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O=C(CO)CC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000100722013 349659266 /nfs/dbraw/zinc/65/92/66/349659266.db2.gz BUVKYBPIKXMKRN-UHFFFAOYSA-N 0 0 294.263 0.834 50 5 CCBARN CNC(=O)Cc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000096469540 529875626 /nfs/dbraw/zinc/87/56/26/529875626.db2.gz YTVCVQJQGFPEJT-UHFFFAOYSA-N 0 0 276.252 0.857 50 5 CCBARN COc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000000117078 347939110 /nfs/dbraw/zinc/93/91/10/347939110.db2.gz SEBCMXBMRAVLDL-UHFFFAOYSA-N 0 0 279.296 0.991 50 5 CCBARN O=C(CNC(=O)c1[nH]ncc1[N+](=O)[O-])N1CCCCC1 ZINC000000973430 347952573 /nfs/dbraw/zinc/95/25/73/347952573.db2.gz VCXHXHCMRXYGCE-UHFFFAOYSA-N 0 0 281.272 0.060 50 5 CCBARN O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccco1 ZINC000001069679 347953654 /nfs/dbraw/zinc/95/36/54/347953654.db2.gz JLXHFPKLQFKZJG-UHFFFAOYSA-N 0 0 250.214 0.701 50 5 CCBARN COC(=O)CS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000001475648 347956173 /nfs/dbraw/zinc/95/61/73/347956173.db2.gz ZVNMUFBMQNSFQD-UHFFFAOYSA-N 0 0 259.239 0.542 50 5 CCBARN COC(=O)[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000002461933 347968366 /nfs/dbraw/zinc/96/83/66/347968366.db2.gz FLPRTIQKJNVQMG-MRVPVSSYSA-N 0 0 282.252 0.651 50 5 CCBARN CC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000000481058 347947965 /nfs/dbraw/zinc/94/79/65/347947965.db2.gz OTIRYDAMIBRTPK-UHFFFAOYSA-N 0 0 289.247 0.647 50 5 CCBARN Nc1nc(NCCO)nc(NCc2ccco2)c1[N+](=O)[O-] ZINC000004306140 347993205 /nfs/dbraw/zinc/99/32/05/347993205.db2.gz UHVHHWWWUGWPPZ-UHFFFAOYSA-N 0 0 294.271 0.576 50 5 CCBARN Cc1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@H](O)[C@@H](CO)O1 ZINC000013155078 348025656 /nfs/dbraw/zinc/02/56/56/348025656.db2.gz XGKMKROZJTWHQZ-TUAOUCFPSA-N 0 0 268.269 0.783 50 5 biogenic CCBARN COCCNC(=O)CN(C)c1ncccc1[N+](=O)[O-] ZINC000015141950 348038696 /nfs/dbraw/zinc/03/86/96/348038696.db2.gz OUVIUALXRINVRT-UHFFFAOYSA-N 0 0 268.273 0.189 50 5 CCBARN COCCNC(=O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000028004735 348104260 /nfs/dbraw/zinc/10/42/60/348104260.db2.gz OVXDMOLIFSQORU-UHFFFAOYSA-N 0 0 295.251 0.265 50 5 CCBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnnn1 ZINC000057561671 348611260 /nfs/dbraw/zinc/61/12/60/348611260.db2.gz HGDFLGBHTDDYCV-UHFFFAOYSA-N 0 0 262.229 0.528 50 5 CCBARN Cc1cnn(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000065475902 348718774 /nfs/dbraw/zinc/71/87/74/348718774.db2.gz QPCDSDCGJRGDES-NXEZZACHSA-N 0 0 252.274 0.363 50 5 CCBARN CCS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC000065595565 348723405 /nfs/dbraw/zinc/72/34/05/348723405.db2.gz VEKOSXWNNYASJQ-UHFFFAOYSA-N 0 0 274.302 0.341 50 5 CCBARN CCS(=O)(=O)NCCCn1cc([N+](=O)[O-])cn1 ZINC000084811600 349328096 /nfs/dbraw/zinc/32/80/96/349328096.db2.gz JMEKILJTOLAGCD-UHFFFAOYSA-N 0 0 262.291 0.121 50 5 CCBARN O=C(Cn1ncsc1=O)Nc1ccccc1[N+](=O)[O-] ZINC000170606276 350847260 /nfs/dbraw/zinc/84/72/60/350847260.db2.gz MPQWBDHTOLVLBU-UHFFFAOYSA-N 0 0 280.265 0.852 50 5 CCBARN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O ZINC000245380174 352318054 /nfs/dbraw/zinc/31/80/54/352318054.db2.gz SMOCAIOGNVIDED-AJSQTZRNSA-N 0 0 298.295 0.143 50 5 CCBARN CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CO ZINC000293987818 198858903 /nfs/dbraw/zinc/85/89/03/198858903.db2.gz NLYOUNBFDFPUOD-QMMMGPOBSA-N 0 0 256.262 0.021 50 5 CCBARN Cc1ccc([N+](=O)[O-])cc1N[C@@H]1C[C@@H](O)[C@H](CO)O1 ZINC000000236582 169582500 /nfs/dbraw/zinc/58/25/00/169582500.db2.gz XGKMKROZJTWHQZ-WOPDTQHZSA-N 0 0 268.269 0.783 50 5 biogenic CCBARN C[C@@H]1CCCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C1 ZINC000005249701 388762549 /nfs/dbraw/zinc/76/25/49/388762549.db2.gz PSJPVKXVYZZAET-MRVPVSSYSA-N 0 0 296.331 0.608 50 5 CCBARN CCNC(=O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000010327526 388768457 /nfs/dbraw/zinc/76/84/57/388768457.db2.gz GEEYTPLGYQEPNF-UHFFFAOYSA-N 0 0 251.242 0.978 50 5 CCBARN C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048222225 388887813 /nfs/dbraw/zinc/88/78/13/388887813.db2.gz OMJIRKJZSWTAAR-IUCAKERBSA-N 0 0 267.289 0.881 50 5 CCBARN COc1nc(/C=C/N(C)C)c([N+](=O)[O-])c(OC)n1 ZINC000097831222 286546470 /nfs/dbraw/zinc/54/64/70/286546470.db2.gz PIBBRKLIDJCOTC-AATRIKPKSA-N 0 0 254.246 0.934 50 5 CCBARN Cn1cc(-c2nnc(CCn3cc([N+](=O)[O-])cn3)o2)cn1 ZINC000002798374 169832472 /nfs/dbraw/zinc/83/24/72/169832472.db2.gz HHLMCQMZDNCEMS-UHFFFAOYSA-N 0 0 289.255 0.818 50 5 CCBARN O=C(N[C@H]1C=CS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000005445991 170099953 /nfs/dbraw/zinc/09/99/53/170099953.db2.gz QMJRAGRIIVHCRW-VIFPVBQESA-N 0 0 282.277 0.635 50 5 CCBARN CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000008295884 170329638 /nfs/dbraw/zinc/32/96/38/170329638.db2.gz UIFFHJTYZUSCST-UHFFFAOYSA-N 0 0 253.262 0.445 50 5 CCBARN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000009678143 170383728 /nfs/dbraw/zinc/38/37/28/170383728.db2.gz SKNASFIAWGYXMR-UHFFFAOYSA-N 0 0 277.280 0.947 50 5 CCBARN Nc1ncnc(NCCCN2CCOCC2)c1[N+](=O)[O-] ZINC000020388389 171177598 /nfs/dbraw/zinc/17/75/98/171177598.db2.gz VTTIMGYZNNGONA-UHFFFAOYSA-N 0 0 282.304 0.101 50 5 CCBARN O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCNC(=O)C1 ZINC000054644108 175562623 /nfs/dbraw/zinc/56/26/23/175562623.db2.gz MPPDVCFGHGKBEX-UHFFFAOYSA-N 0 0 292.295 0.279 50 5 CCBARN CC(C)C[C@@H](CO)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000069922305 175862730 /nfs/dbraw/zinc/86/27/30/175862730.db2.gz RRMIKWKWHBHQOY-ZETCQYMHSA-N 0 0 255.278 0.786 50 5 CCBARN O=C(NC1CC1)c1ccc(N2CC(O)C2)c([N+](=O)[O-])c1 ZINC000078774356 279820788 /nfs/dbraw/zinc/82/07/88/279820788.db2.gz DTXCOXISJJYSNG-UHFFFAOYSA-N 0 0 277.280 0.668 50 5 CCBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)OS(=O)(=O)C2 ZINC000002117845 280361267 /nfs/dbraw/zinc/36/12/67/280361267.db2.gz JRTVDVXGMLFMMC-UHFFFAOYSA-N 0 0 260.183 0.725 50 5 CCBARN Nc1nc(Cl)nc(N2CCOCC2)c1[N+](=O)[O-] ZINC000004087404 295367568 /nfs/dbraw/zinc/36/75/68/295367568.db2.gz WPMWFKYKNILTPZ-UHFFFAOYSA-N 0 0 259.653 0.457 50 5 CCBARN Cc1ccnc(NCCn2ccc(=O)[nH]c2=O)c1[N+](=O)[O-] ZINC000952880318 841583045 /nfs/dbraw/zinc/58/30/45/841583045.db2.gz AFNQOUHIZKZIFV-UHFFFAOYSA-N 0 0 291.267 0.673 50 5 CCBARN Cn1c(=O)n(C)c2c1c(Br)cnc2[N+](=O)[O-] ZINC000000197967 849573992 /nfs/dbraw/zinc/57/39/92/849573992.db2.gz NWHUBNUGPUFPRB-UHFFFAOYSA-N 0 0 287.073 0.943 50 5 CCBARN Cn1cnnc1Sc1ncnc(N)c1[N+](=O)[O-] ZINC000004059611 230367989 /nfs/dbraw/zinc/36/79/89/230367989.db2.gz IFGZDXISMJQNLH-UHFFFAOYSA-N 0 0 253.247 0.247 50 5 CCBARN C[C@H](CN(C)c1ncc([N+](=O)[O-])cn1)c1nn[nH]n1 ZINC000095244201 349599143 /nfs/dbraw/zinc/59/91/43/349599143.db2.gz DTRSQHGYVQQACF-ZCFIWIBFSA-N 0 0 264.249 0.138 50 5 CCBARN CN(C[C@@H]1CCOC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000096453836 529956563 /nfs/dbraw/zinc/95/65/63/529956563.db2.gz IGRUNVFUHBZKRR-ZETCQYMHSA-N 0 0 253.262 0.440 50 5 CCBARN Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])n1 ZINC000002618889 169815955 /nfs/dbraw/zinc/81/59/55/169815955.db2.gz MBSLWBMYAWOVBV-UHFFFAOYSA-N 0 0 281.268 0.536 50 5 CCBARN Cn1c2cc(Br)c([N+](=O)[O-])nc2n(C)c1=O ZINC000002351710 347966030 /nfs/dbraw/zinc/96/60/30/347966030.db2.gz NBESRZIJLLMQKX-UHFFFAOYSA-N 0 0 287.073 0.943 50 5 CCBARN O=C(CCn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000002771027 347972046 /nfs/dbraw/zinc/97/20/46/347972046.db2.gz ASEDPGASQWKJSF-UHFFFAOYSA-N 0 0 254.246 0.040 50 5 CCBARN Cn1c(CCn2cc([N+](=O)[O-])cn2)n[nH]c1=S ZINC000002789547 347972730 /nfs/dbraw/zinc/97/27/30/347972730.db2.gz BGYSGSAYQSWRES-UHFFFAOYSA-N 0 0 254.275 0.825 50 5 CCBARN CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000000280947 347943413 /nfs/dbraw/zinc/94/34/13/347943413.db2.gz YWXUNEVKOCEMRO-UHFFFAOYSA-N 0 0 278.220 0.754 50 5 CCBARN CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N ZINC000003878390 347986385 /nfs/dbraw/zinc/98/63/85/347986385.db2.gz URXUJJOSLVGRKD-LURJTMIESA-N 0 0 298.255 0.586 50 5 CCBARN Cc1ccc(N[C@H]2C[C@H](O)[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000003999179 347987936 /nfs/dbraw/zinc/98/79/36/347987936.db2.gz MBXAQKREJCGGLD-QJPTWQEYSA-N 0 0 268.269 0.783 50 5 biogenic CCBARN Cc1nnnn1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004524448 347997315 /nfs/dbraw/zinc/99/73/15/347997315.db2.gz KMSXCFBNTIZWDL-UHFFFAOYSA-N 0 0 262.229 0.528 50 5 CCBARN O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)NC1CC1 ZINC000028004119 348104279 /nfs/dbraw/zinc/10/42/79/348104279.db2.gz BMCHALOLAYWCKF-UHFFFAOYSA-N 0 0 277.236 0.781 50 5 CCBARN COc1cc(CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1O ZINC000048573284 348416442 /nfs/dbraw/zinc/41/64/42/348416442.db2.gz FWSPRECRTUCXEN-IUCAKERBSA-N 0 0 266.253 0.682 50 5 CCBARN O=C(NCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCCO1 ZINC000056458958 348591481 /nfs/dbraw/zinc/59/14/81/348591481.db2.gz IVJRZEBSVDJHQT-GFCCVEGCSA-N 0 0 295.295 0.809 50 5 CCBARN O=C(Cn1cnnn1)Nc1cc([N+](=O)[O-])ccc1F ZINC000057564480 348611289 /nfs/dbraw/zinc/61/12/89/348611289.db2.gz BAEMZAGLPPACFO-UHFFFAOYSA-N 0 0 266.192 0.359 50 5 CCBARN Cc1nn(CN2CCCC[C@H]2C(N)=O)c(C)c1[N+](=O)[O-] ZINC000057315244 348607154 /nfs/dbraw/zinc/60/71/54/348607154.db2.gz OTAOQTICTVONSY-JTQLQIEISA-N 0 0 281.316 0.705 50 5 CCBARN O=C(NC[C@H](O)c1ccc(F)c(F)c1)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000057308459 348607428 /nfs/dbraw/zinc/60/74/28/348607428.db2.gz XUWJWTHIBSRQSN-SWPVVBRQSA-N 0 0 286.234 0.780 50 5 CCBARN CN1C(=O)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O ZINC000170600349 350847612 /nfs/dbraw/zinc/84/76/12/350847612.db2.gz HZMCZKSRDMQISK-UHFFFAOYSA-N 0 0 292.251 0.427 50 5 CCBARN COC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2[S@]1=O ZINC000245237198 352317144 /nfs/dbraw/zinc/31/71/44/352317144.db2.gz XVDYULYPXSAYOL-LJQANCHMSA-N 0 0 284.249 0.246 50 5 CCBARN O=C([O-])c1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000016698254 304225802 /nfs/dbraw/zinc/22/58/02/304225802.db2.gz BTBYYNWGQJULDK-UHFFFAOYSA-N 0 0 251.242 0.703 50 5 CCBARN O=[N+]([O-])c1c[nH]nc1N1CCN(c2ncccn2)CC1 ZINC000006829979 285170318 /nfs/dbraw/zinc/17/03/18/285170318.db2.gz JOJSPLNEFIUZMT-UHFFFAOYSA-N 0 0 275.272 0.435 50 5 CCBARN O=[N+]([O-])c1cnn(-c2cnc3c([N+](=O)[O-])cnn3c2)c1 ZINC000002057946 285188787 /nfs/dbraw/zinc/18/87/87/285188787.db2.gz 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293.235 0.346 50 5 CCBARN Cc1ccnn1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000006447342 170201992 /nfs/dbraw/zinc/20/19/92/170201992.db2.gz XNJWHPPLVLMLAR-UHFFFAOYSA-N 0 0 278.272 0.643 50 5 CCBARN Cc1nn(Cc2nc(N)nc(N(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000006668844 170224405 /nfs/dbraw/zinc/22/44/05/170224405.db2.gz DOTSXCGUWTXIFP-UHFFFAOYSA-N 0 0 292.303 0.290 50 5 CCBARN CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000020220104 171082318 /nfs/dbraw/zinc/08/23/18/171082318.db2.gz UGXAXAXNGULUIN-UHFFFAOYSA-N 0 0 263.297 0.911 50 5 CCBARN O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCOCC1 ZINC000032770192 171749055 /nfs/dbraw/zinc/74/90/55/171749055.db2.gz LJLYDJSKAINWJL-UHFFFAOYSA-N 0 0 279.252 0.792 50 5 CCBARN O=C(NCCCOCC1CCOCC1)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000071920663 176300641 /nfs/dbraw/zinc/30/06/41/176300641.db2.gz BJYVUWVRYDWEOP-NEPJUHHUSA-N 0 0 286.328 0.601 50 5 CCBARN CNc1nc(N2C[C@@H](C)O[C@@H](C)C2)nc(N)c1[N+](=O)[O-] ZINC000017247417 277046402 /nfs/dbraw/zinc/04/64/02/277046402.db2.gz 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