nfs/dbraw/zinc/36/34/70/539363470.db2.gz WWSLCUXSTNOWHB-UHFFFAOYSA-N 0 0 353.381 2.011 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(O)cc1 ZINC000003507634 539368523 /nfs/dbraw/zinc/36/85/23/539368523.db2.gz MRIWXOYUQLVBQA-JTQLQIEISA-N 0 0 360.322 2.493 50 5 FEBARN Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)cccc1[N+](=O)[O-] ZINC000003595687 539371152 /nfs/dbraw/zinc/37/11/52/539371152.db2.gz IHJAFDWRMDFCRG-ADLMAVQZSA-N 0 0 374.397 2.342 50 5 FEBARN Cc1ccccc1COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000004313762 539381332 /nfs/dbraw/zinc/38/13/32/539381332.db2.gz MIHQDWAHQSHNKP-UHFFFAOYSA-N 0 0 354.318 2.243 50 5 FEBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccccc1 ZINC000004687388 539390207 /nfs/dbraw/zinc/39/02/07/539390207.db2.gz FFHYQHRQFNYPQQ-CQSZACIVSA-N 0 0 361.423 2.494 50 5 FEBARN CNS(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005041750 539400457 /nfs/dbraw/zinc/40/04/57/539400457.db2.gz IZYWMBWGPMHSQB-UHFFFAOYSA-N 0 0 350.356 2.147 50 5 FEBARN O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccccc1 ZINC000005068655 539401037 /nfs/dbraw/zinc/40/10/37/539401037.db2.gz GWFRJKYPALUFFQ-SFHVURJKSA-N 0 0 351.318 2.422 50 5 FEBARN Cc1nn(C)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000005587159 539412831 /nfs/dbraw/zinc/41/28/31/539412831.db2.gz UKPVEHDSFDPUMM-UHFFFAOYSA-N 0 0 353.791 2.417 50 5 FEBARN C[C@@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000006121878 539422705 /nfs/dbraw/zinc/42/27/05/539422705.db2.gz RUZHYPSTVYARCN-SECBINFHSA-N 0 0 373.321 2.090 50 5 FEBARN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006182942 539422880 /nfs/dbraw/zinc/42/28/80/539422880.db2.gz NXSDYYVEWVZUAL-NSHDSACASA-N 0 0 372.337 2.051 50 5 FEBARN Cc1nn([C@H](C)C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000006527475 539429535 /nfs/dbraw/zinc/42/95/35/539429535.db2.gz ICFUSKYBLDAKRP-MRVPVSSYSA-N 0 0 354.164 2.457 50 5 FEBARN Cc1noc(C)c1COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006944844 539442130 /nfs/dbraw/zinc/44/21/30/539442130.db2.gz GWDFHWNLMZDIQB-UHFFFAOYSA-N 0 0 367.745 2.326 50 5 FEBARN O=C1N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000007718548 539464520 /nfs/dbraw/zinc/46/45/20/539464520.db2.gz WWKPIQCLFKGSEY-CVEARBPZSA-N 0 0 373.390 2.207 50 5 FEBARN Nc1nc(Nc2ccc(Cl)cc2)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000009287696 539500274 /nfs/dbraw/zinc/50/02/74/539500274.db2.gz QQPBUQSNRWYKRC-UHFFFAOYSA-N 0 0 350.766 2.201 50 5 FEBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)NC[C@@H]2COc3ccccc3O2)c1 ZINC000009498361 539503416 /nfs/dbraw/zinc/50/34/16/539503416.db2.gz ZTJMYINQVJLZBD-CYBMUJFWSA-N 0 0 358.350 2.238 50 5 FEBARN CCN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000004800251 210106664 /nfs/dbraw/zinc/10/66/64/210106664.db2.gz HRNHRUOVHNFANF-UHFFFAOYSA-N 0 0 357.266 2.308 50 5 FEBARN Nc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000020413334 539674370 /nfs/dbraw/zinc/67/43/70/539674370.db2.gz DQBXZWYVJGJZIF-UHFFFAOYSA-N 0 0 361.789 2.188 50 5 FEBARN Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000024976138 539745157 /nfs/dbraw/zinc/74/51/57/539745157.db2.gz AFJBBIXEFZFNIJ-UHFFFAOYSA-N 0 0 367.431 2.375 50 5 FEBARN O=C(NCc1cccnc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030655098 539888656 /nfs/dbraw/zinc/88/86/56/539888656.db2.gz LDWLVZVCDXAZEW-UHFFFAOYSA-N 0 0 368.393 2.158 50 5 FEBARN Cc1c(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)cccc1[N+](=O)[O-] ZINC000032810449 539953349 /nfs/dbraw/zinc/95/33/49/539953349.db2.gz XHOSVKKEULDHKA-QGZVFWFLSA-N 0 0 369.377 2.399 50 5 FEBARN O=c1c2cc3c(ccn(-c4cc[nH]n4)c3=O)nc2ccn1Cc1ccco1 ZINC000040399062 540009811 /nfs/dbraw/zinc/00/98/11/540009811.db2.gz BBHNBCSUYKPPPU-UHFFFAOYSA-N 0 0 359.345 2.065 50 5 FEBARN COc1cccc(N2C[C@H](NC(=O)c3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000005194877 219659554 /nfs/dbraw/zinc/65/95/54/219659554.db2.gz SFTYEYILPPEDMI-GFCCVEGCSA-N 0 0 355.350 2.139 50 5 FEBARN Cc1nn(C)c(NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000058202129 540833488 /nfs/dbraw/zinc/83/34/88/540833488.db2.gz UQCXNLBSHIVYNF-AWEZNQCLSA-N 0 0 359.386 2.366 50 5 FEBARN Cc1ccc(NC(=S)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000013685935 220086282 /nfs/dbraw/zinc/08/62/82/220086282.db2.gz LYZHVMKTPORNDG-CVEARBPZSA-N 0 0 361.423 2.284 50 5 FEBARN CS(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000014370283 220123523 /nfs/dbraw/zinc/12/35/23/220123523.db2.gz HCODOJJKJRDCPZ-UHFFFAOYSA-N 0 0 374.418 2.460 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000014400744 220123607 /nfs/dbraw/zinc/12/36/07/220123607.db2.gz TZONBSBAGUUBJE-UHFFFAOYSA-N 0 0 350.352 2.475 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1-n1nnnc1C1(N2CCOCC2)CCCCC1 ZINC000075261060 542164363 /nfs/dbraw/zinc/16/43/63/542164363.db2.gz NYEZQYGEKXQVCP-UHFFFAOYSA-N 0 0 372.429 2.371 50 5 FEBARN Cc1ccc(C(=O)NCc2ccccc2Cn2cncn2)cc1[N+](=O)[O-] ZINC000040081407 211483951 /nfs/dbraw/zinc/48/39/51/211483951.db2.gz BFTAVUFTABOMQK-UHFFFAOYSA-N 0 0 351.366 2.473 50 5 FEBARN NC(=O)c1cc([N+](=O)[O-])cn(Cc2ncc(-c3cccc(Cl)c3)o2)c1=O ZINC000028190447 211479832 /nfs/dbraw/zinc/47/98/32/211479832.db2.gz ACGWKDVLWUUMBC-UHFFFAOYSA-N 0 0 374.740 2.212 50 5 FEBARN CCc1c(C(=O)NCc2ccnn2C)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000024650713 211410952 /nfs/dbraw/zinc/41/09/52/211410952.db2.gz FAHDWNPTQGPZIG-UHFFFAOYSA-N 0 0 354.370 2.006 50 5 FEBARN C[C@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 ZINC000022373747 211348509 /nfs/dbraw/zinc/34/85/09/211348509.db2.gz GDDVQEWVKQZPMT-NSHDSACASA-N 0 0 362.411 2.378 50 5 FEBARN CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccccc1Cl ZINC000019323828 211214978 /nfs/dbraw/zinc/21/49/78/211214978.db2.gz AYKKHIDHZMNXEN-UHFFFAOYSA-N 0 0 366.805 2.041 50 5 FEBARN CCOC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1N ZINC000016667384 211167125 /nfs/dbraw/zinc/16/71/25/211167125.db2.gz GWECAEFYWYGWFM-UHFFFAOYSA-N 0 0 365.327 2.203 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000015629674 211133990 /nfs/dbraw/zinc/13/39/90/211133990.db2.gz QIUJZYJIYKTTPX-UHFFFAOYSA-N 0 0 374.397 2.487 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1 ZINC000002851213 210430890 /nfs/dbraw/zinc/43/08/90/210430890.db2.gz GJXFUWCZEULFFI-UHFFFAOYSA-N 0 0 366.424 2.360 50 5 FEBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1c(F)cc(F)cc1Br ZINC000001428942 210351798 /nfs/dbraw/zinc/35/17/98/210351798.db2.gz XGDGVJCVZNXFGY-UHFFFAOYSA-N 0 0 361.102 2.471 50 5 FEBARN O=C(Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000001088725 210314799 /nfs/dbraw/zinc/31/47/99/210314799.db2.gz QCLHKJWRLYJLPS-AWEZNQCLSA-N 0 0 366.370 2.432 50 5 FEBARN COCc1c(C(=O)OC)nnn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001085877 210314146 /nfs/dbraw/zinc/31/41/46/210314146.db2.gz VTOIAHFMPUTWPD-UHFFFAOYSA-N 0 0 360.248 2.127 50 5 FEBARN COC(=O)c1c2c(sc1NC(=O)Cn1cc([N+](=O)[O-])cn1)CCCC2 ZINC000001071031 210313077 /nfs/dbraw/zinc/31/30/77/210313077.db2.gz JVNFWFTWNCJTJT-UHFFFAOYSA-N 0 0 364.383 2.157 50 5 FEBARN Cc1nc2ccccn2c(=O)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000009616822 210290222 /nfs/dbraw/zinc/29/02/22/210290222.db2.gz IJQKUFRCLFMQJX-UHFFFAOYSA-N 0 0 369.293 2.072 50 5 FEBARN O=[N+]([O-])c1c2nonc2c(Nc2ccc3c(c2)OCO3)cc1NCCCO ZINC000009434321 210280439 /nfs/dbraw/zinc/28/04/39/210280439.db2.gz WFFVAARVIGFCOP-UHFFFAOYSA-N 0 0 373.325 2.398 50 5 FEBARN COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)cc1OC ZINC000000826487 210277961 /nfs/dbraw/zinc/27/79/61/210277961.db2.gz MSZDLLJZDRQUHO-UHFFFAOYSA-N 0 0 354.750 2.409 50 5 FEBARN CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000049649844 221026089 /nfs/dbraw/zinc/02/60/89/221026089.db2.gz PFGOQWMDQDRHKR-GFCCVEGCSA-N 0 0 365.411 2.115 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 ZINC000010328002 132381889 /nfs/dbraw/zinc/38/18/89/132381889.db2.gz SMZXBVLPNGIBQA-UHFFFAOYSA-N 0 0 368.393 2.191 50 5 FEBARN CSc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-] ZINC000007779118 132841179 /nfs/dbraw/zinc/84/11/79/132841179.db2.gz QQXSARNOXVLXIF-UHFFFAOYSA-N 0 0 359.411 2.069 50 5 FEBARN Cc1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000025021630 132912835 /nfs/dbraw/zinc/91/28/35/132912835.db2.gz VJUWZGZTPXLVDW-UHFFFAOYSA-N 0 0 373.365 2.002 50 5 FEBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000058145613 136130574 /nfs/dbraw/zinc/13/05/74/136130574.db2.gz FKHZKRBDWXPIAM-CQSZACIVSA-N 0 0 370.409 2.450 50 5 FEBARN CS(=O)(=O)c1ccc(N2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000069371457 136138005 /nfs/dbraw/zinc/13/80/05/136138005.db2.gz DBTZFYIGZXOZJR-GFCCVEGCSA-N 0 0 362.411 2.172 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C[C@H](C)O)c1ccccc1 ZINC000095393878 542969379 /nfs/dbraw/zinc/96/93/79/542969379.db2.gz BZBCKVIWLVOLHR-ZDUSSCGKSA-N 0 0 350.396 2.479 50 5 FEBARN Cc1nc([C@H]2CN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)CCO2)no1 ZINC000095468239 542972419 /nfs/dbraw/zinc/97/24/19/542972419.db2.gz IBSGEZZIQDDCOB-CYBMUJFWSA-N 0 0 360.370 2.425 50 5 FEBARN Cc1nc2ccccc2n(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1=O ZINC000095943942 542983778 /nfs/dbraw/zinc/98/37/78/542983778.db2.gz QQUDTIPPWJNXAW-UHFFFAOYSA-N 0 0 367.365 2.435 50 5 FEBARN Cc1cccn2c1nc(=O)c1c2NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000100190742 222238266 /nfs/dbraw/zinc/23/82/66/222238266.db2.gz OVVFKZUJYRSUBW-CYBMUJFWSA-N 0 0 350.334 2.385 50 5 FEBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccccc1F ZINC000100872765 222255132 /nfs/dbraw/zinc/25/51/32/222255132.db2.gz QPXJOTPVIWTCBX-HIFRSBDPSA-N 0 0 355.281 2.026 50 5 FEBARN O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H](CCO)c2ccccc2)cc1 ZINC000084522395 527353691 /nfs/dbraw/zinc/35/36/91/527353691.db2.gz KRBUPJACESYPHT-MRXNPFEDSA-N 0 0 364.423 2.180 50 5 FEBARN COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)cc1Br ZINC000000718773 210266418 /nfs/dbraw/zinc/26/64/18/210266418.db2.gz FWYZKWZWVRHMPG-NOZJJQNGSA-N 0 0 359.176 2.063 50 5 FEBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cnc2n(c1=O)CCS2 ZINC000002455854 539348077 /nfs/dbraw/zinc/34/80/77/539348077.db2.gz YPOJGZDNWDDIKP-UHFFFAOYSA-N 0 0 352.759 2.163 50 5 FEBARN Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)c1Cl ZINC000002794086 539354055 /nfs/dbraw/zinc/35/40/55/539354055.db2.gz WZXBWIRMIRNQIB-UHFFFAOYSA-N 0 0 368.825 2.163 50 5 FEBARN O=C(Nc1nnc(C2CC2)s1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 ZINC000002776617 539352452 /nfs/dbraw/zinc/35/24/52/539352452.db2.gz RIXBVGJJWDTDOW-UHFFFAOYSA-N 0 0 360.355 2.414 50 5 FEBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nnc(CCc2ccccc2)s1 ZINC000002883432 539356108 /nfs/dbraw/zinc/35/61/08/539356108.db2.gz INYXFQUZLSYKSD-UHFFFAOYSA-N 0 0 358.383 2.067 50 5 FEBARN Cc1cc(C(=O)NC(=S)Nc2ccccc2C(N)=O)ccc1[N+](=O)[O-] ZINC000002830411 539355150 /nfs/dbraw/zinc/35/51/50/539355150.db2.gz RVYUJFMDBJQRSM-UHFFFAOYSA-N 0 0 358.379 2.129 50 5 FEBARN O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1=O)c1ccco1 ZINC000003628115 539372543 /nfs/dbraw/zinc/37/25/43/539372543.db2.gz CMXYRYGXVYCZOW-SDNWHVSQSA-N 0 0 369.333 2.108 50 5 FEBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000004071114 539375104 /nfs/dbraw/zinc/37/51/04/539375104.db2.gz NSTIMXLDNIPDEP-UHFFFAOYSA-N 0 0 370.770 2.455 50 5 FEBARN Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F ZINC000004246122 539379375 /nfs/dbraw/zinc/37/93/75/539379375.db2.gz XHQUPSAHGHZTRP-UHFFFAOYSA-N 0 0 369.255 2.390 50 5 FEBARN CCCCN(C(=O)CC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000025668339 210161158 /nfs/dbraw/zinc/16/11/58/210161158.db2.gz QVHGJPNIFPTHQL-UHFFFAOYSA-N 0 0 373.387 2.450 50 5 FEBARN CCc1ccccc1NC(=O)CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000004548982 539387528 /nfs/dbraw/zinc/38/75/28/539387528.db2.gz KDTGIWRBIHBLCV-UHFFFAOYSA-N 0 0 373.413 2.068 50 5 FEBARN CC1(C)C[C@@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 ZINC000004919621 539395710 /nfs/dbraw/zinc/39/57/10/539395710.db2.gz ORTJRBCICRYFRO-SECBINFHSA-N 0 0 351.384 2.140 50 5 FEBARN Cc1cc(NCc2ccc3c(c2)OCO3)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000005251744 539406252 /nfs/dbraw/zinc/40/62/52/539406252.db2.gz JDIWSLQYHVLZSF-UHFFFAOYSA-N 0 0 354.326 2.220 50 5 FEBARN CCN(CC(=O)Nc1cccc(OC)c1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000005637402 539414250 /nfs/dbraw/zinc/41/42/50/539414250.db2.gz DFHHPEALWVEAOI-UHFFFAOYSA-N 0 0 372.381 2.167 50 5 FEBARN O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)O[C@@H]1CCCCC1=O ZINC000006097968 539422022 /nfs/dbraw/zinc/42/20/22/539422022.db2.gz ASTBRDXUFTWUTD-CYBMUJFWSA-N 0 0 354.746 2.033 50 5 FEBARN O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCCCC1 ZINC000006402285 539427116 /nfs/dbraw/zinc/42/71/16/539427116.db2.gz IWVDOCJJMUOZOF-UHFFFAOYSA-N 0 0 361.398 2.364 50 5 FEBARN Cc1ccc(OCc2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])n1 ZINC000006623508 539431273 /nfs/dbraw/zinc/43/12/73/539431273.db2.gz YFNKHXFZGUQREB-UHFFFAOYSA-N 0 0 351.384 2.128 50 5 FEBARN CON(C)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000007979068 539472792 /nfs/dbraw/zinc/47/27/92/539472792.db2.gz CDRIDDJHFPUPAB-TXEJJXNPSA-N 0 0 357.432 2.259 50 5 FEBARN NC(=O)Cc1ccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024487865 539733040 /nfs/dbraw/zinc/73/30/40/539733040.db2.gz BTYRKAHBJRPKQO-UHFFFAOYSA-N 0 0 356.382 2.453 50 5 FEBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCn1c2ccccc2n(C)c1=O ZINC000024948278 539744440 /nfs/dbraw/zinc/74/44/40/539744440.db2.gz FQTUDNBRZLPRKH-UHFFFAOYSA-N 0 0 368.393 2.297 50 5 FEBARN O=C(CNC(=O)c1ccc(F)cc1F)OCc1ccccc1[N+](=O)[O-] ZINC000025018813 539746692 /nfs/dbraw/zinc/74/66/92/539746692.db2.gz BCVNAVDQKYIONL-UHFFFAOYSA-N 0 0 350.277 2.346 50 5 FEBARN O=c1nc2n(n1Cc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccc(F)cc1)C2 ZINC000032104111 539929841 /nfs/dbraw/zinc/92/98/41/539929841.db2.gz KDBZXCOHUUCPTL-UHFFFAOYSA-N 0 0 369.312 2.129 50 5 FEBARN COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000032912608 539958517 /nfs/dbraw/zinc/95/85/17/539958517.db2.gz QEKUCSLRYOIFAW-HNNXBMFYSA-N 0 0 361.354 2.467 50 5 FEBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCCN1C(=O)c2ccccc2C1=O ZINC000003445772 219510313 /nfs/dbraw/zinc/51/03/13/219510313.db2.gz DRFAPSAZHLQQFS-CMDGGOBGSA-N 0 0 366.329 2.447 50 5 FEBARN COc1ccc(NC(=O)c2ccccc2S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000004517784 219582105 /nfs/dbraw/zinc/58/21/05/219582105.db2.gz MJVRHGJIFIZGNX-UHFFFAOYSA-N 0 0 350.352 2.259 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000054991925 540620274 /nfs/dbraw/zinc/62/02/74/540620274.db2.gz NGJRYJUQUYLNMC-HNNXBMFYSA-N 0 0 365.455 2.257 50 5 FEBARN COC(=O)c1ccc(OCC(=O)N2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000007128013 219792278 /nfs/dbraw/zinc/79/22/78/219792278.db2.gz INFCXQIYOFCQDB-UHFFFAOYSA-N 0 0 370.361 2.345 50 5 FEBARN Cc1nn(CN2CCC(C(=O)Nc3ncccc3C)CC2)c(C)c1[N+](=O)[O-] ZINC000057088534 540767668 /nfs/dbraw/zinc/76/76/68/540767668.db2.gz ZJYIFZLZVFYUJX-UHFFFAOYSA-N 0 0 372.429 2.420 50 5 FEBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1COc2ccccc2O1 ZINC000008281836 219857682 /nfs/dbraw/zinc/85/76/82/219857682.db2.gz XVHQOJLJHWZBNV-MRXNPFEDSA-N 0 0 373.317 2.345 50 5 FEBARN O=c1oc2ccccc2n1CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000058208743 211995031 /nfs/dbraw/zinc/99/50/31/211995031.db2.gz RQVGIUUSLXYWSH-UHFFFAOYSA-N 0 0 367.317 2.189 50 5 FEBARN CN(C)C(=O)CN(C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047509332 211854631 /nfs/dbraw/zinc/85/46/31/211854631.db2.gz UEYOWKCSRLHGRW-UHFFFAOYSA-N 0 0 350.253 2.046 50 5 FEBARN O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1CCO ZINC000038828953 211703856 /nfs/dbraw/zinc/70/38/56/211703856.db2.gz ZWOMLDBLIHAJAU-UHFFFAOYSA-N 0 0 367.792 2.346 50 5 FEBARN Cc1cc(=O)c(C(=O)N(C)Cc2ccco2)nn1-c1ccccc1[N+](=O)[O-] ZINC000017790982 211185860 /nfs/dbraw/zinc/18/58/60/211185860.db2.gz YWIUGRHDFZTTLI-UHFFFAOYSA-N 0 0 368.349 2.314 50 5 FEBARN Cc1c(C(=O)NC(=S)NC2N=NC(=S)S2)cccc1[N+](=O)[O-] ZINC000013011618 211020588 /nfs/dbraw/zinc/02/05/88/211020588.db2.gz LSHZCHIQWFZGPO-UHFFFAOYSA-N 0 0 355.426 2.170 50 5 FEBARN O=c1ccc([N+](=O)[O-])cn1Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000012914959 211007180 /nfs/dbraw/zinc/00/71/80/211007180.db2.gz VCSHGLRQJBHCOR-UHFFFAOYSA-N 0 0 370.346 2.363 50 5 FEBARN CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000012902849 211005493 /nfs/dbraw/zinc/00/54/93/211005493.db2.gz NDEYXHVDAPIWBW-GFCCVEGCSA-N 0 0 364.379 2.055 50 5 FEBARN Cc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000010924531 210878336 /nfs/dbraw/zinc/87/83/36/210878336.db2.gz RYRRIUOLGOQREE-UHFFFAOYSA-N 0 0 359.407 2.279 50 5 FEBARN COc1ccc(C(=O)NCCc2nc3cc([N+](=O)[O-])ccc3n2C)cc1 ZINC000008740784 210801090 /nfs/dbraw/zinc/80/10/90/210801090.db2.gz IVIRCSYLYPKSPN-UHFFFAOYSA-N 0 0 354.366 2.463 50 5 FEBARN Cc1nn(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] ZINC000008266772 210778503 /nfs/dbraw/zinc/77/85/03/210778503.db2.gz IPOAZLOKBRHPKW-JTQLQIEISA-N 0 0 360.370 2.057 50 5 FEBARN CC(=O)N1N=C(Cc2ccc([N+](=O)[O-])cc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000004753746 210561650 /nfs/dbraw/zinc/56/16/50/210561650.db2.gz HLXKYHYUVIUJEK-SFHVURJKSA-N 0 0 366.333 2.135 50 5 FEBARN CCOC(=O)CSc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000004670203 210549204 /nfs/dbraw/zinc/54/92/04/210549204.db2.gz BQSCQVJZLOOPSR-UHFFFAOYSA-N 0 0 374.440 2.035 50 5 FEBARN COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 ZINC000001152066 210326159 /nfs/dbraw/zinc/32/61/59/210326159.db2.gz ODICWHUZYVSYSU-UHFFFAOYSA-N 0 0 358.350 2.270 50 5 FEBARN CCOC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(C(C)(C)C)C1 ZINC000001214505 210335669 /nfs/dbraw/zinc/33/56/69/210335669.db2.gz PHPLUBKNUXMVRE-KRWDZBQOSA-N 0 0 363.370 2.095 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NCc1ccco1 ZINC000001070775 210313200 /nfs/dbraw/zinc/31/32/00/210313200.db2.gz ZALYCIUORLZMBL-QMMMGPOBSA-N 0 0 357.164 2.333 50 5 FEBARN Cc1ccc(C)c(NC(=O)Cn2nc([N+](=O)[O-])nc2Br)c1 ZINC000001004621 210301673 /nfs/dbraw/zinc/30/16/73/210301673.db2.gz LRWJPHIVFNSVFG-UHFFFAOYSA-N 0 0 354.164 2.204 50 5 FEBARN COc1ccc(CN(c2ccccc2)S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000000970035 210297739 /nfs/dbraw/zinc/29/77/39/210297739.db2.gz DMZNAQSFDFLFAZ-UHFFFAOYSA-N 0 0 365.411 2.416 50 5 FEBARN Cn1cc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccccc1OC(F)F ZINC000009576024 210296205 /nfs/dbraw/zinc/29/62/05/210296205.db2.gz MNDCQMBJUVAFKY-UHFFFAOYSA-N 0 0 369.280 2.330 50 5 FEBARN COC(=O)c1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000000797421 210272224 /nfs/dbraw/zinc/27/22/24/210272224.db2.gz YIJAJELRKQCPNB-UHFFFAOYSA-N 0 0 352.734 2.178 50 5 FEBARN CCCN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[C@H]1CCS(=O)(=O)C1 ZINC000049649846 221026533 /nfs/dbraw/zinc/02/65/33/221026533.db2.gz PFGOQWMDQDRHKR-LBPRGKRZSA-N 0 0 365.411 2.115 50 5 FEBARN CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069324021 221323828 /nfs/dbraw/zinc/32/38/28/221323828.db2.gz PCFPMQKRRCMRDX-CQSZACIVSA-N 0 0 351.428 2.287 50 5 FEBARN C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)C[C@H](C)O1 ZINC000004306375 132386740 /nfs/dbraw/zinc/38/67/40/132386740.db2.gz ZTAVCUIVQZYFDW-UWVGGRQHSA-N 0 0 362.365 2.463 50 5 FEBARN COc1ccc(NC(=O)CN2CC(=O)Nc3ccccc32)c([N+](=O)[O-])c1 ZINC000006830976 132836596 /nfs/dbraw/zinc/83/65/96/132836596.db2.gz UNEQQTWQQALWNA-UHFFFAOYSA-N 0 0 356.338 2.001 50 5 FEBARN C[C@@H]1CN(c2nc(Nc3ccccc3F)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000009350172 132846259 /nfs/dbraw/zinc/84/62/59/132846259.db2.gz GOKVPBGLAKANAX-NXEZZACHSA-N 0 0 362.365 2.463 50 5 FEBARN Cc1nc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)sc1C ZINC000009478601 132846563 /nfs/dbraw/zinc/84/65/63/132846563.db2.gz TWYLWAQASQSTLJ-UHFFFAOYSA-N 0 0 362.367 2.032 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)O[C@@H](C)C3)n2)C1 ZINC000013776788 132871128 /nfs/dbraw/zinc/87/11/28/132871128.db2.gz HCQZAMQVZJLDJY-MPZDIEGVSA-N 0 0 364.450 2.063 50 5 FEBARN CNS(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000015169499 132876905 /nfs/dbraw/zinc/87/69/05/132876905.db2.gz GTFGDSYLWPGFRY-SECBINFHSA-N 0 0 367.349 2.282 50 5 FEBARN O=[N+]([O-])c1cccc(N2CCN(Cn3ncn(C4CC4)c3=S)CC2)c1 ZINC000054516263 136125461 /nfs/dbraw/zinc/12/54/61/136125461.db2.gz WCWNGGUJZWFNNI-UHFFFAOYSA-N 0 0 360.443 2.437 50 5 FEBARN CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(C2CCCCC2)c1=N ZINC000100627832 222247651 /nfs/dbraw/zinc/24/76/51/222247651.db2.gz HXLOXKFHTGOELF-UHFFFAOYSA-N 0 0 365.437 2.302 50 5 FEBARN COC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(Cc2ccccc2)c1=N ZINC000100627154 222248052 /nfs/dbraw/zinc/24/80/52/222248052.db2.gz XKHVGTUDHWRNNS-UHFFFAOYSA-N 0 0 374.400 2.272 50 5 FEBARN O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccc(F)cc1 ZINC000103613807 222339758 /nfs/dbraw/zinc/33/97/58/222339758.db2.gz DLCOVGZXKOQURS-ZFWWWQNUSA-N 0 0 355.281 2.026 50 5 FEBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)C2=C(O)N1c1ccccc1F ZINC000103590468 222339906 /nfs/dbraw/zinc/33/99/06/222339906.db2.gz QPXJOTPVIWTCBX-UKRRQHHQSA-N 0 0 355.281 2.026 50 5 FEBARN O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000103560569 222340018 /nfs/dbraw/zinc/34/00/18/222340018.db2.gz DPCWFQHMPAMFFM-ZFWWWQNUSA-N 0 0 355.281 2.026 50 5 FEBARN C[N@@+]12CC[C@]34c5ccccc5N[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3CC(=O)[O-])C2 ZINC000252695399 525359897 /nfs/dbraw/zinc/35/98/97/525359897.db2.gz ZKGBDMFTGPUHJP-JCGVQRKDSA-O 0 0 367.469 2.387 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC2(C)CCC2)CC1 ZINC000225578349 548737975 /nfs/dbraw/zinc/73/79/75/548737975.db2.gz RTIROSXEUUIQEN-UHFFFAOYSA-N 0 0 367.471 2.400 50 5 FEBARN CCn1ncc([C@H](C)NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c1C ZINC000002732178 539351850 /nfs/dbraw/zinc/35/18/50/539351850.db2.gz BXEZRRBUTVWOFP-VIFPVBQESA-N 0 0 354.798 2.237 50 5 FEBARN Cn1nc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000004140752 539377887 /nfs/dbraw/zinc/37/78/87/539377887.db2.gz RADBLFFEFMQSKV-UHFFFAOYSA-N 0 0 366.377 2.345 50 5 FEBARN CS(=O)(=O)NCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004663129 539389285 /nfs/dbraw/zinc/38/92/85/539389285.db2.gz UXGNMHXVMDQNAI-UHFFFAOYSA-N 0 0 355.338 2.355 50 5 FEBARN CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)NC1=S ZINC000004623947 539389478 /nfs/dbraw/zinc/38/94/78/539389478.db2.gz WDROLQJGZOXBSS-CXAGYDPISA-N 0 0 374.422 2.210 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCn2c3ccccc3nc2C1 ZINC000004885467 539395053 /nfs/dbraw/zinc/39/50/53/539395053.db2.gz KIXQEMNHZSVHJO-UHFFFAOYSA-N 0 0 358.379 2.149 50 5 FEBARN CC[C@@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006265726 539423587 /nfs/dbraw/zinc/42/35/87/539423587.db2.gz DZQVJORXKLHSBI-SSDOTTSWSA-N 0 0 363.399 2.246 50 5 FEBARN CCCCCCC(=O)Nc1cc2nc3[nH]c(=O)n(C)c(=O)c3nc2cc1C ZINC000006733118 539435804 /nfs/dbraw/zinc/43/58/04/539435804.db2.gz VSTHURNYONPQHN-UHFFFAOYSA-N 0 0 369.425 2.387 50 5 FEBARN COCCn1cnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006936829 539441951 /nfs/dbraw/zinc/44/19/51/539441951.db2.gz NOVLJTDMWGTRQL-UHFFFAOYSA-N 0 0 371.806 2.217 50 5 FEBARN CCN(CC)S(=O)(=O)c1c(C)nn(Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000008749107 539491747 /nfs/dbraw/zinc/49/17/47/539491747.db2.gz ZPHDPYPRNAHUMM-UHFFFAOYSA-N 0 0 366.443 2.487 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)C[C@H](C)O1 ZINC000012551558 539564903 /nfs/dbraw/zinc/56/49/03/539564903.db2.gz ZBKOIWAMPFBYFG-PHIMTYICSA-N 0 0 350.423 2.325 50 5 FEBARN O=C(CCNS(=O)(=O)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000012553769 539566074 /nfs/dbraw/zinc/56/60/74/539566074.db2.gz SGODGGATQTXESW-UHFFFAOYSA-N 0 0 364.379 2.007 50 5 FEBARN COCCN(Cc1cccs1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000024366546 539729908 /nfs/dbraw/zinc/72/99/08/539729908.db2.gz QVDZRXCLSDCBRR-UHFFFAOYSA-N 0 0 356.425 2.494 50 5 FEBARN COC(=O)c1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000024848232 539743025 /nfs/dbraw/zinc/74/30/25/539743025.db2.gz OEHVIEWSKYZCSK-UHFFFAOYSA-N 0 0 360.322 2.408 50 5 FEBARN COCCNc1ccc(C(=O)Nn2cnc3ccccc32)cc1[N+](=O)[O-] ZINC000027041744 539799893 /nfs/dbraw/zinc/79/98/93/539799893.db2.gz YBEJFAZERGZYSW-UHFFFAOYSA-N 0 0 355.354 2.387 50 5 FEBARN COC(=O)C1(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)CCCCCC1 ZINC000027972884 539822044 /nfs/dbraw/zinc/82/20/44/539822044.db2.gz BIOAFOYDINJHMV-UHFFFAOYSA-N 0 0 370.427 2.448 50 5 FEBARN CNc1ccc(C(=O)N(C)CC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000032921834 539959185 /nfs/dbraw/zinc/95/91/85/539959185.db2.gz FAHXMPXONJYLRZ-UHFFFAOYSA-N 0 0 362.430 2.500 50 5 FEBARN COCCCn1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O ZINC000036125580 539987292 /nfs/dbraw/zinc/98/72/92/539987292.db2.gz WXNSVRCFERXSSG-UHFFFAOYSA-N 0 0 365.389 2.389 50 5 FEBARN CC1CCC(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000036046734 539985723 /nfs/dbraw/zinc/98/57/23/539985723.db2.gz PPNHUEKPWFIUDH-UHFFFAOYSA-N 0 0 367.471 2.480 50 5 FEBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNC(=O)NCc1ccco1 ZINC000056991726 540759917 /nfs/dbraw/zinc/75/99/17/540759917.db2.gz LIAJRRBJNSAZEM-UHFFFAOYSA-N 0 0 360.370 2.036 50 5 FEBARN COc1ccccc1C(=O)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000057142358 540772230 /nfs/dbraw/zinc/77/22/30/540772230.db2.gz DMJCQRVYCREOHI-UHFFFAOYSA-N 0 0 356.382 2.351 50 5 FEBARN COc1ccc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)cc1[N+](=O)[O-] ZINC000057652273 540805796 /nfs/dbraw/zinc/80/57/96/540805796.db2.gz AKEDHKBWHSQWLF-CYBMUJFWSA-N 0 0 364.379 2.406 50 5 FEBARN C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C(=O)N1CCOCC1 ZINC000062886693 212029988 /nfs/dbraw/zinc/02/99/88/212029988.db2.gz FNULWRKCRHTJLL-AWEZNQCLSA-N 0 0 363.417 2.365 50 5 FEBARN CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020602134 211289805 /nfs/dbraw/zinc/28/98/05/211289805.db2.gz VWOSJXCHHGRPAX-UHFFFAOYSA-N 0 0 358.807 2.285 50 5 FEBARN CC(C)C(=O)N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000015789285 211145382 /nfs/dbraw/zinc/14/53/82/211145382.db2.gz UWHNHCMEHYLFMS-UHFFFAOYSA-N 0 0 351.428 2.014 50 5 FEBARN CCOC(=O)N1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000013137687 211026016 /nfs/dbraw/zinc/02/60/16/211026016.db2.gz WVAOPICGTAUCBW-UHFFFAOYSA-N 0 0 353.400 2.231 50 5 FEBARN CCCn1c(=O)[nH]nc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005966075 210652232 /nfs/dbraw/zinc/65/22/32/210652232.db2.gz MJYTWTGNJMLVOO-UHFFFAOYSA-N 0 0 371.806 2.274 50 5 FEBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000005185634 210605888 /nfs/dbraw/zinc/60/58/88/210605888.db2.gz VZXPKCKSMQWWDG-GFCCVEGCSA-N 0 0 364.379 2.017 50 5 FEBARN C[C@@H](O)CNc1ccc(-c2nn(C)c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000004164384 210512965 /nfs/dbraw/zinc/51/29/65/210512965.db2.gz YOEHTRBCGIIBHK-LLVKDONJSA-N 0 0 354.366 2.301 50 5 FEBARN COc1ccc(NC(=O)CSc2n[nH]c(C)c2[N+](=O)[O-])cc1OC ZINC000003909536 210501404 /nfs/dbraw/zinc/50/14/04/210501404.db2.gz VJJYYVGWORYAEH-UHFFFAOYSA-N 0 0 352.372 2.374 50 5 FEBARN CCOc1c(Br)cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC ZINC000002459184 210399208 /nfs/dbraw/zinc/39/92/08/210399208.db2.gz SKJQOHGNTLIWTN-GXFFZTMASA-N 0 0 373.203 2.453 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000010252777 210345180 /nfs/dbraw/zinc/34/51/80/210345180.db2.gz SKVUGEJGPFXPOB-UHFFFAOYSA-N 0 0 364.379 2.188 50 5 FEBARN O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc([N+](=O)[O-])c1 ZINC000001057763 210309175 /nfs/dbraw/zinc/30/91/75/210309175.db2.gz DLAFJJAYHSMLJE-JKSUJKDBSA-N 0 0 373.390 2.207 50 5 FEBARN C[C@]1(c2ccccc2)NC(=O)N(CCOc2cccc([N+](=O)[O-])c2)C1=O ZINC000047347112 220993072 /nfs/dbraw/zinc/99/30/72/220993072.db2.gz OFLALRAHZJOQLJ-GOSISDBHSA-N 0 0 355.350 2.441 50 5 FEBARN C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1 ZINC000245329480 132376616 /nfs/dbraw/zinc/37/66/16/132376616.db2.gz ZLLQOFBTQIIREK-NOZJJQNGSA-N 0 0 358.354 2.153 50 5 FEBARN O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc(F)c1 ZINC000103625900 543115792 /nfs/dbraw/zinc/11/57/92/543115792.db2.gz GTTIINNVRULUMN-DZGCQCFKSA-N 0 0 355.281 2.026 50 5 FEBARN CCn1c(=N)c(C(=O)NCc2ccccc2)cc2c1nc1ccccn1c2=O ZINC000100627720 222248242 /nfs/dbraw/zinc/24/82/42/222248242.db2.gz CBUWLDOPKBQEBV-UHFFFAOYSA-N 0 0 373.416 2.079 50 5 FEBARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 ZINC000004059307 263330995 /nfs/dbraw/zinc/33/09/95/263330995.db2.gz HEKQITKTDGJNCZ-HNNXBMFYSA-N 0 0 369.406 2.421 50 5 FEBARN C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C[C@@H](C)O2 ZINC000240412863 548884974 /nfs/dbraw/zinc/88/49/74/548884974.db2.gz FOKNPJBIPBNRMB-VFVRVIDISA-N 0 0 373.413 2.163 50 5 FEBARN CC[C@@H]1OCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000277742589 550708822 /nfs/dbraw/zinc/70/88/22/550708822.db2.gz ISDFBBBQGQZCMI-HIFRSBDPSA-N 0 0 366.414 2.476 50 5 FEBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3)n12 ZINC000000714514 210263659 /nfs/dbraw/zinc/26/36/59/210263659.db2.gz FLQLFPONYNJGAF-UVTDQMKNSA-N 0 0 350.359 2.274 50 5 FEBARN O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1cccc([N+](=O)[O-])c1 ZINC000003237579 539360654 /nfs/dbraw/zinc/36/06/54/539360654.db2.gz ODUFCELYHZVFAU-UHFFFAOYSA-N 0 0 368.301 2.497 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2O)CC1 ZINC000003317023 539362535 /nfs/dbraw/zinc/36/25/35/539362535.db2.gz JXWXRYHRWUPRBA-UHFFFAOYSA-N 0 0 357.366 2.028 50 5 FEBARN C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O ZINC000003479876 539367870 /nfs/dbraw/zinc/36/78/70/539367870.db2.gz MMYSUTLRWSRJJD-NSHDSACASA-N 0 0 354.318 2.323 50 5 FEBARN COc1ccc(F)cc1C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000004515749 539387355 /nfs/dbraw/zinc/38/73/55/539387355.db2.gz PSNGCIBVECEHJE-UHFFFAOYSA-N 0 0 357.297 2.335 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000004577084 539388139 /nfs/dbraw/zinc/38/81/39/539388139.db2.gz IERNHSIWZCQZKD-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN COC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O ZINC000004694682 539389983 /nfs/dbraw/zinc/38/99/83/539389983.db2.gz WRDKCIWJQMMROB-BJMVGYQFSA-N 0 0 356.743 2.458 50 5 FEBARN O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000004814981 539393324 /nfs/dbraw/zinc/39/33/24/539393324.db2.gz QWCZQGSWUKLUIH-UHFFFAOYSA-N 0 0 351.746 2.391 50 5 FEBARN COc1cccc(-c2cc(N)n(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000005034645 539399994 /nfs/dbraw/zinc/39/99/94/539399994.db2.gz OJAMBWUMGNSUJE-UHFFFAOYSA-N 0 0 374.378 2.286 50 5 FEBARN COc1cccc(N2C[C@@H](NC(=O)c3ccccc3[N+](=O)[O-])CC2=O)c1 ZINC000005194880 539404284 /nfs/dbraw/zinc/40/42/84/539404284.db2.gz SFTYEYILPPEDMI-LBPRGKRZSA-N 0 0 355.350 2.139 50 5 FEBARN Cc1nn([C@@H](C)C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000006527464 539429847 /nfs/dbraw/zinc/42/98/47/539429847.db2.gz ICFUSKYBLDAKRP-QMMMGPOBSA-N 0 0 354.164 2.457 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1ccc(CO)cc1 ZINC000007429970 539458426 /nfs/dbraw/zinc/45/84/26/539458426.db2.gz RYTIJWWJQRLUBB-NSHDSACASA-N 0 0 374.349 2.280 50 5 FEBARN CNC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1 ZINC000007825792 539467773 /nfs/dbraw/zinc/46/77/73/539467773.db2.gz PHDLFJCLTCNWDS-MRXNPFEDSA-N 0 0 355.350 2.057 50 5 FEBARN COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1NS(C)(=O)=O ZINC000012520959 539561988 /nfs/dbraw/zinc/56/19/88/539561988.db2.gz DFOVPJCHRSHNLM-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN CCOC(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2CC)CC1 ZINC000012473639 539562019 /nfs/dbraw/zinc/56/20/19/539562019.db2.gz OXBIWZGAABCQLF-UHFFFAOYSA-N 0 0 361.402 2.239 50 5 FEBARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cnc([N+](=O)[O-])c2)c1 ZINC000012520482 539562464 /nfs/dbraw/zinc/56/24/64/539562464.db2.gz NHCSBJFLGHMDBC-AWEZNQCLSA-N 0 0 360.370 2.172 50 5 FEBARN COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000030898477 539893806 /nfs/dbraw/zinc/89/38/06/539893806.db2.gz GSCPSNHZZRHKMS-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN COCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccco2)cc1OC ZINC000032854465 539955895 /nfs/dbraw/zinc/95/58/95/539955895.db2.gz XFDZVZZIFKCUST-UHFFFAOYSA-N 0 0 350.327 2.152 50 5 FEBARN C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)N1CCC(C)CC1 ZINC000032724211 539949406 /nfs/dbraw/zinc/94/94/06/539949406.db2.gz VROZCANWZHGWLW-NSHDSACASA-N 0 0 364.354 2.127 50 5 FEBARN Cc1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000050321286 540404662 /nfs/dbraw/zinc/40/46/62/540404662.db2.gz DKNARRNVCNHVTO-HOCLYGCPSA-N 0 0 362.382 2.230 50 5 FEBARN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000054173042 540572966 /nfs/dbraw/zinc/57/29/66/540572966.db2.gz XCRUHMQIHPVTEE-VIFPVBQESA-N 0 0 353.425 2.255 50 5 FEBARN Cc1ccc(NC(=O)CN2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000054620474 540599017 /nfs/dbraw/zinc/59/90/17/540599017.db2.gz HWFPBQVOUIKXNI-UHFFFAOYSA-N 0 0 361.427 2.120 50 5 FEBARN CS(=O)(=O)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000007984009 219837727 /nfs/dbraw/zinc/83/77/27/219837727.db2.gz LYNPKNGCNODHEO-LLVKDONJSA-N 0 0 364.379 2.250 50 5 FEBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000054621094 211929704 /nfs/dbraw/zinc/92/97/04/211929704.db2.gz XUVIIRLYCDFXAH-GFCCVEGCSA-N 0 0 361.427 2.201 50 5 FEBARN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000046136751 211835075 /nfs/dbraw/zinc/83/50/75/211835075.db2.gz JJJSRYLGPSXZBS-QGZVFWFLSA-N 0 0 367.405 2.302 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nc(S(C)(=O)=O)ncc1Cl ZINC000016751769 211168804 /nfs/dbraw/zinc/16/88/04/211168804.db2.gz WIEUAEZNEANFFC-UHFFFAOYSA-N 0 0 370.774 2.002 50 5 FEBARN Cc1nn(CC(=O)N(C)CC(=O)Nc2cccc(C)c2C)c(C)c1[N+](=O)[O-] ZINC000012757654 210986732 /nfs/dbraw/zinc/98/67/32/210986732.db2.gz LYVLZKBZSVFIHY-UHFFFAOYSA-N 0 0 373.413 2.122 50 5 FEBARN COC(=O)c1ccc(OC)cc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006999906 210723293 /nfs/dbraw/zinc/72/32/93/210723293.db2.gz SGDIJBMCRPZPFY-UHFFFAOYSA-N 0 0 367.335 2.158 50 5 FEBARN Cc1c(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000002883478 210434255 /nfs/dbraw/zinc/43/42/55/210434255.db2.gz YBZKCVLGQRCIRQ-UHFFFAOYSA-N 0 0 369.443 2.436 50 5 FEBARN CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCOC)=C1C ZINC000002071086 210378386 /nfs/dbraw/zinc/37/83/86/210378386.db2.gz AHCBQJZKHQGKMS-OAHLLOKOSA-N 0 0 363.370 2.145 50 5 FEBARN CCN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCOC)=C1C ZINC000002071087 210378106 /nfs/dbraw/zinc/37/81/06/210378106.db2.gz AHCBQJZKHQGKMS-HNNXBMFYSA-N 0 0 363.370 2.145 50 5 FEBARN O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000001813109 210371924 /nfs/dbraw/zinc/37/19/24/210371924.db2.gz CXMSGQNBFFOBLX-NTEUORMPSA-N 0 0 368.349 2.413 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O ZINC000001130072 210321673 /nfs/dbraw/zinc/32/16/73/210321673.db2.gz NDCGXRWXNBVGFI-UHFFFAOYSA-N 0 0 369.443 2.118 50 5 FEBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000001113397 210318585 /nfs/dbraw/zinc/31/85/85/210318585.db2.gz WNDSOTCEEORMEG-UHFFFAOYSA-N 0 0 355.416 2.128 50 5 FEBARN CCOC(=O)[C@@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000048343115 221008866 /nfs/dbraw/zinc/00/88/66/221008866.db2.gz UXOVFYFHAAHXDO-CQSZACIVSA-N 0 0 359.386 2.086 50 5 FEBARN Cc1cc(C(=O)NCc2cccc(N3CCOC3=O)c2)c(N)c([N+](=O)[O-])c1 ZINC000068549642 221316251 /nfs/dbraw/zinc/31/62/51/221316251.db2.gz IBVCJSDCNHVNKN-UHFFFAOYSA-N 0 0 370.365 2.372 50 5 FEBARN CC(C)(C)OC(=O)NC1(CO)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000225648233 132285722 /nfs/dbraw/zinc/28/57/22/132285722.db2.gz PSVARLUEWVVAGN-UHFFFAOYSA-N 0 0 351.403 2.451 50 5 FEBARN CC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001110357 132380210 /nfs/dbraw/zinc/38/02/10/132380210.db2.gz ZNRUGYGFNQGSIT-MRXNPFEDSA-N 0 0 368.349 2.297 50 5 FEBARN CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000002867200 132384121 /nfs/dbraw/zinc/38/41/21/132384121.db2.gz WLTVHIDPKXTMKZ-UHFFFAOYSA-N 0 0 372.381 2.499 50 5 FEBARN CC(=O)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000004842380 132824949 /nfs/dbraw/zinc/82/49/49/132824949.db2.gz AGIZLOIHSUFCRW-UHFFFAOYSA-N 0 0 369.377 2.483 50 5 FEBARN Cc1cc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)n2ncnc2n1 ZINC000030685659 132921901 /nfs/dbraw/zinc/92/19/01/132921901.db2.gz XYHVYFOONWHBNO-UHFFFAOYSA-N 0 0 373.804 2.321 50 5 FEBARN O=C(CNc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCOCC1 ZINC000058377712 136131712 /nfs/dbraw/zinc/13/17/12/136131712.db2.gz LDJKMDRJJCKIOC-UHFFFAOYSA-N 0 0 356.382 2.482 50 5 FEBARN O=C1[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000101100398 222262370 /nfs/dbraw/zinc/26/23/70/222262370.db2.gz DPCWFQHMPAMFFM-HIFRSBDPSA-N 0 0 355.281 2.026 50 5 FEBARN C[C@@H](C(=O)NCc1cccs1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000014924032 524216273 /nfs/dbraw/zinc/21/62/73/524216273.db2.gz PBDDLZAWJREFLD-AWEZNQCLSA-N 0 0 374.466 2.483 50 5 FEBARN O=C(CSc1nc2ccccc2[nH]1)NCCNc1ccc([N+](=O)[O-])cn1 ZINC000020533755 527060488 /nfs/dbraw/zinc/06/04/88/527060488.db2.gz OMRZTALDIXBSKT-UHFFFAOYSA-N 0 0 372.410 2.187 50 5 FEBARN O=C(Nc1ncn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001908461 539344176 /nfs/dbraw/zinc/34/41/76/539344176.db2.gz GAVGEYKZINIDLN-UHFFFAOYSA-N 0 0 368.309 2.395 50 5 FEBARN COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000002459177 539348822 /nfs/dbraw/zinc/34/88/22/539348822.db2.gz UXKRIFRARWHSDM-CABZTGNLSA-N 0 0 359.176 2.063 50 5 FEBARN CNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002632223 539349684 /nfs/dbraw/zinc/34/96/84/539349684.db2.gz DIGLICOOGKZAGJ-UHFFFAOYSA-N 0 0 370.390 2.132 50 5 FEBARN CC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002988972 539357708 /nfs/dbraw/zinc/35/77/08/539357708.db2.gz IYPAORCAGPIWBY-QGZVFWFLSA-N 0 0 370.361 2.068 50 5 FEBARN CCOC(=O)CSc1ccc(C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000003020320 539358824 /nfs/dbraw/zinc/35/88/24/539358824.db2.gz XQNGQQKOFMJYHQ-LBPRGKRZSA-N 0 0 368.411 2.159 50 5 FEBARN COCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000003055959 539360066 /nfs/dbraw/zinc/36/00/66/539360066.db2.gz ZPNDITSAZLQWMM-LGMDPLHJSA-N 0 0 369.377 2.128 50 5 FEBARN Cc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000003511545 539368901 /nfs/dbraw/zinc/36/89/01/539368901.db2.gz NZZMJJJDSIBDFT-UHFFFAOYSA-N 0 0 354.318 2.356 50 5 FEBARN Cc1c(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)cccc1[N+](=O)[O-] ZINC000003595689 539371476 /nfs/dbraw/zinc/37/14/76/539371476.db2.gz IHJAFDWRMDFCRG-BBATYDOGSA-N 0 0 374.397 2.342 50 5 FEBARN Cc1cccn2cc(CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 ZINC000004248514 539379409 /nfs/dbraw/zinc/37/94/09/539379409.db2.gz LXYIYEZBODXXEF-UHFFFAOYSA-N 0 0 360.395 2.072 50 5 FEBARN COCCN1C(=O)c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000004832128 539393154 /nfs/dbraw/zinc/39/31/54/539393154.db2.gz ARUGHPXGERPEDO-UHFFFAOYSA-N 0 0 354.318 2.068 50 5 FEBARN CCCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000004913306 539395829 /nfs/dbraw/zinc/39/58/29/539395829.db2.gz QVAVWMPSJXQMGT-AWEZNQCLSA-N 0 0 362.382 2.442 50 5 FEBARN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000005044567 539400433 /nfs/dbraw/zinc/40/04/33/539400433.db2.gz YTSZUYILWIECTG-NSHDSACASA-N 0 0 372.333 2.185 50 5 FEBARN C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)COc1ccccc1[N+](=O)[O-] ZINC000005061832 539400953 /nfs/dbraw/zinc/40/09/53/539400953.db2.gz HCXISSAIBYJEKK-STQMWFEESA-N 0 0 350.371 2.306 50 5 FEBARN C[C@@H]1CCC[C@H](NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000005061827 539401106 /nfs/dbraw/zinc/40/11/06/539401106.db2.gz QKAFZSLBGUKLRE-MCIONIFRSA-N 0 0 364.398 2.458 50 5 FEBARN COc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000005065623 539401269 /nfs/dbraw/zinc/40/12/69/539401269.db2.gz SXCMORKBOWMLLN-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN COc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005091077 539402771 /nfs/dbraw/zinc/40/27/71/539402771.db2.gz LKBRWXBUZZEMBX-GHMZBOCLSA-N 0 0 374.401 2.333 50 5 FEBARN COc1ccc(OC)c(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000006112046 539422000 /nfs/dbraw/zinc/42/20/00/539422000.db2.gz VCISJMTUQODONZ-UHFFFAOYSA-N 0 0 369.333 2.205 50 5 FEBARN CC[C@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1 ZINC000006265765 539425117 /nfs/dbraw/zinc/42/51/17/539425117.db2.gz DZQVJORXKLHSBI-ZETCQYMHSA-N 0 0 363.399 2.246 50 5 FEBARN CN(C)S(=O)(=O)c1cccc(C(=O)Oc2cccc([N+](=O)[O-])c2)c1 ZINC000006552334 539430920 /nfs/dbraw/zinc/43/09/20/539430920.db2.gz ZAAACKWXVSQYIA-UHFFFAOYSA-N 0 0 350.352 2.064 50 5 FEBARN NC(=O)Nc1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000006597878 539431896 /nfs/dbraw/zinc/43/18/96/539431896.db2.gz MKLADVNUKZBYRI-UHFFFAOYSA-N 0 0 373.321 2.309 50 5 FEBARN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCCc1ccc(F)cc1 ZINC000007345077 539456245 /nfs/dbraw/zinc/45/62/45/539456245.db2.gz UQJMLIYWUZEAFN-UHFFFAOYSA-N 0 0 359.357 2.213 50 5 FEBARN CCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1CCCCC1 ZINC000007706721 539463829 /nfs/dbraw/zinc/46/38/29/539463829.db2.gz IXRABGUENFECFI-UHFFFAOYSA-N 0 0 359.382 2.372 50 5 FEBARN Cc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])n1 ZINC000008458106 539487063 /nfs/dbraw/zinc/48/70/63/539487063.db2.gz NQIHZLNERCYOFQ-GFCCVEGCSA-N 0 0 373.365 2.326 50 5 FEBARN COc1cc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c(C)cc1[N+](=O)[O-] ZINC000009096973 539497707 /nfs/dbraw/zinc/49/77/07/539497707.db2.gz YOFCXIVPZFASDR-UHFFFAOYSA-N 0 0 364.383 2.034 50 5 FEBARN C[C@H](c1ccccc1)n1c(=O)[nH]c2nc3cc(N(C)C)ccc3nc2c1=O ZINC000009423790 539502496 /nfs/dbraw/zinc/50/24/96/539502496.db2.gz APEIMEDQQNTQOR-GFCCVEGCSA-N 0 0 361.405 2.308 50 5 FEBARN Nc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1[N+](=O)[O-] ZINC000010899940 539521983 /nfs/dbraw/zinc/52/19/83/539521983.db2.gz DOQLCGYXFHKZAJ-UHFFFAOYSA-N 0 0 354.366 2.456 50 5 FEBARN Cc1nn(Cc2ccc(C(=O)N3CCO[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000011497613 539529411 /nfs/dbraw/zinc/52/94/11/539529411.db2.gz NPNOXLZAVHPOJJ-GFCCVEGCSA-N 0 0 358.398 2.317 50 5 FEBARN C[C@H](Sc1nc(N)cc(N)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012538233 539563441 /nfs/dbraw/zinc/56/34/41/539563441.db2.gz KODXQZZCIQOFFC-ZETCQYMHSA-N 0 0 359.371 2.453 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCOCC2)nc1 ZINC000012737923 539571683 /nfs/dbraw/zinc/57/16/83/539571683.db2.gz ZLFPKNVMEPRSQU-UHFFFAOYSA-N 0 0 358.354 2.087 50 5 FEBARN COc1ccccc1Nc1nc(N2C[C@@H](C)O[C@@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000013748625 539591150 /nfs/dbraw/zinc/59/11/50/539591150.db2.gz BTKBHYUHSTZIPQ-PHIMTYICSA-N 0 0 374.401 2.333 50 5 FEBARN CN(C)C(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000015201456 539613632 /nfs/dbraw/zinc/61/36/32/539613632.db2.gz VLGUOMLCLQTELX-INIZCTEOSA-N 0 0 355.350 2.091 50 5 FEBARN CC(=O)NCCCc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000025373970 539757964 /nfs/dbraw/zinc/75/79/64/539757964.db2.gz QIWRWRFEIWJMTG-UHFFFAOYSA-N 0 0 374.349 2.296 50 5 FEBARN C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025952337 539773244 /nfs/dbraw/zinc/77/32/44/539773244.db2.gz MKICBIWNTZYVJR-MRXNPFEDSA-N 0 0 360.458 2.113 50 5 FEBARN COc1ccc(-c2nnn(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000000867592 219332598 /nfs/dbraw/zinc/33/25/98/219332598.db2.gz BZGYHRCNXLTALF-UHFFFAOYSA-N 0 0 368.353 2.204 50 5 FEBARN COC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000027860553 539819328 /nfs/dbraw/zinc/81/93/28/539819328.db2.gz ZGACDEGIWHDIFB-UHFFFAOYSA-N 0 0 362.338 2.320 50 5 FEBARN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCC2)nc1 ZINC000029240712 539847776 /nfs/dbraw/zinc/84/77/76/539847776.db2.gz ATJALEBXXVVIAD-UHFFFAOYSA-N 0 0 356.382 2.285 50 5 FEBARN O=C(NCCc1ccc2c(c1)OCCO2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000031354197 539906423 /nfs/dbraw/zinc/90/64/23/539906423.db2.gz SXJPKNJPKWUQRC-UHFFFAOYSA-N 0 0 372.333 2.067 50 5 FEBARN COCCn1cnnc1SCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031839144 539921357 /nfs/dbraw/zinc/92/13/57/539921357.db2.gz YTJDDSCFUMWNGB-UHFFFAOYSA-N 0 0 362.371 2.175 50 5 FEBARN Cc1sc(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)cc1[N+](=O)[O-] ZINC000032818296 539954385 /nfs/dbraw/zinc/95/43/85/539954385.db2.gz RTZLWGVQJXKMHR-UHFFFAOYSA-N 0 0 374.378 2.269 50 5 FEBARN O=c1c2cc3c(ccn(-c4ccccn4)c3=O)nc2ccn1C[C@H]1CCCO1 ZINC000038829112 540001006 /nfs/dbraw/zinc/00/10/06/540001006.db2.gz MBSAJNBQMKTEHD-CQSZACIVSA-N 0 0 374.400 2.275 50 5 FEBARN CC[C@@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040060198 540005102 /nfs/dbraw/zinc/00/51/02/540005102.db2.gz HAKBFOCDZLKEIP-DOMZBBRYSA-N 0 0 369.443 2.053 50 5 FEBARN Cc1noc([C@@H]2CCCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C2)n1 ZINC000040156370 540007868 /nfs/dbraw/zinc/00/78/68/540007868.db2.gz UZKOYTGVZZCSOB-LLVKDONJSA-N 0 0 366.399 2.074 50 5 FEBARN O=C(NC(C1CC1)C1CC1)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000043074681 540086979 /nfs/dbraw/zinc/08/69/79/540086979.db2.gz CPCMHTJJKYLSAI-GFCCVEGCSA-N 0 0 361.373 2.392 50 5 FEBARN COC(=O)CCCCCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000046034303 540238511 /nfs/dbraw/zinc/23/85/11/540238511.db2.gz HERDZKIZNWLMEI-UHFFFAOYSA-N 0 0 358.416 2.305 50 5 FEBARN O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)COc3ccc(F)cc3)n2)cc1 ZINC000046060817 540240127 /nfs/dbraw/zinc/24/01/27/540240127.db2.gz CWSSCIWSZVUJBU-HNNXBMFYSA-N 0 0 358.329 2.432 50 5 FEBARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000005027754 219642311 /nfs/dbraw/zinc/64/23/11/219642311.db2.gz BMSDFWXIBZHEMY-HNNXBMFYSA-N 0 0 372.337 2.463 50 5 FEBARN Cc1c([C@H](C)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cnn1C ZINC000052578136 540474794 /nfs/dbraw/zinc/47/47/94/540474794.db2.gz CQTRLRJEMFXGAL-NSHDSACASA-N 0 0 354.370 2.313 50 5 FEBARN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1Br ZINC000072332111 541799556 /nfs/dbraw/zinc/79/95/56/541799556.db2.gz AHMVHJWAFAYYRG-UHFFFAOYSA-N 0 0 353.176 2.179 50 5 FEBARN Cc1nn(CC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000058394129 212007353 /nfs/dbraw/zinc/00/73/53/212007353.db2.gz ABAWKJUQEHUAHO-LRDDRELGSA-N 0 0 358.398 2.397 50 5 FEBARN CN(C[C@H]1CCCN(c2c([N+](=O)[O-])ncn2C)C1)C(=O)OC(C)(C)C ZINC000058172555 211989753 /nfs/dbraw/zinc/98/97/53/211989753.db2.gz JYOMQGXQJKICMV-GFCCVEGCSA-N 0 0 353.423 2.412 50 5 FEBARN COc1cccc(COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000025404570 211431026 /nfs/dbraw/zinc/43/10/26/211431026.db2.gz YFLOIVPWICIUJC-UHFFFAOYSA-N 0 0 358.350 2.467 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cnn(-c2ccccc2)c1 ZINC000023437416 211389334 /nfs/dbraw/zinc/38/93/34/211389334.db2.gz RXBNVWJAHXSXSJ-UHFFFAOYSA-N 0 0 358.379 2.259 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000019832094 211257704 /nfs/dbraw/zinc/25/77/04/211257704.db2.gz QZIWVRZOCBQVGS-UHFFFAOYSA-N 0 0 370.365 2.461 50 5 FEBARN COc1cc(CN2CCN(C(=O)CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000019782420 211255871 /nfs/dbraw/zinc/25/58/71/211255871.db2.gz RHXFUYWIBURVLY-UHFFFAOYSA-N 0 0 365.430 2.302 50 5 FEBARN COc1cc(NC(=O)CSc2nnc(N)s2)c(C)cc1[N+](=O)[O-] ZINC000013131911 211025017 /nfs/dbraw/zinc/02/50/17/211025017.db2.gz MSNQYRWSYASMDV-UHFFFAOYSA-N 0 0 355.401 2.076 50 5 FEBARN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1[N+](=O)[O-] ZINC000012973657 211013152 /nfs/dbraw/zinc/01/31/52/211013152.db2.gz DDUSAZCTPLVDHK-CQSZACIVSA-N 0 0 365.411 2.468 50 5 FEBARN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2ccco2)CC1 ZINC000012915390 211006521 /nfs/dbraw/zinc/00/65/21/211006521.db2.gz WJKXRADTLWXWRP-AWEZNQCLSA-N 0 0 358.398 2.333 50 5 FEBARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)Nc1ccccc1[N+](=O)[O-] ZINC000004864628 210572640 /nfs/dbraw/zinc/57/26/40/210572640.db2.gz NBUXAOXYCZZXMP-UHFFFAOYSA-N 0 0 367.317 2.232 50 5 FEBARN COc1ccc(CCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000004701810 210553640 /nfs/dbraw/zinc/55/36/40/210553640.db2.gz UYRHRDXLBFZQSZ-UHFFFAOYSA-N 0 0 350.396 2.433 50 5 FEBARN NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000002858239 210432470 /nfs/dbraw/zinc/43/24/70/210432470.db2.gz PTUHDOXXKYCAQB-CYBMUJFWSA-N 0 0 355.350 2.012 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(S(C)(=O)=O)cc1 ZINC000010252774 210344840 /nfs/dbraw/zinc/34/48/40/210344840.db2.gz QDPZMOLFNPKDRH-UHFFFAOYSA-N 0 0 364.379 2.188 50 5 FEBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nnc(-c3ccccc3)n12 ZINC000001184800 210331536 /nfs/dbraw/zinc/33/15/36/210331536.db2.gz IWDXGFXMWBETEP-UVTDQMKNSA-N 0 0 350.359 2.274 50 5 FEBARN COc1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000000943318 210291504 /nfs/dbraw/zinc/29/15/04/210291504.db2.gz GEMHBOCWZDTWHA-UHFFFAOYSA-N 0 0 369.333 2.228 50 5 FEBARN O=[N+]([O-])c1ccc([C@H](O)CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000023074448 220410597 /nfs/dbraw/zinc/41/05/97/220410597.db2.gz JVCPUBDCNSLDEN-SNVBAGLBSA-N 0 0 368.275 2.197 50 5 FEBARN C[C@@]1(c2ccccc2)NC(=O)N(CCOc2ccccc2[N+](=O)[O-])C1=O ZINC000047347160 220992458 /nfs/dbraw/zinc/99/24/58/220992458.db2.gz XJAVMEPZXKICTL-SFHVURJKSA-N 0 0 355.350 2.441 50 5 FEBARN C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000057895413 221095136 /nfs/dbraw/zinc/09/51/36/221095136.db2.gz BUAUOTMHKWEJLW-LLVKDONJSA-N 0 0 367.365 2.078 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 ZINC000001150696 132380547 /nfs/dbraw/zinc/38/05/47/132380547.db2.gz GBEUCPHTSSDJOJ-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CCCc2ccccc21 ZINC000040122526 136119464 /nfs/dbraw/zinc/11/94/64/136119464.db2.gz RWLPRRXBZKHKIZ-UHFFFAOYSA-N 0 0 368.393 2.398 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)nc1 ZINC000026757946 136153254 /nfs/dbraw/zinc/15/32/54/136153254.db2.gz PKKZPUUOYQQLNO-UHFFFAOYSA-N 0 0 356.382 2.083 50 5 FEBARN COc1ccc([C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000076092595 221594566 /nfs/dbraw/zinc/59/45/66/221594566.db2.gz ICQCZHRAPIHURM-GOSISDBHSA-N 0 0 359.382 2.279 50 5 FEBARN CCCCCn1c(=N)c(C(=O)OCC)cc2c1nc1ccccn1c2=O ZINC000101075578 222261058 /nfs/dbraw/zinc/26/10/58/222261058.db2.gz VFZVLTLUBIERCK-UHFFFAOYSA-N 0 0 354.410 2.496 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C1=O ZINC000101343697 222270406 /nfs/dbraw/zinc/27/04/06/222270406.db2.gz HDHFHLPFEOKSPN-HOCLYGCPSA-N 0 0 369.308 2.335 50 5 FEBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000102440399 222296783 /nfs/dbraw/zinc/29/67/83/222296783.db2.gz NKHUCUBOFAMHLN-VXGBXAGGSA-N 0 0 363.345 2.238 50 5 FEBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCOCO1 ZINC000154499723 544913429 /nfs/dbraw/zinc/91/34/29/544913429.db2.gz NHHKVVNMTHGSDE-AWEZNQCLSA-N 0 0 352.390 2.034 50 5 FEBARN Cn1cc([N+](=O)[O-])c(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)n1 ZINC000089749790 527327297 /nfs/dbraw/zinc/32/72/97/527327297.db2.gz CWVYJUOWVUUYEG-UHFFFAOYSA-N 0 0 359.317 2.095 50 5 FEBARN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CCOCC1 ZINC000170618698 546166977 /nfs/dbraw/zinc/16/69/77/546166977.db2.gz LMWLPHBFFOQZAX-UHFFFAOYSA-N 0 0 374.372 2.083 50 5 FEBARN Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000253405814 549686231 /nfs/dbraw/zinc/68/62/31/549686231.db2.gz QWZZNMXWHNDEII-ZDUSSCGKSA-N 0 0 356.382 2.260 50 5 FEBARN COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000002459178 539349140 /nfs/dbraw/zinc/34/91/40/539349140.db2.gz UXKRIFRARWHSDM-JOYOIKCWSA-N 0 0 359.176 2.063 50 5 FEBARN O=[N+]([O-])c1cc(COc2ccc(-n3cnnn3)cc2)c2c(c1)COCO2 ZINC000002649988 539350662 /nfs/dbraw/zinc/35/06/62/539350662.db2.gz ASRJQOFFOTUWHO-UHFFFAOYSA-N 0 0 355.310 2.016 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000002725924 539351627 /nfs/dbraw/zinc/35/16/27/539351627.db2.gz TYGOZNGDSWOFIJ-UHFFFAOYSA-N 0 0 362.729 2.435 50 5 FEBARN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003212002 539360908 /nfs/dbraw/zinc/36/09/08/539360908.db2.gz JRINMZUBOOCAEO-LLVKDONJSA-N 0 0 372.337 2.051 50 5 FEBARN CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000003503590 539368744 /nfs/dbraw/zinc/36/87/44/539368744.db2.gz WWLYUSHCGWMHIA-UHFFFAOYSA-N 0 0 363.347 2.038 50 5 FEBARN CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003429733 539366234 /nfs/dbraw/zinc/36/62/34/539366234.db2.gz QQTDZEPCLZYBES-UHFFFAOYSA-N 0 0 360.345 2.243 50 5 FEBARN O=C(OCn1nnc2ccccc2c1=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004119667 539377824 /nfs/dbraw/zinc/37/78/24/539377824.db2.gz LXSDEESKHDPVCL-UHFFFAOYSA-N 0 0 360.713 2.168 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 ZINC000004320162 539381698 /nfs/dbraw/zinc/38/16/98/539381698.db2.gz KKEGJBDASXOXCT-CQSZACIVSA-N 0 0 364.379 2.017 50 5 FEBARN COCCCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000004402388 539384812 /nfs/dbraw/zinc/38/48/12/539384812.db2.gz RGWXTYXTEUPRDJ-UHFFFAOYSA-N 0 0 359.294 2.289 50 5 FEBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000004538963 539387442 /nfs/dbraw/zinc/38/74/42/539387442.db2.gz BVIFGFYKILTURQ-UHFFFAOYSA-N 0 0 356.367 2.301 50 5 FEBARN COC(=O)c1c2c(sc1NC(=O)c1cc([N+](=O)[O-])nn1C)CCCC2 ZINC000004784927 539392294 /nfs/dbraw/zinc/39/22/94/539392294.db2.gz XDVHHWWQGWFFHW-UHFFFAOYSA-N 0 0 364.383 2.308 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000005091063 539402548 /nfs/dbraw/zinc/40/25/48/539402548.db2.gz XCJDXWQNTMYUDS-RNCFNFMXSA-N 0 0 361.379 2.416 50 5 FEBARN C[C@@H]1CN(c2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000005490188 539412416 /nfs/dbraw/zinc/41/24/16/539412416.db2.gz GABLLSFFWJWDSP-VXGBXAGGSA-N 0 0 358.402 2.349 50 5 FEBARN Cc1nn(C)c(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1Cl ZINC000005587162 539413147 /nfs/dbraw/zinc/41/31/47/539413147.db2.gz BYOZIWMVEULKMV-UHFFFAOYSA-N 0 0 353.791 2.417 50 5 FEBARN CS(=O)(=O)c1ccc([S@@](=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000006343399 539426048 /nfs/dbraw/zinc/42/60/48/539426048.db2.gz 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CCOC(=O)C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000025911803 539772916 /nfs/dbraw/zinc/77/29/16/539772916.db2.gz COOWCDONPMHLDY-UHFFFAOYSA-N 0 0 360.370 2.420 50 5 FEBARN O=[N+]([O-])c1ccc([S@](=O)C[S@](=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000028294035 539829957 /nfs/dbraw/zinc/82/99/57/539829957.db2.gz QZYJPARPLJGVNT-ZRZAMGCNSA-N 0 0 354.365 2.376 50 5 FEBARN COC(=O)c1cc(C(=O)NCCOc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000029294796 539849154 /nfs/dbraw/zinc/84/91/54/539849154.db2.gz NBWIYNJNIGINFL-UHFFFAOYSA-N 0 0 362.313 2.329 50 5 FEBARN O=c1c2sccc2ncn1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000031849342 539921185 /nfs/dbraw/zinc/92/11/85/539921185.db2.gz DIPDOFDAQCXPBL-UHFFFAOYSA-N 0 0 355.335 2.465 50 5 FEBARN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCC3)c([N+](=O)[O-])c2)C1 ZINC000032899471 539957805 /nfs/dbraw/zinc/95/78/05/539957805.db2.gz XUMKLCOORKUIGE-BETUJISGSA-N 0 0 353.444 2.472 50 5 FEBARN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCc1ccc2c(c1)OCO2 ZINC000035567874 539983362 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CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000058168859 221102908 /nfs/dbraw/zinc/10/29/08/221102908.db2.gz ZMGSCKHSCMQTSK-UHFFFAOYSA-N 0 0 370.409 2.443 50 5 FEBARN CN(c1ccc(Br)cc1[N+](=O)[O-])C1CCS(=O)(=O)CC1 ZINC000079016300 542494430 /nfs/dbraw/zinc/49/44/30/542494430.db2.gz NFXAIXLNZDCOOO-UHFFFAOYSA-N 0 0 363.233 2.371 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCO[C@H](C(C)C)C1 ZINC000095993869 132216379 /nfs/dbraw/zinc/21/63/79/132216379.db2.gz GHFLIXJJFNTUFS-ZDUSSCGKSA-N 0 0 353.331 2.151 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCO[C@@H](C(C)C)C1 ZINC000095993870 132216511 /nfs/dbraw/zinc/21/65/11/132216511.db2.gz GHFLIXJJFNTUFS-CYBMUJFWSA-N 0 0 353.331 2.151 50 5 FEBARN CC1(C)CC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)C1 ZINC000008814540 132844063 /nfs/dbraw/zinc/84/40/63/132844063.db2.gz UZAMGUCZVRNQPZ-OAHLLOKOSA-N 0 0 358.394 2.301 50 5 FEBARN Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000095452528 542970903 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ZINC000005050877 539401459 /nfs/dbraw/zinc/40/14/59/539401459.db2.gz PYYIGLIOXZLCIK-CYBMUJFWSA-N 0 0 358.402 2.213 50 5 FEBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000005936432 539419652 /nfs/dbraw/zinc/41/96/52/539419652.db2.gz HKYIMFJTQRYPNU-UHFFFAOYSA-N 0 0 370.220 2.305 50 5 FEBARN Nc1nc(NCc2ccccc2)c([N+](=O)[O-])c(=O)n1Cc1ccccc1 ZINC000006223205 539423768 /nfs/dbraw/zinc/42/37/68/539423768.db2.gz IEWDZZGUSMXHRV-UHFFFAOYSA-N 0 0 351.366 2.394 50 5 FEBARN Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C ZINC000007159119 539449573 /nfs/dbraw/zinc/44/95/73/539449573.db2.gz KDODMCFDAPFAPV-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN CCN(CCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)c1cccc(C)c1 ZINC000007239472 539452141 /nfs/dbraw/zinc/45/21/41/539452141.db2.gz WIDARPTYXUREDD-UHFFFAOYSA-N 0 0 359.430 2.359 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@H]1CCCO1 ZINC000008055779 539475814 /nfs/dbraw/zinc/47/58/14/539475814.db2.gz WXJYFXSROAQDSS-CYBMUJFWSA-N 0 0 369.443 2.360 50 5 FEBARN Cc1nn(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] ZINC000008266787 539481720 /nfs/dbraw/zinc/48/17/20/539481720.db2.gz IPOAZLOKBRHPKW-SNVBAGLBSA-N 0 0 360.370 2.057 50 5 FEBARN CC(C)NS(=O)(=O)c1ccc(-n2nnc3ccccc32)c([N+](=O)[O-])c1 ZINC000008705302 539489707 /nfs/dbraw/zinc/48/97/07/539489707.db2.gz CONFGWGMTNSQBJ-UHFFFAOYSA-N 0 0 361.383 2.015 50 5 FEBARN O=C(CSc1nnnn1-c1cccc(O)c1)Nc1ccccc1[N+](=O)[O-] ZINC000008782304 539492654 /nfs/dbraw/zinc/49/26/54/539492654.db2.gz VBZHDTBGUSXMNW-UHFFFAOYSA-N 0 0 372.366 2.007 50 5 FEBARN Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)N2)cc1 ZINC000009192442 539498765 /nfs/dbraw/zinc/49/87/65/539498765.db2.gz BDPRWNIZCFONPX-OAHLLOKOSA-N 0 0 367.365 2.198 50 5 FEBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)COCc1ccccc1F ZINC000009690786 539506524 /nfs/dbraw/zinc/50/65/24/539506524.db2.gz WZSITULDQPNETQ-AWEZNQCLSA-N 0 0 373.340 2.022 50 5 FEBARN O=c1c2ccccc2cnn1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000012564101 539565656 /nfs/dbraw/zinc/56/56/56/539565656.db2.gz KZLASZWTRDUVOX-UHFFFAOYSA-N 0 0 365.393 2.084 50 5 FEBARN CC(=O)c1ccc(NCCNS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 ZINC000012797096 539574702 /nfs/dbraw/zinc/57/47/02/539574702.db2.gz HWDZOEKVXMRVAP-UHFFFAOYSA-N 0 0 363.395 2.188 50 5 FEBARN COc1ccc(OC)c(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000024452254 539731939 /nfs/dbraw/zinc/73/19/39/539731939.db2.gz XJCDTGXOLQRDNY-UHFFFAOYSA-N 0 0 366.395 2.399 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ccccc2)CC1 ZINC000024810805 539741276 /nfs/dbraw/zinc/74/12/76/539741276.db2.gz BODMMRWFGVHUKG-UHFFFAOYSA-N 0 0 371.393 2.331 50 5 FEBARN O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031285080 539904141 /nfs/dbraw/zinc/90/41/41/539904141.db2.gz GYZMSPKRNUGFCB-UHFFFAOYSA-N 0 0 365.305 2.467 50 5 FEBARN COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000032770531 539952141 /nfs/dbraw/zinc/95/21/41/539952141.db2.gz MLRQHVPWNIAVSB-GHMZBOCLSA-N 0 0 356.400 2.048 50 5 FEBARN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000033853101 539976242 /nfs/dbraw/zinc/97/62/42/539976242.db2.gz XNYIYLZJLLDUHG-QGZVFWFLSA-N 0 0 357.410 2.157 50 5 FEBARN C[C@H]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000036046738 539985530 /nfs/dbraw/zinc/98/55/30/539985530.db2.gz JYTRNMDZQMRGJH-LSDHHAIUSA-N 0 0 367.471 2.480 50 5 FEBARN C[C@@H]1C[C@H](C)CN(c2nc(N3C[C@H](C)O[C@@H](C)C3)nc(N)c2[N+](=O)[O-])C1 ZINC000036391757 539990340 /nfs/dbraw/zinc/99/03/40/539990340.db2.gz KNNUDEKFSDVUQK-RNJOBUHISA-N 0 0 364.450 2.063 50 5 FEBARN Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000036617318 539991524 /nfs/dbraw/zinc/99/15/24/539991524.db2.gz LZRDFGWSEPLBPZ-LLVKDONJSA-N 0 0 354.370 2.313 50 5 FEBARN CN(C)c1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1)n(C)c(=O)n2C ZINC000039369584 540001572 /nfs/dbraw/zinc/00/15/72/540001572.db2.gz YUNSXGKCWPWEJQ-UHFFFAOYSA-N 0 0 369.381 2.104 50 5 FEBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000040139167 540007327 /nfs/dbraw/zinc/00/73/27/540007327.db2.gz VKDWPGRHKSFVDD-AWEZNQCLSA-N 0 0 359.386 2.289 50 5 FEBARN COC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc(C(=O)OC)c1 ZINC000002747008 219461614 /nfs/dbraw/zinc/46/16/14/219461614.db2.gz WJVCFLJEDLDAPU-HWKANZROSA-N 0 0 374.305 2.413 50 5 FEBARN Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC000252498481 222974960 /nfs/dbraw/zinc/97/49/60/222974960.db2.gz RCXOVSWMTIBYFT-CYBMUJFWSA-N 0 0 372.410 2.425 50 5 FEBARN COC(=O)Cc1ccc(OS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055954224 540689710 /nfs/dbraw/zinc/68/97/10/540689710.db2.gz PKWTXSDZMPRTKO-UHFFFAOYSA-N 0 0 365.363 2.386 50 5 FEBARN COc1cccc(CN(C)C(=O)CCn2cc([N+](=O)[O-])nc2C)c1OC ZINC000058062231 540828580 /nfs/dbraw/zinc/82/85/80/540828580.db2.gz MLXZOAABHITDOI-UHFFFAOYSA-N 0 0 362.386 2.166 50 5 FEBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1NS(C)(=O)=O ZINC000012521205 220002221 /nfs/dbraw/zinc/00/22/21/220002221.db2.gz HANPLGCIACACCH-UHFFFAOYSA-N 0 0 365.367 2.227 50 5 FEBARN CC[C@H](Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000072307293 541798339 /nfs/dbraw/zinc/79/83/39/541798339.db2.gz OEEABHIDGHBTMV-ZDUSSCGKSA-N 0 0 357.432 2.120 50 5 FEBARN CCOC(=O)c1cc(C(=O)N(CC)C[C@@H](C)C(=O)OC)cc([N+](=O)[O-])c1 ZINC000058266450 212002100 /nfs/dbraw/zinc/00/21/00/212002100.db2.gz FJUNSPZZKYPSQU-LLVKDONJSA-N 0 0 366.370 2.043 50 5 FEBARN O=c1ccc([N+](=O)[O-])cn1Cc1cc2c(cc1Br)OCO2 ZINC000014019368 220102944 /nfs/dbraw/zinc/10/29/44/220102944.db2.gz APMYAXFBGNHRPJ-UHFFFAOYSA-N 0 0 353.128 2.296 50 5 FEBARN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000032922242 211575595 /nfs/dbraw/zinc/57/55/95/211575595.db2.gz NPHSXVSIXKOCGT-LBPRGKRZSA-N 0 0 353.338 2.417 50 5 FEBARN COc1cccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1 ZINC000032724193 211556260 /nfs/dbraw/zinc/55/62/60/211556260.db2.gz XNEXYFYUYLLSRQ-UHFFFAOYSA-N 0 0 359.290 2.372 50 5 FEBARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000023596678 211391923 /nfs/dbraw/zinc/39/19/23/211391923.db2.gz FQTAYHOKDSJRSL-OAHLLOKOSA-N 0 0 361.423 2.460 50 5 FEBARN COc1ccc(OC)c2c1CN(c1nc3ccccn3c1[N+](=O)[O-])C[C@@H]2O ZINC000021674380 211320139 /nfs/dbraw/zinc/32/01/39/211320139.db2.gz WLHCZRZZWDNOCS-LBPRGKRZSA-N 0 0 370.365 2.313 50 5 FEBARN CC(=O)Nc1ccc2nc(NC(=O)c3c([N+](=O)[O-])cnn3C)sc2c1 ZINC000020310168 211272935 /nfs/dbraw/zinc/27/29/35/211272935.db2.gz MBDBJYBWCMHDSY-UHFFFAOYSA-N 0 0 360.355 2.149 50 5 FEBARN O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 ZINC000019842082 211259177 /nfs/dbraw/zinc/25/91/77/211259177.db2.gz NJOQCSFSCXIORT-UHFFFAOYSA-N 0 0 361.423 2.101 50 5 FEBARN NC(=O)c1ccc(Cn2nnc(-c3cccc(Cl)c3)n2)c([N+](=O)[O-])c1 ZINC000016117261 211155355 /nfs/dbraw/zinc/15/53/55/211155355.db2.gz ZFVKATOJXAVGEM-UHFFFAOYSA-N 0 0 358.745 2.049 50 5 FEBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000012991458 211016318 /nfs/dbraw/zinc/01/63/18/211016318.db2.gz XHEULNZCXQKGEY-UHFFFAOYSA-N 0 0 353.334 2.496 50 5 FEBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3ccccc3)[n+]2[O-])cc1 ZINC000005005460 210590770 /nfs/dbraw/zinc/59/07/70/210590770.db2.gz QBJMPDBUCOJNOZ-UHFFFAOYSA-N 0 0 355.354 2.077 50 5 FEBARN CCOc1c(Br)cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC ZINC000002459185 210399716 /nfs/dbraw/zinc/39/97/16/210399716.db2.gz SKJQOHGNTLIWTN-MFKMUULPSA-N 0 0 373.203 2.453 50 5 FEBARN O=C(NC[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002315868 210389778 /nfs/dbraw/zinc/38/97/78/210389778.db2.gz AZSDSOMCCCUXHZ-ZDUSSCGKSA-N 0 0 359.294 2.073 50 5 FEBARN Nc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000001316543 210341434 /nfs/dbraw/zinc/34/14/34/210341434.db2.gz HYRNGDXLDCIQNT-MDZDMXLPSA-N 0 0 350.338 2.410 50 5 FEBARN COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000001189425 210331735 /nfs/dbraw/zinc/33/17/35/210331735.db2.gz MSHYVLGLCHUGOE-UHFFFAOYSA-N 0 0 372.333 2.349 50 5 FEBARN CCOc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OC ZINC000001074891 210312901 /nfs/dbraw/zinc/31/29/01/210312901.db2.gz KRRBMLDLDVJQPZ-GXFFZTMASA-N 0 0 373.203 2.453 50 5 FEBARN CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc(F)cc1 ZINC000000864614 210282285 /nfs/dbraw/zinc/28/22/85/210282285.db2.gz NZZVNBNQOIWHKB-UHFFFAOYSA-N 0 0 357.297 2.341 50 5 FEBARN CN(C)c1ccc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cn1 ZINC000032935922 220702137 /nfs/dbraw/zinc/70/21/37/220702137.db2.gz NFBTWKBOJPAHSX-UHFFFAOYSA-N 0 0 352.354 2.494 50 5 FEBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccnn1Cc1cccc(Cl)c1 ZINC000055050182 221057341 /nfs/dbraw/zinc/05/73/41/221057341.db2.gz VEMMTBRSIDJADE-UHFFFAOYSA-N 0 0 360.761 2.328 50 5 FEBARN O=[N+]([O-])c1cccnc1NCc1cccc(OCCN2CCOCC2)c1 ZINC000058165841 221101696 /nfs/dbraw/zinc/10/16/96/221101696.db2.gz SUFZIDLTFMPUOJ-UHFFFAOYSA-N 0 0 358.398 2.313 50 5 FEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000084093095 542708061 /nfs/dbraw/zinc/70/80/61/542708061.db2.gz PRYDPFCTMGXDTE-LSDHHAIUSA-N 0 0 351.428 2.048 50 5 FEBARN CNC(=O)c1ccc(N2CCOC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000095408678 132210685 /nfs/dbraw/zinc/21/06/85/132210685.db2.gz PNMSSSODTACHBI-INIZCTEOSA-N 0 0 355.394 2.402 50 5 FEBARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000054529963 136125472 /nfs/dbraw/zinc/12/54/72/136125472.db2.gz KQQAQGQGAOKFDX-UHFFFAOYSA-N 0 0 356.382 2.061 50 5 FEBARN Cc1nonc1OCCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000055202019 136126267 /nfs/dbraw/zinc/12/62/67/136126267.db2.gz WVVSMVLYFAKBSX-UHFFFAOYSA-N 0 0 367.793 2.141 50 5 FEBARN C[C@@](CO)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000095942055 542983788 /nfs/dbraw/zinc/98/37/88/542983788.db2.gz IZTAXLQEEHLHLY-IBGZPJMESA-N 0 0 373.409 2.497 50 5 FEBARN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncon2)cc1[N+](=O)[O-] ZINC000089652164 221741368 /nfs/dbraw/zinc/74/13/68/221741368.db2.gz LWEZWAHXDCBKHV-LBPRGKRZSA-N 0 0 352.372 2.202 50 5 FEBARN COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])o3)n(C)c2cc1OC ZINC000101035653 222260886 /nfs/dbraw/zinc/26/08/86/222260886.db2.gz WLVKYFUASCEQMR-NXVVXOECSA-N 0 0 363.351 2.499 50 5 FEBARN O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc(F)cc1 ZINC000101051583 222260923 /nfs/dbraw/zinc/26/09/23/222260923.db2.gz HGPWSYYQHHICAG-HIFRSBDPSA-N 0 0 355.281 2.026 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C1=O ZINC000101153389 222263579 /nfs/dbraw/zinc/26/35/79/222263579.db2.gz HDHFHLPFEOKSPN-ZBFHGGJFSA-N 0 0 369.308 2.335 50 5 FEBARN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000102440395 222297177 /nfs/dbraw/zinc/29/71/77/222297177.db2.gz NKHUCUBOFAMHLN-TXEJJXNPSA-N 0 0 363.345 2.238 50 5 FEBARN COc1ccc(OCCN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000020219910 524954718 /nfs/dbraw/zinc/95/47/18/524954718.db2.gz MEMBDYBIHSKFIZ-UHFFFAOYSA-N 0 0 366.395 2.303 50 5 FEBARN CCc1cnc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)o1 ZINC000170598400 546163090 /nfs/dbraw/zinc/16/30/90/546163090.db2.gz LSEFJKZANIZWBP-UHFFFAOYSA-N 0 0 374.353 2.150 50 5 FEBARN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247862190 549386159 /nfs/dbraw/zinc/38/61/59/549386159.db2.gz WMSDOXTWIYFIIX-BJJXKVORSA-N 0 0 361.398 2.339 50 5 FEBARN Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000253405812 549686810 /nfs/dbraw/zinc/68/68/10/549686810.db2.gz QWZZNMXWHNDEII-CYBMUJFWSA-N 0 0 356.382 2.260 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccs1 ZINC000000677441 539332422 /nfs/dbraw/zinc/33/24/22/539332422.db2.gz HSEXYYPDDSBVPA-UHFFFAOYSA-N 0 0 359.205 2.240 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000002702790 539351782 /nfs/dbraw/zinc/35/17/82/539351782.db2.gz QSYDMUCJFPWCKP-TVQRCGJNSA-N 0 0 361.379 2.416 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(CO)cc1 ZINC000003418609 539365493 /nfs/dbraw/zinc/36/54/93/539365493.db2.gz IQNRIGZLRGTKNC-LLVKDONJSA-N 0 0 374.349 2.280 50 5 FEBARN COc1ccc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(OC)c1 ZINC000003521364 539369706 /nfs/dbraw/zinc/36/97/06/539369706.db2.gz ULVJYXRENPDDEY-UHFFFAOYSA-N 0 0 370.317 2.091 50 5 FEBARN CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000004144257 539377471 /nfs/dbraw/zinc/37/74/71/539377471.db2.gz MVSYBBNZRMSFDA-AWEZNQCLSA-N 0 0 365.411 2.437 50 5 FEBARN COC(=O)c1ccc(Nc2c3nonc3c3nonc3c2[N+](=O)[O-])cc1 ZINC000003904316 539374037 /nfs/dbraw/zinc/37/40/37/539374037.db2.gz WNGWXEBMRWLVMN-UHFFFAOYSA-N 0 0 356.254 2.197 50 5 FEBARN COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccco2)C(=O)NC[C@@H]1c1ccc(C)cc1 ZINC000004023108 539375581 /nfs/dbraw/zinc/37/55/81/539375581.db2.gz AGXMJTBTKRHSRW-ZRGWGRIASA-N 0 0 372.377 2.021 50 5 biogenic FEBARN COc1ccc(OC[C@H](O)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004600615 539389397 /nfs/dbraw/zinc/38/93/97/539389397.db2.gz CRJCBGJKYLPKCU-OAHLLOKOSA-N 0 0 360.366 2.115 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000004700446 539390244 /nfs/dbraw/zinc/39/02/44/539390244.db2.gz DSMZJJZAKOPLON-UHFFFAOYSA-N 0 0 364.379 2.157 50 5 FEBARN Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc12 ZINC000004708983 539390013 /nfs/dbraw/zinc/39/00/13/539390013.db2.gz LHXJGGCTOOCKLZ-UHFFFAOYSA-N 0 0 357.435 2.331 50 5 FEBARN O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004854937 539393971 /nfs/dbraw/zinc/39/39/71/539393971.db2.gz VIVCWFZPDUZJSW-UHFFFAOYSA-N 0 0 356.367 2.301 50 5 FEBARN COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1[N+](=O)[O-] ZINC000005121146 539402827 /nfs/dbraw/zinc/40/28/27/539402827.db2.gz KJYJCNMEYILWAP-NSHDSACASA-N 0 0 351.384 2.170 50 5 FEBARN COc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC ZINC000005126764 539403599 /nfs/dbraw/zinc/40/35/99/539403599.db2.gz GCQFWHUVKDIDEW-UHFFFAOYSA-N 0 0 368.367 2.421 50 5 FEBARN CNc1nn(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000005209341 539405308 /nfs/dbraw/zinc/40/53/08/539405308.db2.gz BNUVFXSKCARCJU-UHFFFAOYSA-N 0 0 350.278 2.089 50 5 FEBARN C[C@H]1CN(c2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000005253076 539406346 /nfs/dbraw/zinc/40/63/46/539406346.db2.gz SCKSIWYTCQPREJ-RYUDHWBXSA-N 0 0 358.402 2.193 50 5 FEBARN CN(C)c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005585946 539413180 /nfs/dbraw/zinc/41/31/80/539413180.db2.gz XOAUYJHFDRYQFT-UHFFFAOYSA-N 0 0 351.340 2.402 50 5 FEBARN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006183546 539422853 /nfs/dbraw/zinc/42/28/53/539422853.db2.gz NXSDYYVEWVZUAL-LLVKDONJSA-N 0 0 372.337 2.051 50 5 FEBARN COc1ccc(NC(=O)CN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000006309861 539424894 /nfs/dbraw/zinc/42/48/94/539424894.db2.gz QWHVLPQEHLEEOA-UHFFFAOYSA-N 0 0 373.365 2.079 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 ZINC000006610452 539431614 /nfs/dbraw/zinc/43/16/14/539431614.db2.gz BIBIVZLODXDBDK-UHFFFAOYSA-N 0 0 374.305 2.128 50 5 FEBARN O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)N1CCc2ccccc21 ZINC000007976920 539473055 /nfs/dbraw/zinc/47/30/55/539473055.db2.gz ZROUGFPSBIWLER-UHFFFAOYSA-N 0 0 356.382 2.000 50 5 FEBARN C[C@@H]1Cc2ccccc2N1C(=O)CNc1cc([N+](=O)[O-])ccc1NCCO ZINC000007976923 539473166 /nfs/dbraw/zinc/47/31/66/539473166.db2.gz ZGCVCERBUAUVOL-CYBMUJFWSA-N 0 0 370.409 2.389 50 5 FEBARN Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000009117935 539498081 /nfs/dbraw/zinc/49/80/81/539498081.db2.gz ROVBTUCUWMTVLJ-UHFFFAOYSA-N 0 0 361.423 2.414 50 5 FEBARN Cc1nn(Cc2nc(N)nc(Nc3ccccc3C)n2)c(C)c1[N+](=O)[O-] ZINC000009635419 539506233 /nfs/dbraw/zinc/50/62/33/539506233.db2.gz QUJBJGKSGVNHFK-UHFFFAOYSA-N 0 0 354.374 2.276 50 5 FEBARN COC(=O)c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000009479279 539502647 /nfs/dbraw/zinc/50/26/47/539502647.db2.gz ZOHVIWBPSARFSA-UHFFFAOYSA-N 0 0 372.333 2.485 50 5 FEBARN CN(C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000011851767 539537238 /nfs/dbraw/zinc/53/72/38/539537238.db2.gz UHGCAKADCQXDOD-NSHDSACASA-N 0 0 364.379 2.114 50 5 FEBARN COC(=O)c1ccccc1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000012735348 539572009 /nfs/dbraw/zinc/57/20/09/539572009.db2.gz HCWGPNYSNAWNKN-UHFFFAOYSA-N 0 0 370.361 2.449 50 5 FEBARN c1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CCC5 ZINC000020325993 539674387 /nfs/dbraw/zinc/67/43/87/539674387.db2.gz KIBMSMOZLKVWTR-UHFFFAOYSA-N 0 0 352.423 2.213 50 5 FEBARN O=[N+]([O-])c1ccc(-c2nnc3ccc4nnc(Br)n4n32)cc1 ZINC000000848431 219331340 /nfs/dbraw/zinc/33/13/40/219331340.db2.gz ADUAEOZFCOQQPB-UHFFFAOYSA-N 0 0 360.131 2.110 50 5 FEBARN O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(I)cc1 ZINC000001049893 219358360 /nfs/dbraw/zinc/35/83/60/219358360.db2.gz HJLLEYNDLAQBHS-UHFFFAOYSA-N 0 0 372.122 2.035 50 5 FEBARN Cc1cc(C)n2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2n1 ZINC000001062349 219362098 /nfs/dbraw/zinc/36/20/98/219362098.db2.gz GHPRWLOQRIRYSE-UHFFFAOYSA-N 0 0 358.383 2.380 50 5 FEBARN CSc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCOCC2)c1 ZINC000032842905 539955818 /nfs/dbraw/zinc/95/58/18/539955818.db2.gz POHSAPCKKGFWKT-UHFFFAOYSA-N 0 0 353.444 2.157 50 5 FEBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCC3)c([N+](=O)[O-])c2)C1 ZINC000032899470 539957895 /nfs/dbraw/zinc/95/78/95/539957895.db2.gz XUMKLCOORKUIGE-CHWSQXEVSA-N 0 0 353.444 2.472 50 5 FEBARN CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C1=CSc2nnc(C)n2N1 ZINC000033530398 539974624 /nfs/dbraw/zinc/97/46/24/539974624.db2.gz GYYIYRKGEJRBQJ-JYRVWZFOSA-N 0 0 373.394 2.451 50 5 FEBARN CCC(CC)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000035593275 539983065 /nfs/dbraw/zinc/98/30/65/539983065.db2.gz BVBXNFFKPWFPHR-UHFFFAOYSA-N 0 0 370.475 2.131 50 5 FEBARN COc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C)c1 ZINC000037275870 539996166 /nfs/dbraw/zinc/99/61/66/539996166.db2.gz ZADPVGDAWAFVQK-ZDUSSCGKSA-N 0 0 369.377 2.481 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000038946827 540001692 /nfs/dbraw/zinc/00/16/92/540001692.db2.gz ZSKLRRXIMMLZQS-GJZGRUSLSA-N 0 0 369.377 2.276 50 5 FEBARN COC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCCN(c2ncccn2)C1 ZINC000040153780 540008180 /nfs/dbraw/zinc/00/81/80/540008180.db2.gz GMDJPNFDTNVVKC-GFCCVEGCSA-N 0 0 357.370 2.252 50 5 FEBARN CCOC(=O)N1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000043126923 540089959 /nfs/dbraw/zinc/08/99/59/540089959.db2.gz FRMMDLJDZHEQDL-UHFFFAOYSA-N 0 0 366.374 2.346 50 5 FEBARN O=c1c2nnn(-c3ccc(F)cc3)c2ncn1Cc1cccc([N+](=O)[O-])c1 ZINC000004266804 219559948 /nfs/dbraw/zinc/55/99/48/219559948.db2.gz SHXSSXIIJSMCRK-UHFFFAOYSA-N 0 0 366.312 2.073 50 5 FEBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2ccccc2)C1=O ZINC000004307148 219564159 /nfs/dbraw/zinc/56/41/59/219564159.db2.gz QQYLPAONOXHRJD-GOSISDBHSA-N 0 0 355.350 2.441 50 5 FEBARN Cc1cc(Nc2ccc3c(c2)OCCO3)nc(-n2cc([N+](=O)[O-])cn2)n1 ZINC000004331222 219566851 /nfs/dbraw/zinc/56/68/51/219566851.db2.gz MCGDFHZDHSURFL-UHFFFAOYSA-N 0 0 354.326 2.394 50 5 FEBARN COCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000005125609 219652160 /nfs/dbraw/zinc/65/21/60/219652160.db2.gz ZPNDITSAZLQWMM-GHRIWEEISA-N 0 0 369.377 2.128 50 5 FEBARN CC(C)(C)OC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072313976 541798591 /nfs/dbraw/zinc/79/85/91/541798591.db2.gz WDJZWJXYFMXPPR-CYBMUJFWSA-N 0 0 356.400 2.090 50 5 FEBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc2c(c1)OC(F)(F)O2 ZINC000012641170 220015312 /nfs/dbraw/zinc/01/53/12/220015312.db2.gz HEXKBAQPLPMNPW-UHFFFAOYSA-N 0 0 353.237 2.329 50 5 FEBARN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000012857880 220035630 /nfs/dbraw/zinc/03/56/30/220035630.db2.gz LUELETDKYDJWDE-UHFFFAOYSA-N 0 0 355.350 2.320 50 5 FEBARN O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000014851655 220134148 /nfs/dbraw/zinc/13/41/48/220134148.db2.gz IEKPLHGYSIXYLF-KRWDZBQOSA-N 0 0 370.361 2.352 50 5 FEBARN CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3c2cc([N+](=O)[O-])cc3C)N2CCC[C@@H]12 ZINC000015023087 220142957 /nfs/dbraw/zinc/14/29/57/220142957.db2.gz NYPNDGMZDCMCRO-IAISJRAMSA-N 0 0 359.382 2.098 50 5 FEBARN CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(Cl)cc1 ZINC000019318750 220250039 /nfs/dbraw/zinc/25/00/39/220250039.db2.gz IERITTBEFMUWLJ-UHFFFAOYSA-N 0 0 366.805 2.041 50 5 FEBARN CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020602075 220334800 /nfs/dbraw/zinc/33/48/00/220334800.db2.gz UNYAPMAPRMHETM-UHFFFAOYSA-N 0 0 358.807 2.285 50 5 FEBARN Cc1ccc(S(=O)(=O)N(C)Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000022279164 220381458 /nfs/dbraw/zinc/38/14/58/220381458.db2.gz ORFUBENSAWDMOP-UHFFFAOYSA-N 0 0 364.379 2.453 50 5 FEBARN Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1[N+](=O)[O-] ZINC000025525197 220491697 /nfs/dbraw/zinc/49/16/97/220491697.db2.gz FCLWXWMVYRHUFB-INIZCTEOSA-N 0 0 352.354 2.312 50 5 FEBARN Cc1ccc(C(=O)NCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000028000482 220556379 /nfs/dbraw/zinc/55/63/79/220556379.db2.gz ANOMWFZJLSLKFX-UHFFFAOYSA-N 0 0 359.357 2.131 50 5 FEBARN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000040152783 220890846 /nfs/dbraw/zinc/89/08/46/220890846.db2.gz PLASOCCMWUJAKX-UHFFFAOYSA-N 0 0 363.337 2.164 50 5 FEBARN Cc1nn(C)c(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000057140803 221083819 /nfs/dbraw/zinc/08/38/19/221083819.db2.gz PHBAYYRDTUSDOU-CQSZACIVSA-N 0 0 371.441 2.479 50 5 FEBARN Cc1nn(CN2CCC(C(=O)Nc3nccs3)CC2)c(C)c1[N+](=O)[O-] ZINC000058162429 221100682 /nfs/dbraw/zinc/10/06/82/221100682.db2.gz OPQAMKUYTPLGBR-UHFFFAOYSA-N 0 0 364.431 2.173 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)c1C ZINC000060348771 221128772 /nfs/dbraw/zinc/12/87/72/221128772.db2.gz QHKMBTZXEKXNRA-CQSZACIVSA-N 0 0 370.427 2.128 50 5 FEBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000102782626 132236078 /nfs/dbraw/zinc/23/60/78/132236078.db2.gz UPPLEJBTINSBBP-GJZGRUSLSA-N 0 0 373.409 2.236 50 5 FEBARN O=[N+]([O-])c1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1 ZINC000003503788 132385396 /nfs/dbraw/zinc/38/53/96/132385396.db2.gz FKFVQCLEDSWOQT-UHFFFAOYSA-N 0 0 366.381 2.362 50 5 FEBARN O=[N+]([O-])c1c2nonc2c(N2CCOCC2)cc1Nc1ccc(O)cc1 ZINC000004116741 132386468 /nfs/dbraw/zinc/38/64/68/132386468.db2.gz TWHAHHZBAQHETH-UHFFFAOYSA-N 0 0 357.326 2.417 50 5 FEBARN O=C(CN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1)N1CCCCCC1 ZINC000058304121 136131432 /nfs/dbraw/zinc/13/14/32/136131432.db2.gz NYDUMXIXASCYPO-UHFFFAOYSA-N 0 0 364.421 2.259 50 5 FEBARN O=C(CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cccnc1 ZINC000096231824 222093324 /nfs/dbraw/zinc/09/33/24/222093324.db2.gz SSISTRYNWQNOJW-UHFFFAOYSA-N 0 0 353.338 2.119 50 5 FEBARN CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n([C@@H](C)CC)c1=N ZINC000100628098 222247676 /nfs/dbraw/zinc/24/76/76/222247676.db2.gz MFGNACJBQKZHGH-LBPRGKRZSA-N 0 0 353.426 2.158 50 5 FEBARN Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c([N+](=O)[O-])c1 ZINC000102547376 222300284 /nfs/dbraw/zinc/30/02/84/222300284.db2.gz FTDYQMSFZJWCGX-CHWSQXEVSA-N 0 0 357.366 2.183 50 5 FEBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCc3ccccc3OC)[n+]2[O-])cc1 ZINC000005005454 263337981 /nfs/dbraw/zinc/33/79/81/263337981.db2.gz PSRNWCJOAZMBEA-UHFFFAOYSA-N 0 0 371.353 2.043 50 5 FEBARN C[C@H](C(N)=O)N(C)C(=O)c1ccc(N[C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000170592833 546162144 /nfs/dbraw/zinc/16/21/44/546162144.db2.gz MJMBOMLYLCTACM-NWDGAFQWSA-N 0 0 371.397 2.109 50 5 FEBARN O=C(N[C@@H]1COc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000084579179 571090364 /nfs/dbraw/zinc/09/03/64/571090364.db2.gz VMARPCNPKKEVFP-MRXNPFEDSA-N 0 0 369.377 2.295 50 5 FEBARN O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nnc(CCc2ccccc2)s1 ZINC000001432657 539341724 /nfs/dbraw/zinc/34/17/24/539341724.db2.gz IZXJGSCDOOIOMY-UHFFFAOYSA-N 0 0 358.383 2.067 50 5 FEBARN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NCCc1ccccc1 ZINC000002546317 539348773 /nfs/dbraw/zinc/34/87/73/539348773.db2.gz NUXBVRKMIOCPRL-UHFFFAOYSA-N 0 0 359.407 2.207 50 5 FEBARN Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)NCc2ccco2)n1 ZINC000002795628 539353997 /nfs/dbraw/zinc/35/39/97/539353997.db2.gz HQRPYDLEEVBAPI-UHFFFAOYSA-N 0 0 369.337 2.104 50 5 FEBARN CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003296366 539362513 /nfs/dbraw/zinc/36/25/13/539362513.db2.gz ZVCUQXVMAXDUSN-UHFFFAOYSA-N 0 0 357.750 2.029 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000003506785 539368882 /nfs/dbraw/zinc/36/88/82/539368882.db2.gz JMZNUTBHUFRZIM-UHFFFAOYSA-N 0 0 371.271 2.423 50 5 FEBARN CC(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004187725 539378569 /nfs/dbraw/zinc/37/85/69/539378569.db2.gz HZXNLLRBDYYHQS-UHFFFAOYSA-N 0 0 362.264 2.190 50 5 FEBARN NC(=O)COc1ccc(-c2noc(COc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000003642557 539373718 /nfs/dbraw/zinc/37/37/18/539373718.db2.gz MAHJPOINUGILIA-UHFFFAOYSA-N 0 0 370.321 2.088 50 5 FEBARN NS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000003893831 539374317 /nfs/dbraw/zinc/37/43/17/539374317.db2.gz WHUGOBKJWMVLQC-UHFFFAOYSA-N 0 0 355.759 2.148 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1cn2ccccc2n1 ZINC000004248491 539379440 /nfs/dbraw/zinc/37/94/40/539379440.db2.gz VARRUQVPUXBGEA-UHFFFAOYSA-N 0 0 360.395 2.072 50 5 FEBARN CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O ZINC000004551116 539388157 /nfs/dbraw/zinc/38/81/57/539388157.db2.gz RIOMVMHFKLKTAU-KPKJPENVSA-N 0 0 366.351 2.203 50 5 FEBARN O=C(c1ccco1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004685275 539390268 /nfs/dbraw/zinc/39/02/68/539390268.db2.gz MZXGMICQDNFJRB-UHFFFAOYSA-N 0 0 360.395 2.343 50 5 FEBARN CC(C)(C)CNc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000004741012 539391493 /nfs/dbraw/zinc/39/14/93/539391493.db2.gz DKQBKWLAEFLWHP-UHFFFAOYSA-N 0 0 370.475 2.134 50 5 FEBARN Cc1c(Nc2ccc([N+](=O)[O-])ccc2=O)c(=O)n(-c2ccccc2)n1C ZINC000004828768 539393025 /nfs/dbraw/zinc/39/30/25/539393025.db2.gz WGGBTXHCNOOHBI-UHFFFAOYSA-N 0 0 352.350 2.496 50 5 FEBARN C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)c(=O)n2C)c1ccccc1 ZINC000004856970 539393843 /nfs/dbraw/zinc/39/38/43/539393843.db2.gz OSFMCKVTXCZYGY-LLVKDONJSA-N 0 0 354.366 2.319 50 5 FEBARN COc1ccccc1Nc1nc(N2C[C@H](C)O[C@@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000005032320 539400273 /nfs/dbraw/zinc/40/02/73/539400273.db2.gz BTKBHYUHSTZIPQ-QWRGUYRKSA-N 0 0 374.401 2.333 50 5 FEBARN CC1(C)OC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)O1 ZINC000005351489 539409475 /nfs/dbraw/zinc/40/94/75/539409475.db2.gz SRDDTRXHLCREPU-AWEZNQCLSA-N 0 0 360.366 2.332 50 5 FEBARN C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000005657308 539414429 /nfs/dbraw/zinc/41/44/29/539414429.db2.gz XNQXJVAMOZPUSR-NSHDSACASA-N 0 0 355.350 2.312 50 5 FEBARN O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc2c(c1)OCCO2 ZINC000005752498 539416300 /nfs/dbraw/zinc/41/63/00/539416300.db2.gz ALOBTLSSZMVAKP-UHFFFAOYSA-N 0 0 373.317 2.171 50 5 FEBARN COc1ccc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000006378081 539427621 /nfs/dbraw/zinc/42/76/21/539427621.db2.gz NBOKEHUVZNGJGW-UHFFFAOYSA-N 0 0 357.366 2.040 50 5 FEBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC(=O)NC1CCCCC1 ZINC000007007178 539444582 /nfs/dbraw/zinc/44/45/82/539444582.db2.gz KKVVJOAFXWRORB-SECBINFHSA-N 0 0 369.399 2.360 50 5 FEBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1NCCO ZINC000007990876 539473890 /nfs/dbraw/zinc/47/38/90/539473890.db2.gz JKBSVSXCCIUDTO-UHFFFAOYSA-N 0 0 361.310 2.264 50 5 FEBARN COc1cccc(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000008379046 539485563 /nfs/dbraw/zinc/48/55/63/539485563.db2.gz KDRMHESNMQMYOV-UHFFFAOYSA-N 0 0 357.366 2.040 50 5 FEBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)COCc1ccccc1F ZINC000009690785 539506927 /nfs/dbraw/zinc/50/69/27/539506927.db2.gz WZSITULDQPNETQ-CQSZACIVSA-N 0 0 373.340 2.022 50 5 FEBARN COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000009479286 539503070 /nfs/dbraw/zinc/50/30/70/539503070.db2.gz LEYUBGZSMNSOFY-UHFFFAOYSA-N 0 0 372.333 2.485 50 5 FEBARN CN(C(=O)Cn1nc(-c2cccs2)oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000011285814 539526966 /nfs/dbraw/zinc/52/69/66/539526966.db2.gz KQHCPDRYSPHTGM-UHFFFAOYSA-N 0 0 360.351 2.136 50 5 FEBARN CC[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000012521972 539561983 /nfs/dbraw/zinc/56/19/83/539561983.db2.gz RBFLAWYRZOQZIK-CQSZACIVSA-N 0 0 371.441 2.180 50 5 FEBARN CCN(CC)C(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000023799705 539720853 /nfs/dbraw/zinc/72/08/53/539720853.db2.gz CKPTWOINEAHDEH-UHFFFAOYSA-N 0 0 362.430 2.135 50 5 FEBARN Cc1ccc(OC[C@H](O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 ZINC000024095947 539725972 /nfs/dbraw/zinc/72/59/72/539725972.db2.gz XWLPYWVGEOJKBO-CYBMUJFWSA-N 0 0 370.361 2.248 50 5 FEBARN COc1ccc(CN2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000024306921 539729573 /nfs/dbraw/zinc/72/95/73/539729573.db2.gz OYEBRBKJGFVKCM-UHFFFAOYSA-N 0 0 369.421 2.490 50 5 FEBARN Cc1nn(C)c(C)c1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000024982737 539744979 /nfs/dbraw/zinc/74/49/79/539744979.db2.gz IILTXOACNIUXOK-UHFFFAOYSA-N 0 0 359.386 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O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1C(=O)c1ccccc1 ZINC000055797747 221074646 /nfs/dbraw/zinc/07/46/46/221074646.db2.gz ZLRCGYGEPDNHQS-INIZCTEOSA-N 0 0 371.418 2.426 50 5 FEBARN Cc1cn(C[C@H](O)COc2ccccc2)c(=O)n1-c1cccc([N+](=O)[O-])c1 ZINC000058129634 221098714 /nfs/dbraw/zinc/09/87/14/221098714.db2.gz NKQSNLHVRUUDPW-KRWDZBQOSA-N 0 0 369.377 2.296 50 5 FEBARN COC(=O)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000058342285 221114191 /nfs/dbraw/zinc/11/41/91/221114191.db2.gz FPSMEKJYHPNVCV-KRWDZBQOSA-N 0 0 373.365 2.046 50 5 FEBARN CCO[C@H]1CCCN(S(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000078967700 542491618 /nfs/dbraw/zinc/49/16/18/542491618.db2.gz CHNKDKPTNYIEAR-LBPRGKRZSA-N 0 0 353.400 2.266 50 5 FEBARN COc1cc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1Cl ZINC000072332100 221468783 /nfs/dbraw/zinc/46/87/83/221468783.db2.gz OGCBRFJNTYBCRF-UHFFFAOYSA-N 0 0 354.750 2.409 50 5 FEBARN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nncn1C ZINC000170606131 132264572 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FEBARN Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000005683002 539414807 /nfs/dbraw/zinc/41/48/07/539414807.db2.gz IUNTUFITWFLIQR-UHFFFAOYSA-N 0 0 363.395 2.210 50 5 FEBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1F ZINC000006533111 539429877 /nfs/dbraw/zinc/42/98/77/539429877.db2.gz FSKADOWFKLGIBB-UHFFFAOYSA-N 0 0 362.313 2.178 50 5 FEBARN O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 ZINC000007954203 539472348 /nfs/dbraw/zinc/47/23/48/539472348.db2.gz PALNAUKLHJGQHP-UHFFFAOYSA-N 0 0 356.382 2.482 50 5 FEBARN COc1ccc([C@@H](C)NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1F ZINC000008771479 539492351 /nfs/dbraw/zinc/49/23/51/539492351.db2.gz JBPIMKOETSQHNW-SECBINFHSA-N 0 0 350.350 2.433 50 5 FEBARN O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1)N1CCOCC1 ZINC000014330828 539601654 /nfs/dbraw/zinc/60/16/54/539601654.db2.gz IQKBCVHHNUDOSH-LBPRGKRZSA-N 0 0 353.806 2.323 50 5 FEBARN O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000015382094 539617047 /nfs/dbraw/zinc/61/70/47/539617047.db2.gz QGZMDCHFNLIJRC-SFHVURJKSA-N 0 0 369.377 2.083 50 5 FEBARN Cc1cc(C)n2nc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2n1 ZINC000020418905 539674592 /nfs/dbraw/zinc/67/45/92/539674592.db2.gz QZNOHSDEFMQVIT-UHFFFAOYSA-N 0 0 360.761 2.233 50 5 FEBARN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000024178433 539727561 /nfs/dbraw/zinc/72/75/61/539727561.db2.gz PXMVMUUQKQHRMZ-SFHVURJKSA-N 0 0 355.394 2.398 50 5 FEBARN O=C(CSc1nncn1-c1cccnc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000890089 219336529 /nfs/dbraw/zinc/33/65/29/219336529.db2.gz RIXWNCBKBXQIDW-UHFFFAOYSA-N 0 0 356.367 2.301 50 5 FEBARN COCCCn1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O ZINC000038828992 540000768 /nfs/dbraw/zinc/00/07/68/540000768.db2.gz QOASXMCGQTVXHV-UHFFFAOYSA-N 0 0 362.389 2.132 50 5 FEBARN COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002831272 219469131 /nfs/dbraw/zinc/46/91/31/219469131.db2.gz BDWRHHADIGLFLL-OAHLLOKOSA-N 0 0 373.321 2.017 50 5 FEBARN COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000003441931 219510560 /nfs/dbraw/zinc/51/05/60/219510560.db2.gz HTBUZICVYROVLG-UHFFFAOYSA-N 0 0 365.729 2.447 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000042180278 540055153 /nfs/dbraw/zinc/05/51/53/540055153.db2.gz SWOFSYCUQLJSPA-UHFFFAOYSA-N 0 0 369.333 2.147 50 5 FEBARN Cc1cc(C)n(-c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 ZINC000003885900 219527579 /nfs/dbraw/zinc/52/75/79/219527579.db2.gz CELRMDRRDPUSEC-UHFFFAOYSA-N 0 0 350.400 2.182 50 5 FEBARN COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004135768 219547418 /nfs/dbraw/zinc/54/74/18/219547418.db2.gz HYMQARAMCNOPHN-LLVKDONJSA-N 0 0 374.378 2.345 50 5 FEBARN Nn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1 ZINC000005257236 219666002 /nfs/dbraw/zinc/66/60/02/219666002.db2.gz LBVPSNUIBSEIDQ-UHFFFAOYSA-N 0 0 370.394 2.298 50 5 FEBARN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000007966766 219835673 /nfs/dbraw/zinc/83/56/73/219835673.db2.gz GQYPZZOPNLBQBF-UHFFFAOYSA-N 0 0 363.395 2.406 50 5 FEBARN CCOC(=O)C(=Cc1cccc([N+](=O)[O-])c1)C1=CSc2nnc(C)n2N1 ZINC000008476382 219863024 /nfs/dbraw/zinc/86/30/24/219863024.db2.gz GYYIYRKGEJRBQJ-MDWZMJQESA-N 0 0 373.394 2.451 50 5 FEBARN O=C(COC(=O)c1cc(=O)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000009319192 219877709 /nfs/dbraw/zinc/87/77/09/219877709.db2.gz IJJVYRKFJBGTEH-UHFFFAOYSA-N 0 0 352.302 2.476 50 5 FEBARN COC(=O)c1cccc(OCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000060086186 540868132 /nfs/dbraw/zinc/86/81/32/540868132.db2.gz JZPVTAYVAGNILU-UHFFFAOYSA-N 0 0 370.317 2.056 50 5 FEBARN CN(C(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc([N+](=O)[O-])cc1 ZINC000011260614 219917214 /nfs/dbraw/zinc/91/72/14/219917214.db2.gz FGTKVIDCBVSIIK-UHFFFAOYSA-N 0 0 372.312 2.214 50 5 FEBARN C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072408178 541806293 /nfs/dbraw/zinc/80/62/93/541806293.db2.gz ZSNBULUWSFJZPS-WDEREUQCSA-N 0 0 356.400 2.223 50 5 FEBARN O=C(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCOCC1 ZINC000013714397 220088634 /nfs/dbraw/zinc/08/86/34/220088634.db2.gz PUYMGAXXTGWSRR-UHFFFAOYSA-N 0 0 369.377 2.248 50 5 FEBARN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000019163175 220239456 /nfs/dbraw/zinc/23/94/56/220239456.db2.gz NKHUCUBOFAMHLN-RYUDHWBXSA-N 0 0 363.345 2.238 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019288165 220246831 /nfs/dbraw/zinc/24/68/31/220246831.db2.gz WCINJEJRWDCPBM-UHFFFAOYSA-N 0 0 361.423 2.101 50 5 FEBARN CN1CCN(C(=S)SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000019800850 220298822 /nfs/dbraw/zinc/29/88/22/220298822.db2.gz RIDNIIQMSKZPHE-UHFFFAOYSA-N 0 0 356.429 2.269 50 5 FEBARN Cc1nn(CC(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)c1Cl ZINC000047303341 220990774 /nfs/dbraw/zinc/99/07/74/220990774.db2.gz LMICYUSRCXDTJE-UHFFFAOYSA-N 0 0 351.794 2.290 50 5 FEBARN CCN1CCN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)CC1 ZINC000004305961 132386651 /nfs/dbraw/zinc/38/66/51/132386651.db2.gz DKZUUWUNCPYXNK-UHFFFAOYSA-N 0 0 357.418 2.161 50 5 FEBARN C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(Nc3cccc(F)c3)n2)C[C@@H](C)O1 ZINC000004306377 132386770 /nfs/dbraw/zinc/38/67/70/132386770.db2.gz ZTAVCUIVQZYFDW-NXEZZACHSA-N 0 0 362.365 2.463 50 5 FEBARN O=C(CCN1C(=O)COc2ccccc21)OCc1ccc([N+](=O)[O-])cc1 ZINC000007222901 132839504 /nfs/dbraw/zinc/83/95/04/132839504.db2.gz LNCGNFZSRFMYLS-UHFFFAOYSA-N 0 0 356.334 2.454 50 5 FEBARN C[C@H](Cn1ccnc1)NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000048251430 136123063 /nfs/dbraw/zinc/12/30/63/136123063.db2.gz TVZJJDVSECATDU-CQSZACIVSA-N 0 0 357.414 2.213 50 5 FEBARN O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000057363956 136128822 /nfs/dbraw/zinc/12/88/22/136128822.db2.gz GOXSFFUONZIJPK-UHFFFAOYSA-N 0 0 356.382 2.061 50 5 FEBARN O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc(F)cc1 ZINC000103559507 222338686 /nfs/dbraw/zinc/33/86/86/222338686.db2.gz HGPWSYYQHHICAG-UKRRQHHQSA-N 0 0 355.281 2.026 50 5 FEBARN CNS(=O)(=O)c1ccc(C)c(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000024879705 263387717 /nfs/dbraw/zinc/38/77/17/263387717.db2.gz LRPTWEYHZKOGII-UHFFFAOYSA-N 0 0 363.395 2.372 50 5 FEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000247323756 549319083 /nfs/dbraw/zinc/31/90/83/549319083.db2.gz MRFKRSXMIDLDGF-QWHCGFSZSA-N 0 0 372.468 2.270 50 5 FEBARN Cc1nccn1-c1cc(CNC(=O)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000047011940 570878291 /nfs/dbraw/zinc/87/82/91/570878291.db2.gz WAQHAUBXCPSNGQ-UHFFFAOYSA-N 0 0 351.366 2.343 50 5 FEBARN COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000001105690 539338974 /nfs/dbraw/zinc/33/89/74/539338974.db2.gz YBKFDPBXGCHRAX-LBPRGKRZSA-N 0 0 371.296 2.339 50 5 FEBARN COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1 ZINC000001436558 539342228 /nfs/dbraw/zinc/34/22/28/539342228.db2.gz TYCIMLGRWJLPGV-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000002875826 539355757 /nfs/dbraw/zinc/35/57/57/539355757.db2.gz RJUQWMPOEWLLED-UHFFFAOYSA-N 0 0 363.395 2.244 50 5 FEBARN CCOCc1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 ZINC000002848382 539355090 /nfs/dbraw/zinc/35/50/90/539355090.db2.gz YPJYXSUGINSAOG-UHFFFAOYSA-N 0 0 366.355 2.022 50 5 FEBARN C[C@@H]1CN(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000003332712 539363656 /nfs/dbraw/zinc/36/36/56/539363656.db2.gz JUGMRPAATCXWQP-NXEZZACHSA-N 0 0 356.762 2.041 50 5 FEBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)cc1 ZINC000004306160 539381300 /nfs/dbraw/zinc/38/13/00/539381300.db2.gz WCTYWDMAAFIPFF-CYBMUJFWSA-N 0 0 358.402 2.478 50 5 FEBARN CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004499183 539386074 /nfs/dbraw/zinc/38/60/74/539386074.db2.gz LHRUPLYFOKRTAO-UHFFFAOYSA-N 0 0 350.394 2.393 50 5 FEBARN CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1ccc(C)c(OC)c1 ZINC000004810908 539393212 /nfs/dbraw/zinc/39/32/12/539393212.db2.gz PNZBHFMHAUZKHS-ZDUSSCGKSA-N 0 0 353.371 2.106 50 5 FEBARN O=C(NCCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004885613 539395032 /nfs/dbraw/zinc/39/50/32/539395032.db2.gz KZQCSFOWTOTJQO-UHFFFAOYSA-N 0 0 355.394 2.404 50 5 FEBARN CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000004913481 539395626 /nfs/dbraw/zinc/39/56/26/539395626.db2.gz RKYIPQKAHZQMDY-GXTWGEPZSA-N 0 0 360.366 2.195 50 5 FEBARN COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3ccc(C)cc3)[n+]2[O-])cc1 ZINC000005005456 539399359 /nfs/dbraw/zinc/39/93/59/539399359.db2.gz ALCSYYPCSXYBDD-UHFFFAOYSA-N 0 0 369.381 2.386 50 5 FEBARN Cc1nn(CC(=O)OCc2cn3cc(Cl)ccc3n2)c(C)c1[N+](=O)[O-] ZINC000005692028 539414551 /nfs/dbraw/zinc/41/45/51/539414551.db2.gz DAPIGWDQHZGGCA-UHFFFAOYSA-N 0 0 363.761 2.453 50 5 FEBARN CC1=C[C@](O)(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])N1 ZINC000006394898 539427192 /nfs/dbraw/zinc/42/71/92/539427192.db2.gz KACKWDABUDXXJT-RNCFNFMXSA-N 0 0 361.276 2.221 50 5 FEBARN CCOC(=O)c1cnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc1N ZINC000006386634 539426807 /nfs/dbraw/zinc/42/68/07/539426807.db2.gz HFROEUBACYTJLZ-UHFFFAOYSA-N 0 0 362.367 2.119 50 5 FEBARN CN(C)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000006530287 539429493 /nfs/dbraw/zinc/42/94/93/539429493.db2.gz HEBATKRACQCGTB-GFCCVEGCSA-N 0 0 373.818 2.422 50 5 FEBARN COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000006533634 539429705 /nfs/dbraw/zinc/42/97/05/539429705.db2.gz GYYXCMDKODTZHO-SNVBAGLBSA-N 0 0 359.338 2.370 50 5 FEBARN O=C(c1ccccc1)c1ccc(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1 ZINC000006923293 539441735 /nfs/dbraw/zinc/44/17/35/539441735.db2.gz ICNKTSXSNRRFEF-AWEZNQCLSA-N 0 0 360.391 2.425 50 5 FEBARN N=c1sccn1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000006888760 539440181 /nfs/dbraw/zinc/44/01/81/539440181.db2.gz SIBRUEWYMVYRBL-UHFFFAOYSA-N 0 0 357.189 2.338 50 5 FEBARN CNC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)c2ccccc2O1 ZINC000007825794 539467757 /nfs/dbraw/zinc/46/77/57/539467757.db2.gz PHDLFJCLTCNWDS-INIZCTEOSA-N 0 0 355.350 2.057 50 5 FEBARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3C)cc1[N+](=O)[O-] ZINC000008734982 539490683 /nfs/dbraw/zinc/49/06/83/539490683.db2.gz ODWNUMNPCIIGLJ-UHFFFAOYSA-N 0 0 358.383 2.311 50 5 FEBARN COc1cc(C(=O)Nc2nnc(SC)s2)c([N+](=O)[O-])cc1OC ZINC000009368398 539502537 /nfs/dbraw/zinc/50/25/37/539502537.db2.gz WUXIBQMKACKYBN-UHFFFAOYSA-N 0 0 356.385 2.438 50 5 FEBARN CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000010335356 539515992 /nfs/dbraw/zinc/51/59/92/539515992.db2.gz QRLJMLJLDZKGDC-MRXNPFEDSA-N 0 0 367.402 2.315 50 5 FEBARN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ncc([N+](=O)[O-])s1 ZINC000010683100 539519206 /nfs/dbraw/zinc/51/92/06/539519206.db2.gz CQGVYSBRALFMKX-UHFFFAOYSA-N 0 0 368.758 2.069 50 5 FEBARN Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(C)ccn1 ZINC000001316656 219394611 /nfs/dbraw/zinc/39/46/11/219394611.db2.gz DNFWIMBHXOXSEE-UHFFFAOYSA-N 0 0 354.164 2.204 50 5 FEBARN CCOC(=O)C1CCN(S(=O)(=O)c2cc(C)c(C)c([N+](=O)[O-])c2)CC1 ZINC000031903942 539922376 /nfs/dbraw/zinc/92/23/76/539922376.db2.gz NQWHIBNXBDQROC-UHFFFAOYSA-N 0 0 370.427 2.175 50 5 FEBARN O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1COc2ccccc2O1 ZINC000032994645 539963102 /nfs/dbraw/zinc/96/31/02/539963102.db2.gz BMAACQYDMDHLPP-MRXNPFEDSA-N 0 0 358.306 2.145 50 5 FEBARN Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c[n+]1[O-] ZINC000002023757 219424288 /nfs/dbraw/zinc/42/42/88/219424288.db2.gz SHRFGKVLXMHORO-UHFFFAOYSA-N 0 0 366.333 2.229 50 5 FEBARN COc1ccc(C(=O)NCc2ccnc(-n3cccn3)c2)cc1[N+](=O)[O-] ZINC000040081236 540005490 /nfs/dbraw/zinc/00/54/90/540005490.db2.gz SDBUBUUKLUKAPG-UHFFFAOYSA-N 0 0 353.338 2.114 50 5 FEBARN CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2C1=O ZINC000004078853 219540176 /nfs/dbraw/zinc/54/01/76/219540176.db2.gz ZRSFGMUTMBIUEV-RUDMXATFSA-N 0 0 351.318 2.473 50 5 FEBARN CS(=O)(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000007837751 219830377 /nfs/dbraw/zinc/83/03/77/219830377.db2.gz CVIDWBXBLQLIFC-UHFFFAOYSA-N 0 0 350.352 2.016 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1n[nH]c2ccccc21 ZINC000008686250 219865618 /nfs/dbraw/zinc/86/56/18/219865618.db2.gz WKYZMNOJOJAKAE-UHFFFAOYSA-N 0 0 370.321 2.275 50 5 aggregator FEBARN COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC000009314192 219877131 /nfs/dbraw/zinc/87/71/31/219877131.db2.gz MBTJLCQJCJRVJO-UHFFFAOYSA-N 0 0 365.729 2.447 50 5 FEBARN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2o1 ZINC000013000874 220051959 /nfs/dbraw/zinc/05/19/59/220051959.db2.gz JGCKHKMZDGOCDV-UHFFFAOYSA-N 0 0 353.287 2.382 50 5 FEBARN CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NCc1ccccc1 ZINC000016282460 220181181 /nfs/dbraw/zinc/18/11/81/220181181.db2.gz KSTUTKPDXSYEPU-GFCCVEGCSA-N 0 0 357.366 2.498 50 5 FEBARN COc1ccc([C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)C)cc1 ZINC000076092593 542231954 /nfs/dbraw/zinc/23/19/54/542231954.db2.gz ICQCZHRAPIHURM-SFHVURJKSA-N 0 0 359.382 2.279 50 5 FEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000019832110 220301031 /nfs/dbraw/zinc/30/10/31/220301031.db2.gz HFESDASMSOTTDJ-UHFFFAOYSA-N 0 0 370.365 2.461 50 5 FEBARN Cc1ccc(C)n1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000021670300 220361815 /nfs/dbraw/zinc/36/18/15/220361815.db2.gz NPWVWQCNLIHDET-UHFFFAOYSA-N 0 0 356.426 2.471 50 5 FEBARN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000032469459 220661739 /nfs/dbraw/zinc/66/17/39/220661739.db2.gz JRYNGFONEUXUOT-SNVBAGLBSA-N 0 0 360.819 2.438 50 5 FEBARN Cc1cc([N+](=O)[O-])sc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000048309194 221006352 /nfs/dbraw/zinc/00/63/52/221006352.db2.gz ZXCNNSSYEWBIES-AWEZNQCLSA-N 0 0 366.487 2.488 50 5 FEBARN Cc1nn(CN2CCC(C(=O)Nc3cccc(C)n3)CC2)c(C)c1[N+](=O)[O-] ZINC000058162437 221100836 /nfs/dbraw/zinc/10/08/36/221100836.db2.gz IXLZYQDDSSSZQB-UHFFFAOYSA-N 0 0 372.429 2.420 50 5 FEBARN Cc1sc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000058023903 221097645 /nfs/dbraw/zinc/09/76/45/221097645.db2.gz LLIVIXRWOHVDPB-ZDUSSCGKSA-N 0 0 359.407 2.496 50 5 FEBARN COc1cccc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000002872863 132384335 /nfs/dbraw/zinc/38/43/35/132384335.db2.gz GLLZIUFVYCRVNY-UHFFFAOYSA-N 0 0 355.394 2.495 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOc2ccccc21 ZINC000030581666 132921740 /nfs/dbraw/zinc/92/17/40/132921740.db2.gz UHDNZKJSBLWFAZ-UHFFFAOYSA-N 0 0 350.352 2.191 50 5 FEBARN C[C@@H]1Oc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2N(C)C1=O ZINC000041014374 136120697 /nfs/dbraw/zinc/12/06/97/136120697.db2.gz JBCPZTDWONFUKG-NSHDSACASA-N 0 0 371.349 2.356 50 5 FEBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)[C@@H]1CC1[N+](=O)[O-] ZINC000047241803 136122690 /nfs/dbraw/zinc/12/26/90/136122690.db2.gz YFWAUEHJNNFANG-ZWNOBZJWSA-N 0 0 359.304 2.146 50 5 FEBARN CCNC(=O)[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057350775 136128657 /nfs/dbraw/zinc/12/86/57/136128657.db2.gz VNVACGAYEZCUDJ-NSHDSACASA-N 0 0 374.363 2.260 50 5 FEBARN COCN1N=CC(I)=N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000096580903 542999479 /nfs/dbraw/zinc/99/94/79/542999479.db2.gz KGMCJPUTQKUCQO-LLVKDONJSA-N 0 0 374.138 2.332 50 5 FEBARN CCn1c(=N)c(C(=O)NC2CCCCC2)cc2c1nc1ccccn1c2=O ZINC000100681370 222249133 /nfs/dbraw/zinc/24/91/33/222249133.db2.gz VXQNWSPHPWCCMI-UHFFFAOYSA-N 0 0 365.437 2.211 50 5 FEBARN COc1ccccc1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003614804 263330571 /nfs/dbraw/zinc/33/05/71/263330571.db2.gz IVIAYRYARZRLFZ-UHFFFAOYSA-N 0 0 357.366 2.040 50 5 FEBARN CC(=O)Nc1cccc2c1CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C2 ZINC000059420637 534763741 /nfs/dbraw/zinc/76/37/41/534763741.db2.gz YHZQJKAGROTLEX-UHFFFAOYSA-N 0 0 354.366 2.215 50 5 FEBARN O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1Sc1ccccn1 ZINC000019849910 527362777 /nfs/dbraw/zinc/36/27/77/527362777.db2.gz BILNGAYPGRFDRP-UHFFFAOYSA-N 0 0 360.439 2.255 50 5 FEBARN O=c1cc(CO)oc([C@@H](Nc2ccccn2)c2cccc([N+](=O)[O-])c2)c1O ZINC000020218795 527479626 /nfs/dbraw/zinc/47/96/26/527479626.db2.gz ZLMAQVGDJBXEEW-INIZCTEOSA-N 0 0 369.333 2.342 50 5 FEBARN COC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000228898437 548754344 /nfs/dbraw/zinc/75/43/44/548754344.db2.gz OEUUDXBMYINAQM-UHFFFAOYSA-N 0 0 354.363 2.150 50 5 FEBARN Cc1nn(CCCC(=O)n2cc(Br)cn2)c(C)c1[N+](=O)[O-] ZINC000001429866 539342214 /nfs/dbraw/zinc/34/22/14/539342214.db2.gz PYDNJOOGIKRFSP-UHFFFAOYSA-N 0 0 356.180 2.488 50 5 FEBARN COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccc(C)cc2)C(=O)NC[C@H]1c1ccco1 ZINC000002298783 539346772 /nfs/dbraw/zinc/34/67/72/539346772.db2.gz YWSUKQJIAHDNEA-QMTMVMCOSA-N 0 0 372.377 2.021 50 5 FEBARN Cc1cc(C)n(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(=O)c1 ZINC000002796835 539353704 /nfs/dbraw/zinc/35/37/04/539353704.db2.gz DFIIQGKROSINFB-UHFFFAOYSA-N 0 0 367.365 2.002 50 5 FEBARN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)NCc2ccco2)n1 ZINC000002795448 539354124 /nfs/dbraw/zinc/35/41/24/539354124.db2.gz JTCGXLWNFIFMQY-UHFFFAOYSA-N 0 0 369.337 2.104 50 5 FEBARN CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000004141160 539377204 /nfs/dbraw/zinc/37/72/04/539377204.db2.gz URZIMGXQAUOWGM-OAHLLOKOSA-N 0 0 363.370 2.191 50 5 FEBARN O=C1C[C@@H](N2CCc3ccccc32)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1 ZINC000004740122 539391361 /nfs/dbraw/zinc/39/13/61/539391361.db2.gz GAIOFRAZATTZFY-MRXNPFEDSA-N 0 0 355.325 2.429 50 5 FEBARN O=C(COC(=O)Cc1cn2ccsc2n1)Nc1ccccc1[N+](=O)[O-] ZINC000004864710 539394712 /nfs/dbraw/zinc/39/47/12/539394712.db2.gz BTDCZMDJWAYBRS-UHFFFAOYSA-N 0 0 360.351 2.028 50 5 FEBARN COC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000005091060 539402358 /nfs/dbraw/zinc/40/23/58/539402358.db2.gz XCJDXWQNTMYUDS-TVQRCGJNSA-N 0 0 361.379 2.416 50 5 FEBARN Cc1nc2ccccc2c(=O)n1NC(=O)C=Cc1ccc([N+](=O)[O-])cc1 ZINC000005199084 539405336 /nfs/dbraw/zinc/40/53/36/539405336.db2.gz SNTNAMIFRJKQSW-DHZHZOJOSA-N 0 0 350.334 2.397 50 5 FEBARN Cc1noc(/C=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000006759757 539435872 /nfs/dbraw/zinc/43/58/72/539435872.db2.gz MXCAYFQZRMZHTC-QPJJXVBHSA-N 0 0 373.365 2.299 50 5 FEBARN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] ZINC000008937325 539494677 /nfs/dbraw/zinc/49/46/77/539494677.db2.gz UIDFDXFXGLSUAW-UHFFFAOYSA-N 0 0 364.379 2.153 50 5 FEBARN O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncccc1O ZINC000009221095 539499304 /nfs/dbraw/zinc/49/93/04/539499304.db2.gz OFDHWBYLLASEEV-UHFFFAOYSA-N 0 0 358.310 2.022 50 5 FEBARN Cc1cc(NC(=O)[C@H](C)N2CCN(c3ccccc3[N+](=O)[O-])CC2)on1 ZINC000014227533 539599656 /nfs/dbraw/zinc/59/96/56/539599656.db2.gz LPJGJFUAJNXJHZ-ZDUSSCGKSA-N 0 0 359.386 2.040 50 5 FEBARN NC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000014896042 539606857 /nfs/dbraw/zinc/60/68/57/539606857.db2.gz SRCVEAMSDQQPFT-UHFFFAOYSA-N 0 0 369.381 2.048 50 5 FEBARN COc1ccc(NC(=O)NCCc2nnc3ccccn32)c([N+](=O)[O-])c1 ZINC000023401308 539714124 /nfs/dbraw/zinc/71/41/24/539714124.db2.gz MAXLJBODJOKJOT-UHFFFAOYSA-N 0 0 356.342 2.010 50 5 FEBARN O=C(CN1CCN(C(=O)c2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000024667404 539736881 /nfs/dbraw/zinc/73/68/81/539736881.db2.gz SSRNHTFRMCXFKQ-UHFFFAOYSA-N 0 0 374.422 2.053 50 5 FEBARN CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(F)c1 ZINC000000864615 219333429 /nfs/dbraw/zinc/33/34/29/219333429.db2.gz MRUBVANFGDXUKP-UHFFFAOYSA-N 0 0 357.297 2.341 50 5 FEBARN O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000027584346 539811499 /nfs/dbraw/zinc/81/14/99/539811499.db2.gz YSNVYUQPRPZPJQ-OAHLLOKOSA-N 0 0 361.423 2.460 50 5 FEBARN COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000029411459 539852986 /nfs/dbraw/zinc/85/29/86/539852986.db2.gz IEIYBNLJOYSSGO-UHFFFAOYSA-N 0 0 365.386 2.439 50 5 FEBARN COC(=O)c1ccc2oc(=O)n(Cc3cc([N+](=O)[O-])ccc3OC)c2c1 ZINC000030947936 539895285 /nfs/dbraw/zinc/89/52/85/539895285.db2.gz WVGPSJBYPXZMII-UHFFFAOYSA-N 0 0 358.306 2.346 50 5 FEBARN COC(=O)c1cn(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)nn1 ZINC000032028484 539925891 /nfs/dbraw/zinc/92/58/91/539925891.db2.gz RIXQHINNYRNIQU-UHFFFAOYSA-N 0 0 367.321 2.214 50 5 FEBARN Cc1nn(CC(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000032912930 539958374 /nfs/dbraw/zinc/95/83/74/539958374.db2.gz WFRPOJSCBILMHD-UHFFFAOYSA-N 0 0 356.342 2.143 50 5 FEBARN CSc1nnc(C)c(=O)n1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004495800 219579351 /nfs/dbraw/zinc/57/93/51/219579351.db2.gz UBGYEFKVVLWQAX-UHFFFAOYSA-N 0 0 370.774 2.045 50 5 FEBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 ZINC000005216250 219661821 /nfs/dbraw/zinc/66/18/21/219661821.db2.gz FIJFCXZDDPYTOP-LBPRGKRZSA-N 0 0 362.313 2.069 50 5 FEBARN COC[C@H](C)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000006785499 219770207 /nfs/dbraw/zinc/77/02/07/219770207.db2.gz RLZNDJNCJWTNFK-ZDUSSCGKSA-N 0 0 371.459 2.462 50 5 FEBARN CC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000009088078 219874897 /nfs/dbraw/zinc/87/48/97/219874897.db2.gz OGRXNCZLLWPENA-UHFFFAOYSA-N 0 0 371.375 2.275 50 5 FEBARN O=C(NC[C@@H]1COc2ccccc2O1)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000065669726 541252116 /nfs/dbraw/zinc/25/21/16/541252116.db2.gz PSURYLLLPOHFFP-SECBINFHSA-N 0 0 350.277 2.443 50 5 FEBARN C[C@@H](Sc1nc(N)cc(N)n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012538230 220005382 /nfs/dbraw/zinc/00/53/82/220005382.db2.gz KODXQZZCIQOFFC-SSDOTTSWSA-N 0 0 359.371 2.453 50 5 FEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000014246422 220120353 /nfs/dbraw/zinc/12/03/53/220120353.db2.gz SPSBZYLPRMXDTO-MRVPVSSYSA-N 0 0 364.387 2.044 50 5 FEBARN O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000014851652 220133986 /nfs/dbraw/zinc/13/39/86/220133986.db2.gz IEKPLHGYSIXYLF-QGZVFWFLSA-N 0 0 370.361 2.352 50 5 FEBARN Cn1nnnc1SCC(=O)Nc1c2ccccc2nc2ccccc21 ZINC000019849795 220302027 /nfs/dbraw/zinc/30/20/27/220302027.db2.gz QCCARZWQFPLAEH-UHFFFAOYSA-N 0 0 350.407 2.064 50 5 FEBARN CS(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022530381 220389879 /nfs/dbraw/zinc/38/98/79/220389879.db2.gz CPZOHVDZZPXXRL-UHFFFAOYSA-N 0 0 367.349 2.085 50 5 FEBARN Cc1cc(-n2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)no1 ZINC000022714845 220395804 /nfs/dbraw/zinc/39/58/04/220395804.db2.gz KFYFHONBKZZISX-UHFFFAOYSA-N 0 0 356.338 2.343 50 5 FEBARN CCOC(=O)c1ccsc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000024835589 220463936 /nfs/dbraw/zinc/46/39/36/220463936.db2.gz CPKSEJYZLZBQGX-UHFFFAOYSA-N 0 0 352.372 2.285 50 5 FEBARN Cc1ccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1[N+](=O)[O-] ZINC000040111024 220882686 /nfs/dbraw/zinc/88/26/86/220882686.db2.gz FKDGYXJZNBNPSW-GOSISDBHSA-N 0 0 368.349 2.210 50 5 FEBARN O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc3cccnc3n2C2CC2)c1 ZINC000047147103 220987866 /nfs/dbraw/zinc/98/78/66/220987866.db2.gz BPBCLDLNILTOBI-UHFFFAOYSA-N 0 0 373.394 2.153 50 5 FEBARN O=C(NCCCNC(=O)c1cccc(O)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000058180002 221103501 /nfs/dbraw/zinc/10/35/01/221103501.db2.gz KZGKTNDPCCVXAZ-UHFFFAOYSA-N 0 0 358.354 2.242 50 5 FEBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC(=O)OCC1CC1 ZINC000058308820 221113164 /nfs/dbraw/zinc/11/31/64/221113164.db2.gz YXYAYSYXQXONFD-UHFFFAOYSA-N 0 0 364.401 2.224 50 5 FEBARN COc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 ZINC000008140332 132259539 /nfs/dbraw/zinc/25/95/39/132259539.db2.gz RJLVPYOEFURMEL-UHFFFAOYSA-N 0 0 371.393 2.370 50 5 FEBARN O=c1nc2c3cc(Br)ccc3nnn2nc1-c1ccccc1 ZINC000089847927 542771554 /nfs/dbraw/zinc/77/15/54/542771554.db2.gz OXHIVUIRQSYGKV-UHFFFAOYSA-N 0 0 354.167 2.462 50 5 FEBARN O=C1CSC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000334163472 136151598 /nfs/dbraw/zinc/15/15/98/136151598.db2.gz UFDRFFBDWHCZCF-UHFFFAOYSA-N 0 0 370.818 2.023 50 5 FEBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCCCN3C[C@@H]2C)c1C ZINC000095398180 542969058 /nfs/dbraw/zinc/96/90/58/542969058.db2.gz GABPDSDHKCOFNM-DZGCQCFKSA-N 0 0 367.471 2.459 50 5 FEBARN CC(C)[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])c1nnc2ccccn21 ZINC000095466609 542972050 /nfs/dbraw/zinc/97/20/50/542972050.db2.gz GDJRASJPHGNNGG-INIZCTEOSA-N 0 0 368.397 2.223 50 5 FEBARN O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)C2=C(O)N1c1ccc(F)cc1 ZINC000103559516 222338596 /nfs/dbraw/zinc/33/85/96/222338596.db2.gz HGPWSYYQHHICAG-ZFWWWQNUSA-N 0 0 355.281 2.026 50 5 FEBARN O=C(CCc1nc(C2CC2)no1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000170605649 546165082 /nfs/dbraw/zinc/16/50/82/546165082.db2.gz PUGGHIJSDWLKRY-UHFFFAOYSA-N 0 0 358.354 2.078 50 5 FEBARN O=C(NCCN1CCCOC1=O)c1cnc2c3ccccc3ccc2c1O ZINC000221221635 548704277 /nfs/dbraw/zinc/70/42/77/548704277.db2.gz NJZQHTCLUUHYPJ-UHFFFAOYSA-N 0 0 365.389 2.253 50 5 FEBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000047973576 570933030 /nfs/dbraw/zinc/93/30/30/570933030.db2.gz NBLGLICLZZDYQZ-RUDMXATFSA-N 0 0 366.377 2.183 50 5 FEBARN CC(C)NC(=O)NC(=O)COC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000097655051 670764794 /nfs/dbraw/zinc/76/47/94/670764794.db2.gz HYPBBBZBPMYXCE-XQRVVYSFSA-N 0 0 369.761 2.039 50 5 FEBARN COc1cc(C(=O)OCC(=O)N2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000003323929 539363985 /nfs/dbraw/zinc/36/39/85/539363985.db2.gz GGFDGKBDRQNBTN-UHFFFAOYSA-N 0 0 366.370 2.027 50 5 FEBARN C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003885714 539373213 /nfs/dbraw/zinc/37/32/13/539373213.db2.gz XSMOERJRFABHMJ-BLLLJJGKSA-N 0 0 350.396 2.337 50 5 FEBARN O=C(CSc1[nH]c(=O)nc2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 ZINC000004317078 539381412 /nfs/dbraw/zinc/38/14/12/539381412.db2.gz VENPWUIXKWRJJL-UHFFFAOYSA-N 0 0 360.395 2.288 50 5 FEBARN Cc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(=O)n2c1 ZINC000004503622 539386374 /nfs/dbraw/zinc/38/63/74/539386374.db2.gz MCMCVRLDRVQRAU-UHFFFAOYSA-N 0 0 371.378 2.037 50 5 FEBARN NS(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000004802092 539392895 /nfs/dbraw/zinc/39/28/95/539392895.db2.gz AYICMMRAXDUGGO-UHFFFAOYSA-N 0 0 355.759 2.148 50 5 FEBARN Cc1ccc(O)c(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 ZINC000004824158 539392919 /nfs/dbraw/zinc/39/29/19/539392919.db2.gz JLFMCDZORMKMJZ-UHFFFAOYSA-N 0 0 369.333 2.234 50 5 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FEBARN Cc1ccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC000004504718 539386340 /nfs/dbraw/zinc/38/63/40/539386340.db2.gz FEAFGZHPUJZBIP-AWEZNQCLSA-N 0 0 354.428 2.189 50 5 FEBARN CCN1C(=O)C(=C(C)Nc2ccc([N+](=O)[O-])cc2)C(=O)N(CC)C1=S ZINC000006585538 539430313 /nfs/dbraw/zinc/43/03/13/539430313.db2.gz UFDBSRJXLKPSSB-UHFFFAOYSA-N 0 0 362.411 2.276 50 5 FEBARN CCc1nn2c(nc(COc3ccc(OC)cc3[N+](=O)[O-])cc2=O)s1 ZINC000006652918 539432289 /nfs/dbraw/zinc/43/22/89/539432289.db2.gz GLVXHSSKQFISLO-UHFFFAOYSA-N 0 0 362.367 2.209 50 5 FEBARN COC[C@@H](C)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000006785501 539437151 /nfs/dbraw/zinc/43/71/51/539437151.db2.gz RLZNDJNCJWTNFK-CYBMUJFWSA-N 0 0 371.459 2.462 50 5 FEBARN O=C([C@@H]1CCCO1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000006831736 539438775 /nfs/dbraw/zinc/43/87/75/539438775.db2.gz UNOMCBSRFPPDLU-AWEZNQCLSA-N 0 0 373.331 2.441 50 5 FEBARN CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@@H]1CC ZINC000007758003 539465779 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COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000024480387 539732545 /nfs/dbraw/zinc/73/25/45/539732545.db2.gz GCFVPEYBEXLNLH-OBJOEFQTSA-N 0 0 368.411 2.090 50 5 FEBARN NC(=O)c1cc([N+](=O)[O-])cn(Cc2cc(Cl)ccc2OC(F)F)c1=O ZINC000024830448 539742074 /nfs/dbraw/zinc/74/20/74/539742074.db2.gz NHYWCFDZTKYTEK-UHFFFAOYSA-N 0 0 373.699 2.159 50 5 FEBARN Cc1nn(C[C@H](O)COc2cccc([N+](=O)[O-])c2)c(=O)c2ccccc12 ZINC000024989861 539746027 /nfs/dbraw/zinc/74/60/27/539746027.db2.gz NNRJGUQETRCPTC-AWEZNQCLSA-N 0 0 355.350 2.053 50 5 FEBARN Cc1cccc([N+](=O)[O-])c1C(=O)OCCN1C(=O)c2ccccc2C1=O ZINC000026113086 539777292 /nfs/dbraw/zinc/77/72/92/539777292.db2.gz KZPUJIHKFMPBRS-UHFFFAOYSA-N 0 0 354.318 2.356 50 5 FEBARN COc1cc(CN2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])cc1OC ZINC000000865183 219333280 /nfs/dbraw/zinc/33/32/80/219333280.db2.gz OLVBLYMOPKRKEG-UHFFFAOYSA-N 0 0 372.425 2.325 50 5 FEBARN O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3)nn12 ZINC000026966087 539798803 /nfs/dbraw/zinc/79/88/03/539798803.db2.gz MUVLIZVBFLQJHD-UVTDQMKNSA-N 0 0 350.359 2.274 50 5 FEBARN O=C(OCCS(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000001046949 219357658 /nfs/dbraw/zinc/35/76/58/219357658.db2.gz BBYGFSKHWGMTCP-UHFFFAOYSA-N 0 0 370.770 2.274 50 5 FEBARN O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001124932 219375133 /nfs/dbraw/zinc/37/51/33/219375133.db2.gz SUSRBNKSYHBADX-UHFFFAOYSA-N 0 0 364.317 2.484 50 5 FEBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000001137247 219378034 /nfs/dbraw/zinc/37/80/34/219378034.db2.gz MYHSOQRULVUYQM-UHFFFAOYSA-N 0 0 367.358 2.139 50 5 FEBARN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 ZINC000001234083 219391073 /nfs/dbraw/zinc/39/10/73/219391073.db2.gz JXECBLVAWOBOBR-UHFFFAOYSA-N 0 0 358.306 2.420 50 5 FEBARN O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccc(F)cc3)nn12 ZINC000001314523 219394986 /nfs/dbraw/zinc/39/49/86/219394986.db2.gz AQUYXLYUSDUNAE-ZROIWOOFSA-N 0 0 368.349 2.413 50 5 FEBARN Cc1nnc(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)[nH]1 ZINC000040398584 540009531 /nfs/dbraw/zinc/00/95/31/540009531.db2.gz VPTAMNZZXVUMHX-UHFFFAOYSA-N 0 0 370.372 2.116 50 5 FEBARN O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCC1=CCCCC1 ZINC000003433518 219509806 /nfs/dbraw/zinc/50/98/06/219509806.db2.gz WRRQDRBCMKTISD-UHFFFAOYSA-N 0 0 356.382 2.311 50 5 FEBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COc2ccccc2O1 ZINC000004716041 219599342 /nfs/dbraw/zinc/59/93/42/219599342.db2.gz MJQCEYJGVRZRMS-CYBMUJFWSA-N 0 0 364.379 2.022 50 5 FEBARN C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1cc([N+](=O)[O-])cn1 ZINC000004686739 219595675 /nfs/dbraw/zinc/59/56/75/219595675.db2.gz RCQQPRORVSFHFR-QMMMGPOBSA-N 0 0 363.399 2.030 50 5 FEBARN CCn1c(=O)[nH]c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc2c1=O ZINC000047206991 540296263 /nfs/dbraw/zinc/29/62/63/540296263.db2.gz IUXSYPVJOQHAOJ-UHFFFAOYSA-N 0 0 368.349 2.179 50 5 FEBARN COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000005223312 219663098 /nfs/dbraw/zinc/66/30/98/219663098.db2.gz FPZBVQIARMLQMH-UHFFFAOYSA-N 0 0 350.352 2.259 50 5 FEBARN O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1 ZINC000007718550 219819105 /nfs/dbraw/zinc/81/91/05/219819105.db2.gz WWKPIQCLFKGSEY-HOTGVXAUSA-N 0 0 373.390 2.207 50 5 FEBARN O=C(c1ccno1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000010254107 219897872 /nfs/dbraw/zinc/89/78/72/219897872.db2.gz WSLFAEBKOXJNGR-UHFFFAOYSA-N 0 0 359.367 2.155 50 5 FEBARN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000012891323 220039338 /nfs/dbraw/zinc/03/93/38/220039338.db2.gz DGWSMQQLEZTCRO-UHFFFAOYSA-N 0 0 353.334 2.496 50 5 FEBARN C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC(F)(F)F ZINC000012859925 220037337 /nfs/dbraw/zinc/03/73/37/220037337.db2.gz NUGZFEXPEIBWEK-ZCFIWIBFSA-N 0 0 354.668 2.472 50 5 FEBARN COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012986417 220049534 /nfs/dbraw/zinc/04/95/34/220049534.db2.gz VUVIZHAQVLCJLR-UHFFFAOYSA-N 0 0 369.377 2.202 50 5 FEBARN NC(=O)c1ccc(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000014015574 220102738 /nfs/dbraw/zinc/10/27/38/220102738.db2.gz LINOXCSESSQABX-ZZXKWVIFSA-N 0 0 355.306 2.074 50 5 FEBARN CCn1nccc1[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015836573 220167887 /nfs/dbraw/zinc/16/78/87/220167887.db2.gz YTQWMRFORHAHQQ-HNNXBMFYSA-N 0 0 350.400 2.337 50 5 FEBARN Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000089866716 132200249 /nfs/dbraw/zinc/20/02/49/132200249.db2.gz IQYVWOPGFIDLNW-UHFFFAOYSA-N 0 0 350.382 2.447 50 5 FEBARN COc1cc(F)c([N+](=O)[O-])c(N2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC000170088710 132264246 /nfs/dbraw/zinc/26/42/46/132264246.db2.gz UERDAEFCSLXCMO-HNNXBMFYSA-N 0 0 350.350 2.416 50 5 FEBARN COC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000000841290 132378941 /nfs/dbraw/zinc/37/89/41/132378941.db2.gz LSNRHGUSUAJJSV-UHFFFAOYSA-N 0 0 369.377 2.344 50 5 FEBARN CC[C@@](C)(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1OCCO1 ZINC000095406742 542969254 /nfs/dbraw/zinc/96/92/54/542969254.db2.gz UGGMCTUATHIXOS-INIZCTEOSA-N 0 0 372.443 2.443 50 5 FEBARN O=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 ZINC000004681069 263335612 /nfs/dbraw/zinc/33/56/12/263335612.db2.gz PETRBUIQZAGTKM-UHFFFAOYSA-N 0 0 359.294 2.455 50 5 FEBARN O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2(c3ccccn3)CC2)cc1 ZINC000170599205 546163626 /nfs/dbraw/zinc/16/36/26/546163626.db2.gz IZJNDUDRWOZXPV-UHFFFAOYSA-N 0 0 361.423 2.184 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCC(O)CC2)c(Cl)cc1Cl ZINC000225550699 548737297 /nfs/dbraw/zinc/73/72/97/548737297.db2.gz QCVFBDYRHZSQAO-UHFFFAOYSA-N 0 0 355.199 2.047 50 5 FEBARN C[C@H]1C[C@H](C)CN(C(=O)COC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000046856925 570876123 /nfs/dbraw/zinc/87/61/23/570876123.db2.gz VPOCWRYSAPJXOJ-STQMWFEESA-N 0 0 350.371 2.021 50 5 FEBARN O=c1ccn(Cc2ccc(Br)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000170591319 222595310 /nfs/dbraw/zinc/59/53/10/222595310.db2.gz GLBYPGSHCZJTNA-UHFFFAOYSA-N 0 0 354.116 2.476 50 5 FEBARN COC(=O)c1c(C)c(C(N)=O)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002102337 539344809 /nfs/dbraw/zinc/34/48/09/539344809.db2.gz JICBHVFYZVHIQX-UHFFFAOYSA-N 0 0 363.351 2.103 50 5 FEBARN CCOC(=O)c1c2c(sc1NC(=O)Cn1ccc([N+](=O)[O-])n1)CCC2 ZINC000001429935 539341815 /nfs/dbraw/zinc/34/18/15/539341815.db2.gz BPUPHORISKUAQY-UHFFFAOYSA-N 0 0 364.383 2.157 50 5 FEBARN CC(C)CCNC(=O)NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000002663970 539350771 /nfs/dbraw/zinc/35/07/71/539350771.db2.gz RXHUJJZUZBXXSF-VOTSOKGWSA-N 0 0 363.370 2.023 50 5 FEBARN COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000002940671 539356765 /nfs/dbraw/zinc/35/67/65/539356765.db2.gz LLRPBKNUOOSESV-UHFFFAOYSA-N 0 0 364.379 2.406 50 5 FEBARN CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002988971 539357799 /nfs/dbraw/zinc/35/77/99/539357799.db2.gz IYPAORCAGPIWBY-KRWDZBQOSA-N 0 0 370.361 2.068 50 5 FEBARN COCON1C(=O)CN(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000003663073 539373523 /nfs/dbraw/zinc/37/35/23/539373523.db2.gz KZFGNCVAZCRQRU-KRWDZBQOSA-N 0 0 371.349 2.114 50 5 FEBARN COc1ccc(OC)c(Nc2nc(N3CCCC3)nc(N)c2[N+](=O)[O-])c1 ZINC000004306274 539381787 /nfs/dbraw/zinc/38/17/87/539381787.db2.gz TYAVCSUVXLKJDV-UHFFFAOYSA-N 0 0 360.374 2.328 50 5 FEBARN Cc1nn(CCCC(=O)NCCc2nc3ccccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000004625684 539389637 /nfs/dbraw/zinc/38/96/37/539389637.db2.gz OBKFPDRWNIALQD-UHFFFAOYSA-N 0 0 370.413 2.424 50 5 FEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ncc(Cl)c(Cl)c1=O ZINC000004932215 539395600 /nfs/dbraw/zinc/39/56/00/539395600.db2.gz SVQNYTQFGFRJJN-UHFFFAOYSA-N 0 0 373.152 2.106 50 5 FEBARN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005059585 539401580 /nfs/dbraw/zinc/40/15/80/539401580.db2.gz FHKIAWVQIPJBMC-UHFFFAOYSA-N 0 0 363.395 2.162 50 5 FEBARN Cc1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000005278124 539407192 /nfs/dbraw/zinc/40/71/92/539407192.db2.gz VHHLLEZWQMGKKE-INIZCTEOSA-N 0 0 357.366 2.277 50 5 FEBARN C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000005450119 539410774 /nfs/dbraw/zinc/41/07/74/539410774.db2.gz PGQXOELMGBFKNC-GOSISDBHSA-N 0 0 369.333 2.291 50 5 FEBARN COc1cc(S(=O)(=O)n2c(C)ncc2[N+](=O)[O-])c(OC)cc1Cl ZINC000007425125 539458246 /nfs/dbraw/zinc/45/82/46/539458246.db2.gz PYUADEHFSXGFOM-UHFFFAOYSA-N 0 0 361.763 2.007 50 5 FEBARN Cc1c(NC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cccc1[N+](=O)[O-] ZINC000008137006 539478572 /nfs/dbraw/zinc/47/85/72/539478572.db2.gz OTUCFJYWCPPYMG-UHFFFAOYSA-N 0 0 372.312 2.498 50 5 FEBARN Cc1ccc(NC(=O)CSc2ncnc3c2cnn3C)c([N+](=O)[O-])c1 ZINC000008734983 539491021 /nfs/dbraw/zinc/49/10/21/539491021.db2.gz OBYBTHPTFRVCAL-UHFFFAOYSA-N 0 0 358.383 2.311 50 5 FEBARN CCOc1ccc(NC(=O)CSc2nnc(N)s2)c([N+](=O)[O-])c1 ZINC000009443100 539502404 /nfs/dbraw/zinc/50/24/04/539502404.db2.gz CIXIINDCSKWITB-UHFFFAOYSA-N 0 0 355.401 2.158 50 5 FEBARN COc1cc(C(=O)NC[C@@H](c2ccco2)N(C)C)c([N+](=O)[O-])cc1OC ZINC000010328316 539515899 /nfs/dbraw/zinc/51/58/99/539515899.db2.gz JYDBKGUDWWMRIT-ZDUSSCGKSA-N 0 0 363.370 2.238 50 5 FEBARN O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000010515995 539518106 /nfs/dbraw/zinc/51/81/06/539518106.db2.gz DSWKOHDPOFMNNL-UHFFFAOYSA-N 0 0 357.338 2.263 50 5 FEBARN CN(C)C(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000015201458 539613686 /nfs/dbraw/zinc/61/36/86/539613686.db2.gz VLGUOMLCLQTELX-MRXNPFEDSA-N 0 0 355.350 2.091 50 5 FEBARN CN1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2[N+](=O)[O-])CC1 ZINC000020894412 539678235 /nfs/dbraw/zinc/67/82/35/539678235.db2.gz VXAYURIURPCAGY-UHFFFAOYSA-N 0 0 366.381 2.459 50 5 FEBARN Cc1nn(CC(=O)N(C)Cc2cccc([N+](=O)[O-])c2)c(=O)c2ccccc12 ZINC000025255389 539752757 /nfs/dbraw/zinc/75/27/57/539752757.db2.gz GNPFKGCHBQXNDL-UHFFFAOYSA-N 0 0 366.377 2.272 50 5 FEBARN COc1ccccc1N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(C)=O ZINC000000710929 219316385 /nfs/dbraw/zinc/31/63/85/219316385.db2.gz SLXPMTSXHSYQCW-UHFFFAOYSA-N 0 0 369.333 2.210 50 5 FEBARN CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F ZINC000001152873 219382778 /nfs/dbraw/zinc/38/27/78/219382778.db2.gz IRANEZPMXBTLEF-UHFFFAOYSA-N 0 0 367.358 2.139 50 5 FEBARN O=C(CN1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCCC1 ZINC000028068608 539825440 /nfs/dbraw/zinc/82/54/40/539825440.db2.gz UTBDOLBBLMTNLI-UHFFFAOYSA-N 0 0 366.849 2.383 50 5 FEBARN CC(C)N(C)C(=O)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000029582388 539857413 /nfs/dbraw/zinc/85/74/13/539857413.db2.gz JSFHRKOAJKUUPF-UHFFFAOYSA-N 0 0 359.430 2.481 50 5 FEBARN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000033118262 539968812 /nfs/dbraw/zinc/96/88/12/539968812.db2.gz ICSUVIJVASIBLB-NSHDSACASA-N 0 0 355.350 2.346 50 5 FEBARN O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)nn12 ZINC000033658496 539975262 /nfs/dbraw/zinc/97/52/62/539975262.db2.gz YVIPBNFFWMXOQC-GXDHUFHOSA-N 0 0 350.359 2.274 50 5 FEBARN O=C(c1cccc2c1OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000040150774 540008154 /nfs/dbraw/zinc/00/81/54/540008154.db2.gz MQKCPCMKSUVQGC-UHFFFAOYSA-N 0 0 355.350 2.286 50 5 FEBARN O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc(Br)cc1 ZINC000003896290 219528442 /nfs/dbraw/zinc/52/84/42/219528442.db2.gz ALRGOFUBHJHPCU-UHFFFAOYSA-N 0 0 354.164 2.368 50 5 FEBARN CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000004913674 219623776 /nfs/dbraw/zinc/62/37/76/219623776.db2.gz KDGMPIROECTBJA-CQSZACIVSA-N 0 0 362.382 2.441 50 5 FEBARN CC(C)(C)OC(=O)N1CCN(CCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000047538043 540316936 /nfs/dbraw/zinc/31/69/36/540316936.db2.gz NHIWHQXVYCXLAF-UHFFFAOYSA-N 0 0 365.434 2.345 50 5 FEBARN COc1ccc(-c2cc(N)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000005034722 219642579 /nfs/dbraw/zinc/64/25/79/219642579.db2.gz JWQHEGLYGAADRI-UHFFFAOYSA-N 0 0 374.378 2.286 50 5 FEBARN CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072313975 541799067 /nfs/dbraw/zinc/79/90/67/541799067.db2.gz WDJZWJXYFMXPPR-ZDUSSCGKSA-N 0 0 356.400 2.090 50 5 FEBARN COC(=O)c1cc(C(=O)NCCN(C)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000012611728 220013557 /nfs/dbraw/zinc/01/35/57/220013557.db2.gz FOBQQSOCJXNMLF-UHFFFAOYSA-N 0 0 357.366 2.248 50 5 FEBARN O=C(COC(=O)Cn1cnc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000012650945 220015736 /nfs/dbraw/zinc/01/57/36/220015736.db2.gz UKBZUMWMAOYDBW-UHFFFAOYSA-N 0 0 354.322 2.126 50 5 FEBARN O=c1[nH]cc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000013637502 220080677 /nfs/dbraw/zinc/08/06/77/220080677.db2.gz CLIMBQWVAICHRE-UHFFFAOYSA-N 0 0 363.273 2.103 50 5 FEBARN CCn1nccc1[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015836555 220168225 /nfs/dbraw/zinc/16/82/25/220168225.db2.gz IOQYPLRNHNZWJP-HNNXBMFYSA-N 0 0 350.400 2.337 50 5 FEBARN O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019863502 220303698 /nfs/dbraw/zinc/30/36/98/220303698.db2.gz SSVXMQZHNWEVNK-UHFFFAOYSA-N 0 0 369.377 2.282 50 5 FEBARN C[C@@H]1CN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCO1 ZINC000022373741 220384167 /nfs/dbraw/zinc/38/41/67/220384167.db2.gz GDDVQEWVKQZPMT-LLVKDONJSA-N 0 0 362.411 2.378 50 5 FEBARN COc1ccc(O)c(C(=O)OCC(=O)Nc2c(C)cccc2[N+](=O)[O-])c1 ZINC000025033301 220474076 /nfs/dbraw/zinc/47/40/76/220474076.db2.gz PBVVCUUVSLOTNC-UHFFFAOYSA-N 0 0 360.322 2.413 50 5 FEBARN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc([N+](=O)[O-])c1 ZINC000025375755 220482798 /nfs/dbraw/zinc/48/27/98/220482798.db2.gz PQUCKULSYMBFRS-UHFFFAOYSA-N 0 0 360.370 2.178 50 5 FEBARN CS(=O)(=O)c1cccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1 ZINC000040153747 220891163 /nfs/dbraw/zinc/89/11/63/220891163.db2.gz XGJCMNDEPLAHOG-UHFFFAOYSA-N 0 0 350.356 2.155 50 5 FEBARN O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC1(O)CCC1 ZINC000078601557 542470428 /nfs/dbraw/zinc/47/04/28/542470428.db2.gz BPFLGYWNZPJXFB-UHFFFAOYSA-N 0 0 354.306 2.215 50 5 FEBARN O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N(Cc1ccccn1)C1CC1 ZINC000052953677 221042157 /nfs/dbraw/zinc/04/21/57/221042157.db2.gz OASPXXXIKCCWEN-UHFFFAOYSA-N 0 0 364.365 2.375 50 5 FEBARN CNC(=O)[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000058180305 221103328 /nfs/dbraw/zinc/10/33/28/221103328.db2.gz OMXIGJZYTRMSRX-GOSISDBHSA-N 0 0 370.409 2.309 50 5 FEBARN O=C(NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1)c1cccc2cccnc21 ZINC000058182044 221103817 /nfs/dbraw/zinc/10/38/17/221103817.db2.gz KWTJFXDNTLKPGW-OAHLLOKOSA-N 0 0 367.361 2.313 50 5 FEBARN C[C@H](Cc1ccc(O)cc1)N(C)c1nc2ccccn2c(=O)c1[N+](=O)[O-] ZINC000079099094 542500080 /nfs/dbraw/zinc/50/00/80/542500080.db2.gz ROBYMWCAQMFLPM-GFCCVEGCSA-N 0 0 354.366 2.376 50 5 FEBARN CCO[C@@H]1CCCN(S(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C1 ZINC000078967698 542491256 /nfs/dbraw/zinc/49/12/56/542491256.db2.gz CHNKDKPTNYIEAR-GFCCVEGCSA-N 0 0 353.400 2.266 50 5 FEBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000005672934 132258436 /nfs/dbraw/zinc/25/84/36/132258436.db2.gz YHURSMCKRAMYSD-UHFFFAOYSA-N 0 0 369.377 2.100 50 5 FEBARN Cc1ccnc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000008708179 132260047 /nfs/dbraw/zinc/26/00/47/132260047.db2.gz BNKMSQDNGYXDRT-UHFFFAOYSA-N 0 0 355.398 2.302 50 5 FEBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000000753303 132378262 /nfs/dbraw/zinc/37/82/62/132378262.db2.gz SHLPPDVEEWDILD-UHFFFAOYSA-N 0 0 365.386 2.245 50 5 FEBARN Cc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000100524607 222246681 /nfs/dbraw/zinc/24/66/81/222246681.db2.gz ZUPHTRUFFZTEAJ-KBPBESRZSA-N 0 0 359.382 2.407 50 5 FEBARN O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000103559512 222339001 /nfs/dbraw/zinc/33/90/01/222339001.db2.gz HGPWSYYQHHICAG-DZGCQCFKSA-N 0 0 355.281 2.026 50 5 FEBARN CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000020602024 521431002 /nfs/dbraw/zinc/43/10/02/521431002.db2.gz WJYLZWAQFCTJKB-UHFFFAOYSA-N 0 0 352.416 2.330 50 5 FEBARN CNC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2O1 ZINC000029767183 536397996 /nfs/dbraw/zinc/39/79/96/536397996.db2.gz GWLMEGKIAVPDDL-MRXNPFEDSA-N 0 0 355.350 2.057 50 5 FEBARN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCN(c2ncccn2)CC1 ZINC000170607791 546164777 /nfs/dbraw/zinc/16/47/77/546164777.db2.gz UCAMZUZROBPXTD-UHFFFAOYSA-N 0 0 369.425 2.350 50 5 FEBARN Cc1cc(NCC(=O)Nc2ccn(C)n2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000253430308 549688462 /nfs/dbraw/zinc/68/84/62/549688462.db2.gz QHAUHRAPQHCGOW-UHFFFAOYSA-N 0 0 367.369 2.144 50 5 FEBARN CC[C@H]1OCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000277742606 550708841 /nfs/dbraw/zinc/70/88/41/550708841.db2.gz ISDFBBBQGQZCMI-UKRRQHHQSA-N 0 0 366.414 2.476 50 5 FEBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000047973574 570933096 /nfs/dbraw/zinc/93/30/96/570933096.db2.gz NBLGLICLZZDYQZ-WTKPLQERSA-N 0 0 366.377 2.183 50 5 FEBARN