smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](Nc1ncccc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000079099175 355296124 /nfs/dbraw/zinc/29/61/24/355296124.db2.gz ZUJUMECSPPDELV-CYBMUJFWSA-N 1 1 320.393 2.435 50 5 DEBAMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000095394189 185352100 /nfs/dbraw/zinc/35/21/00/185352100.db2.gz GJGWCMHISPYOEU-HNNXBMFYSA-N 1 1 315.373 2.461 50 5 DEBAMO C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757796 355277837 /nfs/dbraw/zinc/27/78/37/355277837.db2.gz REFQDNMXDGDGLV-CHWSQXEVSA-N 1 1 320.393 2.249 50 5 DEBAMO O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000095993842 402044305 /nfs/dbraw/zinc/04/43/05/402044305.db2.gz VOGONXKTMMMBGA-LBPRGKRZSA-N 1 1 302.334 2.194 50 5 DEBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000229718443 402344973 /nfs/dbraw/zinc/34/49/73/402344973.db2.gz LERLPENLESAIQV-GXTWGEPZSA-N 1 1 305.378 2.456 50 5 DEBAMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072297696 191113350 /nfs/dbraw/zinc/11/33/50/191113350.db2.gz MFMYLNUMXVQCMT-OAHLLOKOSA-N 1 1 319.405 2.470 50 5 DEBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058264586 184096147 /nfs/dbraw/zinc/09/61/47/184096147.db2.gz LERLPENLESAIQV-OCCSQVGLSA-N 1 1 305.378 2.456 50 5 DEBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000225731704 402322987 /nfs/dbraw/zinc/32/29/87/402322987.db2.gz ADQBPXMNKMBBGJ-CQSZACIVSA-N 1 1 320.393 2.148 50 5 DEBAMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000225731673 402323126 /nfs/dbraw/zinc/32/31/26/402323126.db2.gz ADQBPXMNKMBBGJ-AWEZNQCLSA-N 1 1 320.393 2.148 50 5 DEBAMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000274488891 403060641 /nfs/dbraw/zinc/06/06/41/403060641.db2.gz PPMCMHXABPNCHM-LBPRGKRZSA-N 1 1 310.373 2.172 50 5 DEBAMO C[N@H+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3Cl)C[C@@]2(C)C1 ZINC000863948884 686599617 /nfs/dbraw/zinc/59/96/17/686599617.db2.gz SDBPRYOXTGHKMA-OKILXGFUSA-N 1 1 310.785 2.421 50 5 DEBAMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155719879 186106309 /nfs/dbraw/zinc/10/63/09/186106309.db2.gz ZNGCZULONJUESG-SWLSCSKDSA-N 1 1 305.378 2.362 50 5 DEBAMO COc1cc(C[N@H+](C)CCc2ccccn2)cc([N+](=O)[O-])c1O ZINC000023114683 354057773 /nfs/dbraw/zinc/05/77/73/354057773.db2.gz SQLOLXABCNIHCG-UHFFFAOYSA-N 1 1 317.345 2.379 50 5 DEBAMO COc1cc(C[N@@H+](C)CCc2ccccn2)cc([N+](=O)[O-])c1O ZINC000023114683 354057775 /nfs/dbraw/zinc/05/77/75/354057775.db2.gz SQLOLXABCNIHCG-UHFFFAOYSA-N 1 1 317.345 2.379 50 5 DEBAMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000046955895 354299183 /nfs/dbraw/zinc/29/91/83/354299183.db2.gz RIECFBYSPWOSRW-LBPRGKRZSA-N 1 1 306.366 2.367 50 5 DEBAMO C[NH+]1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000005156857 181211703 /nfs/dbraw/zinc/21/17/03/181211703.db2.gz XXEQACXVWIOTPR-UHFFFAOYSA-N 1 1 304.375 2.470 50 5 DEBAMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047226792 401980438 /nfs/dbraw/zinc/98/04/38/401980438.db2.gz YXAKSGRPDJHZLU-ZJBFNYKTSA-N 1 1 315.373 2.351 50 5 DEBAMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000069584279 402232899 /nfs/dbraw/zinc/23/28/99/402232899.db2.gz PXRIPMIGNGTVBH-UHFFFAOYSA-N 1 1 305.378 2.128 50 5 DEBAMO CC[N@H+]1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346203169 535779772 /nfs/dbraw/zinc/77/97/72/535779772.db2.gz YTHOIIPGBNTNIS-KBPBESRZSA-N 1 1 307.394 2.388 50 5 DEBAMO O=[N+]([O-])c1cccc(OCC[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000046091781 401965742 /nfs/dbraw/zinc/96/57/42/401965742.db2.gz BCSSLNFMHHFSPG-CYBMUJFWSA-N 1 1 306.362 2.475 50 5 DEBAMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000151014562 402010932 /nfs/dbraw/zinc/01/09/32/402010932.db2.gz HNULKLKFUGNZMK-ZDUSSCGKSA-N 1 1 301.350 2.472 50 5 DEBAMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000054991993 402073859 /nfs/dbraw/zinc/07/38/59/402073859.db2.gz QHRRZWDMRXTWFR-OAHLLOKOSA-N 1 1 317.389 2.429 50 5 DEBAMO Cc1cc([N+](=O)[O-])cn(Cc2cn3cc(Cl)ccc3[nH+]2)c1=O ZINC000096476361 402093680 /nfs/dbraw/zinc/09/36/80/402093680.db2.gz ASWZAUDCWGOJDF-UHFFFAOYSA-N 1 1 318.720 2.414 50 5 DEBAMO CC(C)C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069418882 402222284 /nfs/dbraw/zinc/22/22/84/402222284.db2.gz NBXFAQGOGOHVNP-UHFFFAOYSA-N 1 1 305.378 2.285 50 5 DEBAMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000069418882 402222286 /nfs/dbraw/zinc/22/22/86/402222286.db2.gz NBXFAQGOGOHVNP-UHFFFAOYSA-N 1 1 305.378 2.285 50 5 DEBAMO CCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](C)C(=O)OC ZINC000065542319 276317839 /nfs/dbraw/zinc/31/78/39/276317839.db2.gz HEDSTZVXARKJMN-ZDUSSCGKSA-N 1 1 324.377 2.242 50 5 DEBAMO CC[N@H+]1C[C@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346203172 535780569 /nfs/dbraw/zinc/78/05/69/535780569.db2.gz YTHOIIPGBNTNIS-KGLIPLIRSA-N 1 1 307.394 2.388 50 5 DEBAMO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC(C)(C)O ZINC000072284587 191103727 /nfs/dbraw/zinc/10/37/27/191103727.db2.gz AYSVVAFURQQINJ-UHFFFAOYSA-N 1 1 320.349 2.238 50 5 DEBAMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000036426288 354165203 /nfs/dbraw/zinc/16/52/03/354165203.db2.gz RVYFEWBATUZWFO-LBPRGKRZSA-N 1 1 306.322 2.178 50 5 DEBAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000047937896 183609776 /nfs/dbraw/zinc/60/97/76/183609776.db2.gz JPBZNTIXDCKTHV-LLVKDONJSA-N 1 1 316.361 2.474 50 5 DEBAMO O=C([C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000096411535 402079808 /nfs/dbraw/zinc/07/98/08/402079808.db2.gz QHRRZWDMRXTWFR-HNNXBMFYSA-N 1 1 317.389 2.429 50 5 DEBAMO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000225562981 402321152 /nfs/dbraw/zinc/32/11/52/402321152.db2.gz YBCSCYPAMSLLEP-UHFFFAOYSA-N 1 1 303.362 2.285 50 5 DEBAMO O=[N+]([O-])c1cn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000253416118 402664867 /nfs/dbraw/zinc/66/48/67/402664867.db2.gz PYYUDLXDACLQIF-HNNXBMFYSA-N 1 1 316.361 2.082 50 5 DEBAMO C[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000009388546 401762142 /nfs/dbraw/zinc/76/21/42/401762142.db2.gz XRIQXFKPHZQCKS-UHFFFAOYSA-N 1 1 304.375 2.470 50 5 DEBAMO O=c1ccc([N+](=O)[O-])cn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000031672680 401873006 /nfs/dbraw/zinc/87/30/06/401873006.db2.gz ZVNKPPWOCUFZDA-UHFFFAOYSA-N 1 1 310.313 2.050 50 5 DEBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000077359394 401812042 /nfs/dbraw/zinc/81/20/42/401812042.db2.gz CXJODWKPFGMRMJ-HNNXBMFYSA-N 1 1 315.373 2.461 50 5 DEBAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046990425 401977688 /nfs/dbraw/zinc/97/76/88/401977688.db2.gz LEJTVJUVEXCBKG-LBPRGKRZSA-N 1 1 309.366 2.430 50 5 DEBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)nc1 ZINC000252677545 402660787 /nfs/dbraw/zinc/66/07/87/402660787.db2.gz ZBWKJWYVYWUYMR-TZMCWYRMSA-N 1 1 306.366 2.045 50 5 DEBAMO O=c1oc2ccccc2c(N2CCC[N@@H+]3CCC[C@H]23)c1[N+](=O)[O-] ZINC000033887634 354160352 /nfs/dbraw/zinc/16/03/52/354160352.db2.gz ZLZHCHGGNROWSY-ZDUSSCGKSA-N 1 1 315.329 2.333 50 5 DEBAMO O=c1oc2ccccc2c(N2CCC[N@H+]3CCC[C@H]23)c1[N+](=O)[O-] ZINC000033887634 354160356 /nfs/dbraw/zinc/16/03/56/354160356.db2.gz ZLZHCHGGNROWSY-ZDUSSCGKSA-N 1 1 315.329 2.333 50 5 DEBAMO C[C@H]([NH3+])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000170684752 355992706 /nfs/dbraw/zinc/99/27/06/355992706.db2.gz JVVQEURXHBJNNT-JTQLQIEISA-N 1 1 321.358 2.415 50 5 DEBAMO C[C@@H]1C[NH+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000028936725 401853785 /nfs/dbraw/zinc/85/37/85/401853785.db2.gz AEMACSOUEDFOML-VXGBXAGGSA-N 1 1 308.382 2.290 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000096435727 402086163 /nfs/dbraw/zinc/08/61/63/402086163.db2.gz AVZYDHOLDVPDTN-UONOGXRCSA-N 1 1 322.390 2.051 50 5 DEBAMO O=[N+]([O-])c1ccnn1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284194787 403252891 /nfs/dbraw/zinc/25/28/91/403252891.db2.gz KULZBYNPTKHXGI-HNNXBMFYSA-N 1 1 316.361 2.082 50 5 DEBAMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000155719986 186106158 /nfs/dbraw/zinc/10/61/58/186106158.db2.gz ZNGCZULONJUESG-WFASDCNBSA-N 1 1 305.378 2.362 50 5 DEBAMO O=[N+]([O-])c1ccc(O)cc1CN1CCN(c2cc[nH+]cc2)CC1 ZINC000095982347 402042276 /nfs/dbraw/zinc/04/22/76/402042276.db2.gz BSSDWAPJVKYAFC-UHFFFAOYSA-N 1 1 314.345 2.018 50 5 DEBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCc3ccccn3)C2)nc1 ZINC000096443413 402088379 /nfs/dbraw/zinc/08/83/79/402088379.db2.gz BSTMIUYPNMBMNI-AWEZNQCLSA-N 1 1 313.361 2.114 50 5 DEBAMO C[C@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000108467858 402254357 /nfs/dbraw/zinc/25/43/57/402254357.db2.gz DEUWMUIZJBGQFJ-RYUDHWBXSA-N 1 1 312.391 2.099 50 5 DEBAMO C[C@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000108467858 402254359 /nfs/dbraw/zinc/25/43/59/402254359.db2.gz DEUWMUIZJBGQFJ-RYUDHWBXSA-N 1 1 312.391 2.099 50 5 DEBAMO C[C@H]1OCC[C@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641891 403022453 /nfs/dbraw/zinc/02/24/53/403022453.db2.gz ZNUGASLXMUNUFI-CJNGLKHVSA-N 1 1 306.362 2.017 50 5 DEBAMO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000585133446 790329955 /nfs/dbraw/zinc/32/99/55/790329955.db2.gz IGTABGVSXQRALZ-UHFFFAOYSA-N 1 1 317.345 2.232 50 5 DEBAMO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000585133446 790329968 /nfs/dbraw/zinc/32/99/68/790329968.db2.gz IGTABGVSXQRALZ-UHFFFAOYSA-N 1 1 317.345 2.232 50 5 DEBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000004821388 181156603 /nfs/dbraw/zinc/15/66/03/181156603.db2.gz YUSKNZNZOIGVDT-UHFFFAOYSA-N 1 1 307.350 2.274 50 5 DEBAMO CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000006881724 401733384 /nfs/dbraw/zinc/73/33/84/401733384.db2.gz KZOHYFARCSAXTH-OAHLLOKOSA-N 1 1 308.378 2.457 50 5 DEBAMO O=[N+]([O-])c1cc(Br)cnc1NCC[NH+]1CC=CC1 ZINC000101660545 424847474 /nfs/dbraw/zinc/84/74/74/424847474.db2.gz PIWSTMJNRCCKCS-UHFFFAOYSA-N 1 1 313.155 2.036 50 5 DEBAMO C[N@H+](CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023115074 625086474 /nfs/dbraw/zinc/08/64/74/625086474.db2.gz GTTBMSVQMJSIOH-UHFFFAOYSA-N 1 1 315.329 2.393 50 5 DEBAMO C[N@@H+](CCc1ccccn1)Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000023115074 625086477 /nfs/dbraw/zinc/08/64/77/625086477.db2.gz GTTBMSVQMJSIOH-UHFFFAOYSA-N 1 1 315.329 2.393 50 5 DEBAMO Cc1ccc[nH+]c1NCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000004535006 353992254 /nfs/dbraw/zinc/99/22/54/353992254.db2.gz XBHGRPLJBWERBC-UHFFFAOYSA-N 1 1 300.274 2.276 50 5 DEBAMO CC[NH+]1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004168675 401725250 /nfs/dbraw/zinc/72/52/50/401725250.db2.gz MGULRDBJAAAYHC-UHFFFAOYSA-N 1 1 322.384 2.476 50 5 DEBAMO CC[C@H](NC(=O)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000084734203 401909571 /nfs/dbraw/zinc/90/95/71/401909571.db2.gz ITNVSSNJCPOJSP-HNNXBMFYSA-N 1 1 320.393 2.393 50 5 DEBAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000047937897 401990901 /nfs/dbraw/zinc/99/09/01/401990901.db2.gz JPBZNTIXDCKTHV-NSHDSACASA-N 1 1 316.361 2.474 50 5 DEBAMO CS[C@@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107146003 402226485 /nfs/dbraw/zinc/22/64/85/402226485.db2.gz WPKPBRVICVSWIX-GXTWGEPZSA-N 1 1 323.418 2.410 50 5 DEBAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000229724681 402344979 /nfs/dbraw/zinc/34/49/79/402344979.db2.gz RPCQENURCKNZOD-HIFRSBDPSA-N 1 1 303.362 2.260 50 5 DEBAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000058244680 274859666 /nfs/dbraw/zinc/85/96/66/274859666.db2.gz ZZTPXTOPRUWQKM-UHFFFAOYSA-N 1 1 313.273 2.329 50 5 DEBAMO CC(C)[N@H+]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000084597496 401907202 /nfs/dbraw/zinc/90/72/02/401907202.db2.gz COBHUVFREXEKJR-UHFFFAOYSA-N 1 1 319.405 2.470 50 5 DEBAMO Cc1c(F)cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000067863264 402176330 /nfs/dbraw/zinc/17/63/30/402176330.db2.gz QPTPQLFKXZMJIB-NSHDSACASA-N 1 1 307.325 2.009 50 5 DEBAMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000278773530 214390711 /nfs/dbraw/zinc/39/07/11/214390711.db2.gz LETWRYNEDDWGOE-GFCCVEGCSA-N 1 1 323.368 2.423 50 5 DEBAMO Cc1cc(N2CCC[C@H](C[N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132816 357336085 /nfs/dbraw/zinc/33/60/85/357336085.db2.gz XFTNYKVZIQMDPQ-ZBFHGGJFSA-N 1 1 319.405 2.186 50 5 DEBAMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)c2ncccc12 ZINC000019346412 182118220 /nfs/dbraw/zinc/11/82/20/182118220.db2.gz MWQJTCFIZPLKNM-UHFFFAOYSA-N 1 1 316.361 2.277 50 5 DEBAMO CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058162674 184082809 /nfs/dbraw/zinc/08/28/09/184082809.db2.gz SAAKCPIOWCPBTK-LBPRGKRZSA-N 1 1 306.366 2.448 50 5 DEBAMO Cc1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000160390528 402343619 /nfs/dbraw/zinc/34/36/19/402343619.db2.gz ABKDZIGGPZLUTL-OAHLLOKOSA-N 1 1 305.378 2.204 50 5 DEBAMO C[N@H+](CCn1cccn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171627 185215958 /nfs/dbraw/zinc/21/59/58/185215958.db2.gz RORARMYYDNWATC-UHFFFAOYSA-N 1 1 301.306 2.065 50 5 DEBAMO C[N@@H+](CCn1cccn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171627 185215959 /nfs/dbraw/zinc/21/59/59/185215959.db2.gz RORARMYYDNWATC-UHFFFAOYSA-N 1 1 301.306 2.065 50 5 DEBAMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)c2cccnc21 ZINC000019346416 182117424 /nfs/dbraw/zinc/11/74/24/182117424.db2.gz OSSFBXJGCMEXJP-UHFFFAOYSA-N 1 1 316.361 2.277 50 5 DEBAMO O=[N+]([O-])c1ccccc1OCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000048368926 183652676 /nfs/dbraw/zinc/65/26/76/183652676.db2.gz NTWLTWKACWOUQN-CYBMUJFWSA-N 1 1 306.362 2.475 50 5 DEBAMO CCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](C)C(=O)OC ZINC000065542316 286081784 /nfs/dbraw/zinc/08/17/84/286081784.db2.gz HEDSTZVXARKJMN-CYBMUJFWSA-N 1 1 324.377 2.242 50 5 DEBAMO Cc1c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000096424607 402083527 /nfs/dbraw/zinc/08/35/27/402083527.db2.gz WUGDHHXPXUSOFV-HNNXBMFYSA-N 1 1 319.405 2.057 50 5 DEBAMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069561938 402231267 /nfs/dbraw/zinc/23/12/67/402231267.db2.gz GMBBBTCSSZKYAN-QGZVFWFLSA-N 1 1 318.421 2.201 50 5 DEBAMO Cc1cc(N2CCC[C@H](C[N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132813 357336198 /nfs/dbraw/zinc/33/61/98/357336198.db2.gz XFTNYKVZIQMDPQ-GDBMZVCRSA-N 1 1 319.405 2.186 50 5 DEBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000058246566 184094414 /nfs/dbraw/zinc/09/44/14/184094414.db2.gz FXDUUTLHAWCCMH-STQMWFEESA-N 1 1 321.377 2.341 50 5 DEBAMO CC[N@H+]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346203175 146037452 /nfs/dbraw/zinc/03/74/52/146037452.db2.gz YTHOIIPGBNTNIS-ZIAGYGMSSA-N 1 1 307.394 2.388 50 5 DEBAMO O=[N+]([O-])c1ccccc1OCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000048368924 401999470 /nfs/dbraw/zinc/99/94/70/401999470.db2.gz NTWLTWKACWOUQN-ZDUSSCGKSA-N 1 1 306.362 2.475 50 5 DEBAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000229724685 402344933 /nfs/dbraw/zinc/34/49/33/402344933.db2.gz RPCQENURCKNZOD-ZFWWWQNUSA-N 1 1 303.362 2.260 50 5 DEBAMO O=[N+]([O-])c1cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000253416119 402664862 /nfs/dbraw/zinc/66/48/62/402664862.db2.gz PYYUDLXDACLQIF-OAHLLOKOSA-N 1 1 316.361 2.082 50 5 DEBAMO C[C@H]1OCC[C@@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641897 403022299 /nfs/dbraw/zinc/02/22/99/403022299.db2.gz ZNUGASLXMUNUFI-CZUORRHYSA-N 1 1 306.362 2.017 50 5 DEBAMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000096009764 280376043 /nfs/dbraw/zinc/37/60/43/280376043.db2.gz LYRFGSZCOHWPKU-CYBMUJFWSA-N 1 1 306.362 2.211 50 5 DEBAMO C[C@@H]1C[NH+](CCOCCOc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000020652989 182242189 /nfs/dbraw/zinc/24/21/89/182242189.db2.gz ZKKLXQCDHKSMQJ-ZIAGYGMSSA-N 1 1 324.377 2.099 50 5 DEBAMO CCN(CC)c1cc(N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000004574982 401726686 /nfs/dbraw/zinc/72/66/86/401726686.db2.gz WKIDHLFZQMHTGW-UHFFFAOYSA-N 1 1 310.373 2.332 50 5 DEBAMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000071888994 401692680 /nfs/dbraw/zinc/69/26/80/401692680.db2.gz VYZSBLMRESQRAZ-BTKRWWFXSA-N 1 1 315.373 2.209 50 5 DEBAMO Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000084101508 401902451 /nfs/dbraw/zinc/90/24/51/401902451.db2.gz IXUQCPNVFPMHKQ-UHFFFAOYSA-N 1 1 307.394 2.186 50 5 DEBAMO CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000006881723 181401167 /nfs/dbraw/zinc/40/11/67/181401167.db2.gz KZOHYFARCSAXTH-HNNXBMFYSA-N 1 1 308.378 2.457 50 5 DEBAMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092100735 193158173 /nfs/dbraw/zinc/15/81/73/193158173.db2.gz BYZRGWRCXWSMEP-OAHLLOKOSA-N 1 1 305.378 2.203 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000107062604 402225868 /nfs/dbraw/zinc/22/58/68/402225868.db2.gz POSWYWGDPOXOEB-CHWSQXEVSA-N 1 1 322.390 2.051 50 5 DEBAMO CC(C)[N@H+]1CC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069596341 402233814 /nfs/dbraw/zinc/23/38/14/402233814.db2.gz JUPVXMVXLDRUFZ-NPQIQWPPSA-N 1 1 303.362 2.207 50 5 DEBAMO Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccc(N)[nH+]c3)CC2)c1 ZINC000088715950 281012134 /nfs/dbraw/zinc/01/21/34/281012134.db2.gz NQNYYPQFDMRZFQ-UHFFFAOYSA-N 1 1 313.361 2.207 50 5 DEBAMO COc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000110627052 194343964 /nfs/dbraw/zinc/34/39/64/194343964.db2.gz RXVFZBXBBXPFKQ-NEPJUHHUSA-N 1 1 309.366 2.125 50 5 DEBAMO COc1cc(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000110627052 194343966 /nfs/dbraw/zinc/34/39/66/194343966.db2.gz RXVFZBXBBXPFKQ-NEPJUHHUSA-N 1 1 309.366 2.125 50 5 DEBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC000058264585 184096192 /nfs/dbraw/zinc/09/61/92/184096192.db2.gz LERLPENLESAIQV-JSGCOSHPSA-N 1 1 305.378 2.456 50 5 DEBAMO COc1cc(NC[C@@H](C)[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000245339318 533033911 /nfs/dbraw/zinc/03/39/11/533033911.db2.gz RXVFZBXBBXPFKQ-VXGBXAGGSA-N 1 1 309.366 2.125 50 5 DEBAMO COc1cc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000245339318 533033915 /nfs/dbraw/zinc/03/39/15/533033915.db2.gz RXVFZBXBBXPFKQ-VXGBXAGGSA-N 1 1 309.366 2.125 50 5 DEBAMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082823 402104774 /nfs/dbraw/zinc/10/47/74/402104774.db2.gz VZVUIUNKPAYWIS-LLVKDONJSA-N 1 1 311.769 2.478 50 5 DEBAMO O=[N+]([O-])c1ccc(CN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000585133440 790330263 /nfs/dbraw/zinc/33/02/63/790330263.db2.gz IBQNHHPTDAZELL-UHFFFAOYSA-N 1 1 319.405 2.282 50 5 DEBAMO CC[N@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000058077981 184073491 /nfs/dbraw/zinc/07/34/91/184073491.db2.gz CUARBDFQFSGBCT-SNVBAGLBSA-N 1 1 309.395 2.448 50 5 DEBAMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000221779931 274004775 /nfs/dbraw/zinc/00/47/75/274004775.db2.gz KWUSCKMSKFCIFU-OLZOCXBDSA-N 1 1 319.361 2.054 50 5 DEBAMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069563069 277045322 /nfs/dbraw/zinc/04/53/22/277045322.db2.gz UMJXSIGWEOSLPW-OAHLLOKOSA-N 1 1 318.421 2.201 50 5 DEBAMO C[C@@]12CC[C@@H](C1)C(C)(C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000585116048 789702347 /nfs/dbraw/zinc/70/23/47/789702347.db2.gz FMAGWHZLYOGSHH-JGGQBBKZSA-N 1 1 322.409 2.053 50 5 DEBAMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000072836483 191236416 /nfs/dbraw/zinc/23/64/16/191236416.db2.gz NOOREMLMNQGZPY-AWEZNQCLSA-N 1 1 323.418 2.267 50 5 DEBAMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000046955893 354299079 /nfs/dbraw/zinc/29/90/79/354299079.db2.gz RIECFBYSPWOSRW-GFCCVEGCSA-N 1 1 306.366 2.367 50 5 DEBAMO CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000058162673 184082848 /nfs/dbraw/zinc/08/28/48/184082848.db2.gz SAAKCPIOWCPBTK-GFCCVEGCSA-N 1 1 306.366 2.448 50 5 DEBAMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000058246567 184094532 /nfs/dbraw/zinc/09/45/32/184094532.db2.gz FXDUUTLHAWCCMH-QWHCGFSZSA-N 1 1 321.377 2.341 50 5 DEBAMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO1 ZINC000052102574 402039467 /nfs/dbraw/zinc/03/94/67/402039467.db2.gz ILJIDGDEGVTQMM-CQSZACIVSA-N 1 1 308.334 2.072 50 5 DEBAMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CCCO1 ZINC000052102574 402039468 /nfs/dbraw/zinc/03/94/68/402039468.db2.gz ILJIDGDEGVTQMM-CQSZACIVSA-N 1 1 308.334 2.072 50 5 DEBAMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO1 ZINC000052102573 402039527 /nfs/dbraw/zinc/03/95/27/402039527.db2.gz ILJIDGDEGVTQMM-AWEZNQCLSA-N 1 1 308.334 2.072 50 5 DEBAMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CCCO1 ZINC000052102573 402039528 /nfs/dbraw/zinc/03/95/28/402039528.db2.gz ILJIDGDEGVTQMM-AWEZNQCLSA-N 1 1 308.334 2.072 50 5 DEBAMO CC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000096455220 402091325 /nfs/dbraw/zinc/09/13/25/402091325.db2.gz ZMZAAGLEVWQFKX-ZDUSSCGKSA-N 1 1 320.393 2.311 50 5 DEBAMO Cn1cc[nH+]c1[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000328586285 294417337 /nfs/dbraw/zinc/41/73/37/294417337.db2.gz PHDYNRPAHCASAQ-LLVKDONJSA-N 1 1 301.350 2.295 50 5 DEBAMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072794240 191229182 /nfs/dbraw/zinc/22/91/82/191229182.db2.gz WGRLHAQCJIAQFE-OLZOCXBDSA-N 1 1 323.418 2.410 50 5 DEBAMO O=C([C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000071898306 401694556 /nfs/dbraw/zinc/69/45/56/401694556.db2.gz JEECIMFBHCKHHM-CYBMUJFWSA-N 1 1 323.418 2.491 50 5 DEBAMO O=C([C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000071898306 401694558 /nfs/dbraw/zinc/69/45/58/401694558.db2.gz JEECIMFBHCKHHM-CYBMUJFWSA-N 1 1 323.418 2.491 50 5 DEBAMO CCOC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000096490016 402095619 /nfs/dbraw/zinc/09/56/19/402095619.db2.gz JZMRHHIORSAQPI-UHFFFAOYSA-N 1 1 311.338 2.241 50 5 DEBAMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229724510 402344888 /nfs/dbraw/zinc/34/48/88/402344888.db2.gz YXAKSGRPDJHZLU-KJMJWJSPSA-N 1 1 315.373 2.351 50 5 DEBAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000000292230 353989718 /nfs/dbraw/zinc/98/97/18/353989718.db2.gz GBIAKXKXELRQKI-GFCCVEGCSA-N 1 1 309.366 2.268 50 5 DEBAMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCO)CC1 ZINC000072270376 354899858 /nfs/dbraw/zinc/89/98/58/354899858.db2.gz UENFXJYNBGRGTN-GFCCVEGCSA-N 1 1 321.377 2.016 50 5 DEBAMO O=c1oc2ccccc2c(N2CCC[N@@H+]3CCC[C@@H]23)c1[N+](=O)[O-] ZINC000230212527 356283673 /nfs/dbraw/zinc/28/36/73/356283673.db2.gz ZLZHCHGGNROWSY-CYBMUJFWSA-N 1 1 315.329 2.333 50 5 DEBAMO O=c1oc2ccccc2c(N2CCC[N@H+]3CCC[C@@H]23)c1[N+](=O)[O-] ZINC000230212527 356283676 /nfs/dbraw/zinc/28/36/76/356283676.db2.gz ZLZHCHGGNROWSY-CYBMUJFWSA-N 1 1 315.329 2.333 50 5 DEBAMO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179465929 199040267 /nfs/dbraw/zinc/04/02/67/199040267.db2.gz HTFJNNWBPDGXMF-CQSZACIVSA-N 1 1 301.350 2.332 50 5 DEBAMO Cc1ccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179465929 199040269 /nfs/dbraw/zinc/04/02/69/199040269.db2.gz HTFJNNWBPDGXMF-CQSZACIVSA-N 1 1 301.350 2.332 50 5 DEBAMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000009317855 401761061 /nfs/dbraw/zinc/76/10/61/401761061.db2.gz FUXRAXYJKMBDLR-CYBMUJFWSA-N 1 1 303.318 2.221 50 5 DEBAMO C[C@@H]1C[N@@H+](CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000016489143 401819690 /nfs/dbraw/zinc/81/96/90/401819690.db2.gz ZKKLXQCDHKSMQJ-OKILXGFUSA-N 1 1 324.377 2.099 50 5 DEBAMO C[C@@H]1C[N@H+](CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000016489143 401819691 /nfs/dbraw/zinc/81/96/91/401819691.db2.gz ZKKLXQCDHKSMQJ-OKILXGFUSA-N 1 1 324.377 2.099 50 5 DEBAMO C[C@@H]1C[N@H+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000028936728 401853911 /nfs/dbraw/zinc/85/39/11/401853911.db2.gz AEMACSOUEDFOML-TXEJJXNPSA-N 1 1 308.382 2.290 50 5 DEBAMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000028936728 401853914 /nfs/dbraw/zinc/85/39/14/401853914.db2.gz AEMACSOUEDFOML-TXEJJXNPSA-N 1 1 308.382 2.290 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000247290908 402562563 /nfs/dbraw/zinc/56/25/63/402562563.db2.gz AVZYDHOLDVPDTN-KGLIPLIRSA-N 1 1 322.390 2.051 50 5 DEBAMO C[C@H](CCN1CC[NH+](C)CC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000274488887 403060581 /nfs/dbraw/zinc/06/05/81/403060581.db2.gz PPMCMHXABPNCHM-GFCCVEGCSA-N 1 1 310.373 2.172 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000110635409 194345127 /nfs/dbraw/zinc/34/51/27/194345127.db2.gz AVZYDHOLDVPDTN-ZIAGYGMSSA-N 1 1 322.390 2.051 50 5 DEBAMO CC(C)C[N@H+]1CC[C@]2(O)Oc3ccc([N+](=O)[O-])cc3C=C2C1 ZINC000004863273 401727544 /nfs/dbraw/zinc/72/75/44/401727544.db2.gz PAFPXGOUKLXZBO-INIZCTEOSA-N 1 1 304.346 2.421 50 5 DEBAMO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc[nH+]1 ZINC000075610754 401764001 /nfs/dbraw/zinc/76/40/01/401764001.db2.gz LDWZUUSSGZMGHG-UHFFFAOYSA-N 1 1 307.331 2.407 50 5 DEBAMO Cc1nn(C)c(NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000097474150 402125468 /nfs/dbraw/zinc/12/54/68/402125468.db2.gz ZTAAVQGABJIYOT-UHFFFAOYSA-N 1 1 315.377 2.107 50 5 DEBAMO O=C(Cc1cccc([N+](=O)[O-])c1)Nc1c[nH+]ccc1-n1cccn1 ZINC000095401647 185354748 /nfs/dbraw/zinc/35/47/48/185354748.db2.gz WXUCFCMYGKURMY-UHFFFAOYSA-N 1 1 323.312 2.357 50 5 DEBAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000047937854 183609655 /nfs/dbraw/zinc/60/96/55/183609655.db2.gz DRBAGMROOOLVAU-LLVKDONJSA-N 1 1 316.361 2.474 50 5 DEBAMO Cc1cc(N2CCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000160390673 402343570 /nfs/dbraw/zinc/34/35/70/402343570.db2.gz ABKDZIGGPZLUTL-HNNXBMFYSA-N 1 1 305.378 2.204 50 5 DEBAMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229724504 402344685 /nfs/dbraw/zinc/34/46/85/402344685.db2.gz YXAKSGRPDJHZLU-KTYGHDLGSA-N 1 1 315.373 2.351 50 5 DEBAMO Cn1cc[nH+]c1[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000328586286 563929752 /nfs/dbraw/zinc/92/97/52/563929752.db2.gz PHDYNRPAHCASAQ-NSHDSACASA-N 1 1 301.350 2.295 50 5 DEBAMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000032895432 401885653 /nfs/dbraw/zinc/88/56/53/401885653.db2.gz JPKKOMQEHWUDCY-NSHDSACASA-N 1 1 322.365 2.209 50 5 DEBAMO Cc1c([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967708 402038642 /nfs/dbraw/zinc/03/86/42/402038642.db2.gz MYEUNCHBJXROHE-ZNMIVQPWSA-N 1 1 319.405 2.417 50 5 DEBAMO Cc1c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967708 402038646 /nfs/dbraw/zinc/03/86/46/402038646.db2.gz MYEUNCHBJXROHE-ZNMIVQPWSA-N 1 1 319.405 2.417 50 5 DEBAMO CC(C)c1[nH+]ccn1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097085528 402105939 /nfs/dbraw/zinc/10/59/39/402105939.db2.gz GCQDRZRIDCNZKP-UHFFFAOYSA-N 1 1 323.374 2.389 50 5 DEBAMO C[NH+]1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000070708816 402263535 /nfs/dbraw/zinc/26/35/35/402263535.db2.gz LKSIWQXQFAMVHT-HWKANZROSA-N 1 1 309.753 2.035 50 5 DEBAMO NC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000084351053 539395204 /nfs/dbraw/zinc/39/52/04/539395204.db2.gz IRHZSPCFSXPYBE-LLVKDONJSA-N 1 1 318.377 2.123 50 5 DEBAMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000072635717 191205917 /nfs/dbraw/zinc/20/59/17/191205917.db2.gz HEFFDHFORYKWPX-CQSZACIVSA-N 1 1 321.377 2.343 50 5 DEBAMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H]1CCCO1 ZINC000072635717 191205920 /nfs/dbraw/zinc/20/59/20/191205920.db2.gz HEFFDHFORYKWPX-CQSZACIVSA-N 1 1 321.377 2.343 50 5 DEBAMO Cc1ccc(C[N@@H+]2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179465912 199040154 /nfs/dbraw/zinc/04/01/54/199040154.db2.gz HTFJNNWBPDGXMF-AWEZNQCLSA-N 1 1 301.350 2.332 50 5 DEBAMO Cc1ccc(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000179465912 199040155 /nfs/dbraw/zinc/04/01/55/199040155.db2.gz HTFJNNWBPDGXMF-AWEZNQCLSA-N 1 1 301.350 2.332 50 5 DEBAMO C[C@H]1C[NH+](C(C)(C)CNc2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000028936731 401853997 /nfs/dbraw/zinc/85/39/97/401853997.db2.gz AEMACSOUEDFOML-RYUDHWBXSA-N 1 1 308.382 2.290 50 5 DEBAMO C[C@H](C1CC1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078723325 401863842 /nfs/dbraw/zinc/86/38/42/401863842.db2.gz AITKGEDEWDUMQC-LLVKDONJSA-N 1 1 303.362 2.214 50 5 DEBAMO Cc1ccnc(NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000170613076 402507609 /nfs/dbraw/zinc/50/76/09/402507609.db2.gz FVVLQSHCKOIEBV-UHFFFAOYSA-N 1 1 316.365 2.113 50 5 DEBAMO Cc1nc(NC2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000364604933 404467786 /nfs/dbraw/zinc/46/77/86/404467786.db2.gz KONQKRAJLQFYME-UHFFFAOYSA-N 1 1 316.365 2.113 50 5 DEBAMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000110646111 194346076 /nfs/dbraw/zinc/34/60/76/194346076.db2.gz WGRLHAQCJIAQFE-QWHCGFSZSA-N 1 1 323.418 2.410 50 5 DEBAMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000151014508 402010951 /nfs/dbraw/zinc/01/09/51/402010951.db2.gz HNULKLKFUGNZMK-CYBMUJFWSA-N 1 1 301.350 2.472 50 5 DEBAMO Cc1ccn(CC[N@H+](C)Cc2ccc(F)cc2)c(=O)c1[N+](=O)[O-] ZINC000097377178 402123460 /nfs/dbraw/zinc/12/34/60/402123460.db2.gz LWJIVOKZGRNXKJ-UHFFFAOYSA-N 1 1 319.336 2.336 50 5 DEBAMO CC1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000253417327 402664661 /nfs/dbraw/zinc/66/46/61/402664661.db2.gz SPHQVOZGFNTWQW-UHFFFAOYSA-N 1 1 319.405 2.328 50 5 DEBAMO CC1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000253417327 402664664 /nfs/dbraw/zinc/66/46/64/402664664.db2.gz SPHQVOZGFNTWQW-UHFFFAOYSA-N 1 1 319.405 2.328 50 5 DEBAMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000095394190 185352168 /nfs/dbraw/zinc/35/21/68/185352168.db2.gz GJGWCMHISPYOEU-OAHLLOKOSA-N 1 1 315.373 2.461 50 5 DEBAMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000077359396 191700076 /nfs/dbraw/zinc/70/00/76/191700076.db2.gz CXJODWKPFGMRMJ-OAHLLOKOSA-N 1 1 315.373 2.461 50 5 DEBAMO O=c1ccn(Cc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000089808148 401965424 /nfs/dbraw/zinc/96/54/24/401965424.db2.gz QYXAKBIDVWNJKO-UHFFFAOYSA-N 1 1 304.693 2.106 50 5 DEBAMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000104102003 402197720 /nfs/dbraw/zinc/19/77/20/402197720.db2.gz VYZSBLMRESQRAZ-HJHHMULASA-N 1 1 315.373 2.209 50 5 DEBAMO C[C@@H]1CC[C@H](C)[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096501999 274316314 /nfs/dbraw/zinc/31/63/14/274316314.db2.gz NMFBACPTOZQYFO-TXEJJXNPSA-N 1 1 312.391 2.241 50 5 DEBAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096501999 274316319 /nfs/dbraw/zinc/31/63/19/274316319.db2.gz NMFBACPTOZQYFO-TXEJJXNPSA-N 1 1 312.391 2.241 50 5 DEBAMO CC[C@@H](NC(=O)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000084734204 401909817 /nfs/dbraw/zinc/90/98/17/401909817.db2.gz ITNVSSNJCPOJSP-OAHLLOKOSA-N 1 1 320.393 2.393 50 5 DEBAMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000046952221 401975956 /nfs/dbraw/zinc/97/59/56/401975956.db2.gz MNYRYKZVTXVSJD-KGLIPLIRSA-N 1 1 319.405 2.374 50 5 DEBAMO CS[C@@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000107146006 402226325 /nfs/dbraw/zinc/22/63/25/402226325.db2.gz WPKPBRVICVSWIX-TZMCWYRMSA-N 1 1 323.418 2.410 50 5 DEBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)nc1 ZINC000078950148 185134214 /nfs/dbraw/zinc/13/42/14/185134214.db2.gz ZBWKJWYVYWUYMR-JSGCOSHPSA-N 1 1 306.366 2.045 50 5 DEBAMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000072635714 191205561 /nfs/dbraw/zinc/20/55/61/191205561.db2.gz HEFFDHFORYKWPX-AWEZNQCLSA-N 1 1 321.377 2.343 50 5 DEBAMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H]1CCCO1 ZINC000072635714 191205564 /nfs/dbraw/zinc/20/55/64/191205564.db2.gz HEFFDHFORYKWPX-AWEZNQCLSA-N 1 1 321.377 2.343 50 5 DEBAMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000097371904 285165084 /nfs/dbraw/zinc/16/50/84/285165084.db2.gz MITCFIKAIDGRPS-HZSPNIEDSA-N 1 1 306.362 2.066 50 5 DEBAMO COc1cc(NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000078252630 401844575 /nfs/dbraw/zinc/84/45/75/401844575.db2.gz RXVFZBXBBXPFKQ-RYUDHWBXSA-N 1 1 309.366 2.125 50 5 DEBAMO COc1cc(NC[C@H](C)[N@H+]2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000078252630 401844578 /nfs/dbraw/zinc/84/45/78/401844578.db2.gz RXVFZBXBBXPFKQ-RYUDHWBXSA-N 1 1 309.366 2.125 50 5 DEBAMO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000046952223 401975658 /nfs/dbraw/zinc/97/56/58/401975658.db2.gz MNYRYKZVTXVSJD-KBPBESRZSA-N 1 1 319.405 2.374 50 5 DEBAMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000047937972 401990695 /nfs/dbraw/zinc/99/06/95/401990695.db2.gz SVDSULIPKLVOKR-LLVKDONJSA-N 1 1 316.361 2.474 50 5 DEBAMO O=[N+]([O-])c1ccnn1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284194790 403252762 /nfs/dbraw/zinc/25/27/62/403252762.db2.gz KULZBYNPTKHXGI-OAHLLOKOSA-N 1 1 316.361 2.082 50 5 DEBAMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000110646116 194345342 /nfs/dbraw/zinc/34/53/42/194345342.db2.gz WGRLHAQCJIAQFE-CHWSQXEVSA-N 1 1 323.418 2.410 50 5 DEBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccsc3)CC2)nc1 ZINC000023674432 401828589 /nfs/dbraw/zinc/82/85/89/401828589.db2.gz MENAXQDFGSOIAA-UHFFFAOYSA-N 1 1 304.375 2.374 50 5 DEBAMO O=[N+]([O-])c1cccc(OCC[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000046091780 401965403 /nfs/dbraw/zinc/96/54/03/401965403.db2.gz BCSSLNFMHHFSPG-ZDUSSCGKSA-N 1 1 306.362 2.475 50 5 DEBAMO CC[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000096455221 402091280 /nfs/dbraw/zinc/09/12/80/402091280.db2.gz ZMZAAGLEVWQFKX-CYBMUJFWSA-N 1 1 320.393 2.311 50 5 DEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000195559644 402850982 /nfs/dbraw/zinc/85/09/82/402850982.db2.gz MSDROJWKXXTQMX-STQMWFEESA-N 1 1 324.402 2.100 50 5 DEBAMO O=C(CC[N@H+]1CCO[C@H]2CCC[C@@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000095397366 185353257 /nfs/dbraw/zinc/35/32/57/185353257.db2.gz ZCQHQSSGEPUYTB-GJZGRUSLSA-N 1 1 319.361 2.177 50 5 DEBAMO O=C(CC[N@H+]1CCO[C@@H]2CCC[C@@H]21)Nc1cccc([N+](=O)[O-])c1 ZINC000095397367 185353310 /nfs/dbraw/zinc/35/33/10/185353310.db2.gz ZCQHQSSGEPUYTB-LSDHHAIUSA-N 1 1 319.361 2.177 50 5 DEBAMO C[N@@H+](CCCNC(=O)c1ccc([N+](=O)[O-])o1)Cc1ccccc1 ZINC000041981197 183227343 /nfs/dbraw/zinc/22/73/43/183227343.db2.gz NAQFBOMJWGEIRC-UHFFFAOYSA-N 1 1 317.345 2.440 50 5 DEBAMO Cc1ccc([N+](=O)[O-])c(OCCCCN2CC[NH+](C)CC2)c1 ZINC000004842547 181162069 /nfs/dbraw/zinc/16/20/69/181162069.db2.gz YGMQPYFWKQDOAH-UHFFFAOYSA-N 1 1 307.394 2.310 50 5 DEBAMO Cn1cc[nH+]c1CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000105793598 194129503 /nfs/dbraw/zinc/12/95/03/194129503.db2.gz RUWBLVITFSXJEG-UHFFFAOYSA-N 1 1 301.350 2.182 50 5 DEBAMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000009317849 401761173 /nfs/dbraw/zinc/76/11/73/401761173.db2.gz FUXRAXYJKMBDLR-ZDUSSCGKSA-N 1 1 303.318 2.221 50 5 DEBAMO C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000095957545 402036811 /nfs/dbraw/zinc/03/68/11/402036811.db2.gz QCTPWHZLVYZDHN-OAHLLOKOSA-N 1 1 321.377 2.424 50 5 DEBAMO COC(=O)c1cc(N2CC[N@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000096405625 402078512 /nfs/dbraw/zinc/07/85/12/402078512.db2.gz AYFJUUBVOJQFJR-CYBMUJFWSA-N 1 1 319.361 2.056 50 5 DEBAMO COC(=O)c1cc(N2CC[N@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000247808039 533851932 /nfs/dbraw/zinc/85/19/32/533851932.db2.gz AYFJUUBVOJQFJR-ZDUSSCGKSA-N 1 1 319.361 2.056 50 5 DEBAMO C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757791 355277395 /nfs/dbraw/zinc/27/73/95/355277395.db2.gz REFQDNMXDGDGLV-QWHCGFSZSA-N 1 1 320.393 2.249 50 5 DEBAMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092100734 193158294 /nfs/dbraw/zinc/15/82/94/193158294.db2.gz BYZRGWRCXWSMEP-HNNXBMFYSA-N 1 1 305.378 2.203 50 5 DEBAMO Cc1[nH+]ccn1CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000040555826 183101590 /nfs/dbraw/zinc/10/15/90/183101590.db2.gz SAKWZWUIIYQLFJ-VOTSOKGWSA-N 1 1 314.345 2.319 50 5 DEBAMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000096009765 285164211 /nfs/dbraw/zinc/16/42/11/285164211.db2.gz LYRFGSZCOHWPKU-ZDUSSCGKSA-N 1 1 306.362 2.211 50 5 DEBAMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](O)C3)co2)cc1 ZINC000089883498 401969817 /nfs/dbraw/zinc/96/98/17/401969817.db2.gz WLEWDMSQAMIHGV-CQSZACIVSA-N 1 1 303.318 2.207 50 5 DEBAMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](O)C3)co2)cc1 ZINC000089883498 401969818 /nfs/dbraw/zinc/96/98/18/401969818.db2.gz WLEWDMSQAMIHGV-CQSZACIVSA-N 1 1 303.318 2.207 50 5 DEBAMO Cc1[nH+]ccn1CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000054352590 402066332 /nfs/dbraw/zinc/06/63/32/402066332.db2.gz SAKWZWUIIYQLFJ-SREVYHEPSA-N 1 1 314.345 2.319 50 5 DEBAMO C[NH+]1CCN(c2cc(N3CCCCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004819009 277112385 /nfs/dbraw/zinc/11/23/85/277112385.db2.gz OHHVQAPGNBERKH-UHFFFAOYSA-N 1 1 322.384 2.476 50 5 DEBAMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000160480680 297019983 /nfs/dbraw/zinc/01/99/83/297019983.db2.gz DOKPVWFTFVGPBY-MCIONIFRSA-N 1 1 320.393 2.068 50 5 DEBAMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000195570832 297027678 /nfs/dbraw/zinc/02/76/78/297027678.db2.gz DOKPVWFTFVGPBY-MGPQQGTHSA-N 1 1 320.393 2.068 50 5 DEBAMO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000010328248 401769677 /nfs/dbraw/zinc/76/96/77/401769677.db2.gz FGXWJJZGAICXDR-CYBMUJFWSA-N 1 1 303.318 2.221 50 5 DEBAMO C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000012823058 401792306 /nfs/dbraw/zinc/79/23/06/401792306.db2.gz WOUKGDOMONFDLZ-RYUDHWBXSA-N 1 1 308.382 2.290 50 5 DEBAMO CC[C@@H]([C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C)[N+](=O)[O-] ZINC000020113871 401823206 /nfs/dbraw/zinc/82/32/06/401823206.db2.gz MQCPYEYBHUVZJP-GWCFXTLKSA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO CC[C@@H]([C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C)[N+](=O)[O-] ZINC000020113871 401823207 /nfs/dbraw/zinc/82/32/07/401823207.db2.gz MQCPYEYBHUVZJP-GWCFXTLKSA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO C[NH+]1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1 ZINC000057234397 277097053 /nfs/dbraw/zinc/09/70/53/277097053.db2.gz QOPQEWAUNUPGDM-UHFFFAOYSA-N 1 1 322.364 2.334 50 5 aggregator DEBAMO Cc1cc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247527155 524134210 /nfs/dbraw/zinc/13/42/10/524134210.db2.gz ZNGCZULONJUESG-IUODEOHRSA-N 1 1 305.378 2.362 50 5 DEBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCCCO3)C2)nc1 ZINC000078950145 185134263 /nfs/dbraw/zinc/13/42/63/185134263.db2.gz ZBWKJWYVYWUYMR-OCCSQVGLSA-N 1 1 306.366 2.045 50 5 DEBAMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H](O)CC1CCCC1)CC2 ZINC000225598362 186281814 /nfs/dbraw/zinc/28/18/14/186281814.db2.gz VUDGAKLEPXLTPV-OAHLLOKOSA-N 1 1 305.378 2.289 50 5 DEBAMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@H](O)CC1CCCC1)CC2 ZINC000225598362 186281816 /nfs/dbraw/zinc/28/18/16/186281816.db2.gz VUDGAKLEPXLTPV-OAHLLOKOSA-N 1 1 305.378 2.289 50 5 DEBAMO O=C([C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000071898304 401694356 /nfs/dbraw/zinc/69/43/56/401694356.db2.gz JEECIMFBHCKHHM-ZDUSSCGKSA-N 1 1 323.418 2.491 50 5 DEBAMO O=C([C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000071898304 401694359 /nfs/dbraw/zinc/69/43/59/401694359.db2.gz JEECIMFBHCKHHM-ZDUSSCGKSA-N 1 1 323.418 2.491 50 5 DEBAMO C[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000095957544 402036481 /nfs/dbraw/zinc/03/64/81/402036481.db2.gz QCTPWHZLVYZDHN-HNNXBMFYSA-N 1 1 321.377 2.424 50 5 DEBAMO O=C([C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000004746222 181147108 /nfs/dbraw/zinc/14/71/08/181147108.db2.gz GQBUOBMECVJKKK-HNNXBMFYSA-N 1 1 317.389 2.429 50 5 DEBAMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000106078667 194184349 /nfs/dbraw/zinc/18/43/49/194184349.db2.gz MNYRYKZVTXVSJD-UONOGXRCSA-N 1 1 319.405 2.374 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000076082255 401781472 /nfs/dbraw/zinc/78/14/72/401781472.db2.gz POSWYWGDPOXOEB-QWHCGFSZSA-N 1 1 322.390 2.051 50 5 DEBAMO Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000079029277 185147565 /nfs/dbraw/zinc/14/75/65/185147565.db2.gz HZSOYIHUDWDMGX-UHFFFAOYSA-N 1 1 307.331 2.407 50 5 DEBAMO COc1ncnc2c1C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000092807822 539427862 /nfs/dbraw/zinc/42/78/62/539427862.db2.gz HPLSLEDISCZWJY-UHFFFAOYSA-N 1 1 314.345 2.260 50 5 DEBAMO COc1ncnc2c1C[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000092807822 539427866 /nfs/dbraw/zinc/42/78/66/539427866.db2.gz HPLSLEDISCZWJY-UHFFFAOYSA-N 1 1 314.345 2.260 50 5 DEBAMO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(Br)c2F)CC1 ZINC000003904581 401725056 /nfs/dbraw/zinc/72/50/56/401725056.db2.gz NMFIYLCTVJBENN-UHFFFAOYSA-N 1 1 318.146 2.248 50 5 DEBAMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000071888993 401692911 /nfs/dbraw/zinc/69/29/11/401692911.db2.gz VYZSBLMRESQRAZ-GBXSZLQWSA-N 1 1 315.373 2.209 50 5 DEBAMO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c[nH+]1 ZINC000071893744 401693480 /nfs/dbraw/zinc/69/34/80/401693480.db2.gz ILYHDOHUFBEBST-UHFFFAOYSA-N 1 1 317.324 2.038 50 5 DEBAMO CC(C)[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000097312364 402121617 /nfs/dbraw/zinc/12/16/17/402121617.db2.gz JUPVXMVXLDRUFZ-DANTVBBOSA-N 1 1 303.362 2.207 50 5 DEBAMO COc1cc(C[NH2+]Cc2cccnc2)c([N+](=O)[O-])cc1OC ZINC000069561589 402230868 /nfs/dbraw/zinc/23/08/68/402230868.db2.gz GEOMLYTWPHVCEJ-UHFFFAOYSA-N 1 1 303.318 2.297 50 5 DEBAMO CC[C@@H]([C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C)[N+](=O)[O-] ZINC000020113877 182188573 /nfs/dbraw/zinc/18/85/73/182188573.db2.gz MQCPYEYBHUVZJP-GXFFZTMASA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO CC[C@@H]([C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C)[N+](=O)[O-] ZINC000020113877 182188576 /nfs/dbraw/zinc/18/85/76/182188576.db2.gz MQCPYEYBHUVZJP-GXFFZTMASA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO C[C@H]1C[NH+](CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000020652996 182242295 /nfs/dbraw/zinc/24/22/95/182242295.db2.gz ZKKLXQCDHKSMQJ-KBPBESRZSA-N 1 1 324.377 2.099 50 5 DEBAMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000069561939 184525966 /nfs/dbraw/zinc/52/59/66/184525966.db2.gz GMBBBTCSSZKYAN-KRWDZBQOSA-N 1 1 318.421 2.201 50 5 DEBAMO C[NH+]1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004873120 401727312 /nfs/dbraw/zinc/72/73/12/401727312.db2.gz JTOSYTUOPAVOQX-UHFFFAOYSA-N 1 1 322.384 2.476 50 5 DEBAMO C[C@@H]1[C@@H](C)CC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097086010 402105834 /nfs/dbraw/zinc/10/58/34/402105834.db2.gz DEUWMUIZJBGQFJ-NWDGAFQWSA-N 1 1 312.391 2.099 50 5 DEBAMO C[C@@H]1[C@@H](C)CC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000097086010 402105838 /nfs/dbraw/zinc/10/58/38/402105838.db2.gz DEUWMUIZJBGQFJ-NWDGAFQWSA-N 1 1 312.391 2.099 50 5 DEBAMO COc1ccc(NC(=O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000004866932 181165884 /nfs/dbraw/zinc/16/58/84/181165884.db2.gz MUZYQEYOOJEQDO-UHFFFAOYSA-N 1 1 307.350 2.274 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000076082251 401781213 /nfs/dbraw/zinc/78/12/13/401781213.db2.gz POSWYWGDPOXOEB-STQMWFEESA-N 1 1 322.390 2.051 50 5 DEBAMO CCOC(C)(OCC)[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000025668141 401836146 /nfs/dbraw/zinc/83/61/46/401836146.db2.gz IGPXDRXJGDHSAQ-LBPRGKRZSA-N 1 1 313.310 2.292 50 5 DEBAMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000225535031 402320325 /nfs/dbraw/zinc/32/03/25/402320325.db2.gz BGTQXLHHUSHELP-UHFFFAOYSA-N 1 1 303.362 2.329 50 5 DEBAMO O=[N+]([O-])c1cc(Cl)ccc1N1CC(C[NH+]2CCOCC2)C1 ZINC000408518652 275033301 /nfs/dbraw/zinc/03/33/01/275033301.db2.gz SIFKHMUBYHJKFZ-UHFFFAOYSA-N 1 1 311.769 2.017 50 5 DEBAMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCO)CC1 ZINC000072270375 354900356 /nfs/dbraw/zinc/90/03/56/354900356.db2.gz UENFXJYNBGRGTN-LBPRGKRZSA-N 1 1 321.377 2.016 50 5 DEBAMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000097371906 285164577 /nfs/dbraw/zinc/16/45/77/285164577.db2.gz MITCFIKAIDGRPS-MJBXVCDLSA-N 1 1 306.362 2.066 50 5 DEBAMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082824 402104894 /nfs/dbraw/zinc/10/48/94/402104894.db2.gz VZVUIUNKPAYWIS-NSHDSACASA-N 1 1 311.769 2.478 50 5 DEBAMO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000106078666 194183948 /nfs/dbraw/zinc/18/39/48/194183948.db2.gz MNYRYKZVTXVSJD-ZIAGYGMSSA-N 1 1 319.405 2.374 50 5 DEBAMO Nc1ccc(N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000071893743 401693576 /nfs/dbraw/zinc/69/35/76/401693576.db2.gz ZNAYKXASUDRHTJ-UHFFFAOYSA-N 1 1 317.324 2.038 50 5 DEBAMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000029588963 401857731 /nfs/dbraw/zinc/85/77/31/401857731.db2.gz CUDONHKZCXOGIT-CQSZACIVSA-N 1 1 315.377 2.405 50 5 DEBAMO Cc1ccnc(N2CCC(Cc3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000372652674 404505325 /nfs/dbraw/zinc/50/53/25/404505325.db2.gz ADKMEZFBDOCZDA-UHFFFAOYSA-N 1 1 301.350 2.480 50 5 DEBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000106163602 194190311 /nfs/dbraw/zinc/19/03/11/194190311.db2.gz LERLPENLESAIQV-TZMCWYRMSA-N 1 1 305.378 2.456 50 5 DEBAMO CC(C)(C)[N@H+]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000063726265 184286617 /nfs/dbraw/zinc/28/66/17/184286617.db2.gz CXNRHHIMLWYJBT-UHFFFAOYSA-N 1 1 319.405 2.470 50 5 DEBAMO C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000012823052 401792368 /nfs/dbraw/zinc/79/23/68/401792368.db2.gz WOUKGDOMONFDLZ-VXGBXAGGSA-N 1 1 308.382 2.290 50 5 DEBAMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000029588964 401857305 /nfs/dbraw/zinc/85/73/05/401857305.db2.gz CUDONHKZCXOGIT-AWEZNQCLSA-N 1 1 315.377 2.405 50 5 DEBAMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000046990424 401977548 /nfs/dbraw/zinc/97/75/48/401977548.db2.gz LEJTVJUVEXCBKG-GFCCVEGCSA-N 1 1 309.366 2.430 50 5 DEBAMO C[C@H](NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968019 402038387 /nfs/dbraw/zinc/03/83/87/402038387.db2.gz TUXYRYWGASJYIK-ZDUSSCGKSA-N 1 1 307.394 2.356 50 5 DEBAMO O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000095993843 402044369 /nfs/dbraw/zinc/04/43/69/402044369.db2.gz VOGONXKTMMMBGA-GFCCVEGCSA-N 1 1 302.334 2.194 50 5 DEBAMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195570834 297027600 /nfs/dbraw/zinc/02/76/00/297027600.db2.gz DOKPVWFTFVGPBY-HZSPNIEDSA-N 1 1 320.393 2.068 50 5 DEBAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000195570834 297027601 /nfs/dbraw/zinc/02/76/01/297027601.db2.gz DOKPVWFTFVGPBY-HZSPNIEDSA-N 1 1 320.393 2.068 50 5 DEBAMO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000018202504 182097847 /nfs/dbraw/zinc/09/78/47/182097847.db2.gz WOUKGDOMONFDLZ-TXEJJXNPSA-N 1 1 308.382 2.290 50 5 DEBAMO C[C@@H]1C[N@@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000018202504 182097849 /nfs/dbraw/zinc/09/78/49/182097849.db2.gz WOUKGDOMONFDLZ-TXEJJXNPSA-N 1 1 308.382 2.290 50 5 DEBAMO CC(C)C[N@H+]1CC[C@@]2(O)Oc3ccc([N+](=O)[O-])cc3C=C2C1 ZINC000004863272 401727496 /nfs/dbraw/zinc/72/74/96/401727496.db2.gz PAFPXGOUKLXZBO-MRXNPFEDSA-N 1 1 304.346 2.421 50 5 DEBAMO CC(C)[N@H+]1CC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000229560076 402344068 /nfs/dbraw/zinc/34/40/68/402344068.db2.gz JUPVXMVXLDRUFZ-WBTMPAOCSA-N 1 1 303.362 2.207 50 5 DEBAMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072297697 191112919 /nfs/dbraw/zinc/11/29/19/191112919.db2.gz MFMYLNUMXVQCMT-HNNXBMFYSA-N 1 1 319.405 2.470 50 5 DEBAMO C[C@H](Nc1ncccc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000079099169 355296198 /nfs/dbraw/zinc/29/61/98/355296198.db2.gz ZUJUMECSPPDELV-ZDUSSCGKSA-N 1 1 320.393 2.435 50 5 DEBAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000047937973 401990998 /nfs/dbraw/zinc/99/09/98/401990998.db2.gz SVDSULIPKLVOKR-NSHDSACASA-N 1 1 316.361 2.474 50 5 DEBAMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000096007374 402046268 /nfs/dbraw/zinc/04/62/68/402046268.db2.gz LLSQLTNLGFHIGN-NSHDSACASA-N 1 1 307.350 2.135 50 5 DEBAMO COc1cc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000078252629 401844841 /nfs/dbraw/zinc/84/48/41/401844841.db2.gz RXVFZBXBBXPFKQ-NWDGAFQWSA-N 1 1 309.366 2.125 50 5 DEBAMO COc1cc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000078252629 401844843 /nfs/dbraw/zinc/84/48/43/401844843.db2.gz RXVFZBXBBXPFKQ-NWDGAFQWSA-N 1 1 309.366 2.125 50 5 DEBAMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCc3ccccn3)C2)nc1 ZINC000096443414 402088124 /nfs/dbraw/zinc/08/81/24/402088124.db2.gz BSTMIUYPNMBMNI-CQSZACIVSA-N 1 1 313.361 2.114 50 5 DEBAMO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cn2ccccc2[nH+]1 ZINC000078824090 185116131 /nfs/dbraw/zinc/11/61/31/185116131.db2.gz ZNKWHHKENZFYMU-UHFFFAOYSA-N 1 1 304.693 2.106 50 5 DEBAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])o2)C1 ZINC000004977642 353993703 /nfs/dbraw/zinc/99/37/03/353993703.db2.gz GBIAKXKXELRQKI-LBPRGKRZSA-N 1 1 309.366 2.268 50 5 DEBAMO Cc1c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000096424606 402083581 /nfs/dbraw/zinc/08/35/81/402083581.db2.gz WUGDHHXPXUSOFV-OAHLLOKOSA-N 1 1 319.405 2.057 50 5 DEBAMO C[C@@H]1CC[C@@H](C)[NH+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096502003 287684606 /nfs/dbraw/zinc/68/46/06/287684606.db2.gz NMFBACPTOZQYFO-VXGBXAGGSA-N 1 1 312.391 2.241 50 5 DEBAMO Cc1c(F)cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000063114405 184271518 /nfs/dbraw/zinc/27/15/18/184271518.db2.gz QPTPQLFKXZMJIB-LLVKDONJSA-N 1 1 307.325 2.009 50 5 DEBAMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000521394397 257241562 /nfs/dbraw/zinc/24/15/62/257241562.db2.gz YHNJFYJDLNXEBX-UHFFFAOYSA-N 1 1 311.769 2.414 50 5 DEBAMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1Cc2ccccc2C1 ZINC000097085928 402106007 /nfs/dbraw/zinc/10/60/07/402106007.db2.gz PKORFNCVBFTPDW-HNNXBMFYSA-N 1 1 314.341 2.350 50 5 DEBAMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000069563072 402231086 /nfs/dbraw/zinc/23/10/86/402231086.db2.gz UMJXSIGWEOSLPW-HNNXBMFYSA-N 1 1 318.421 2.201 50 5 DEBAMO C[N@@H+](CCn1ccc(=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000170595453 402505843 /nfs/dbraw/zinc/50/58/43/402505843.db2.gz FSXRBGGYXUIEJR-UHFFFAOYSA-N 1 1 305.309 2.028 50 5 DEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000195559641 402851078 /nfs/dbraw/zinc/85/10/78/402851078.db2.gz MSDROJWKXXTQMX-BETUJISGSA-N 1 1 324.402 2.100 50 5 DEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000195559641 402851079 /nfs/dbraw/zinc/85/10/79/402851079.db2.gz MSDROJWKXXTQMX-BETUJISGSA-N 1 1 324.402 2.100 50 5 DEBAMO C[NH+]1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000265995007 402966053 /nfs/dbraw/zinc/96/60/53/402966053.db2.gz JJRVWBFPLCOETL-UHFFFAOYSA-N 1 1 300.156 2.109 50 5 DEBAMO CC[N@H+]1C[C@@H](C)N(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346203173 146037514 /nfs/dbraw/zinc/03/75/14/146037514.db2.gz YTHOIIPGBNTNIS-UONOGXRCSA-N 1 1 307.394 2.388 50 5 DEBAMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](O)C3)co2)cc1 ZINC000089883497 401969824 /nfs/dbraw/zinc/96/98/24/401969824.db2.gz WLEWDMSQAMIHGV-AWEZNQCLSA-N 1 1 303.318 2.207 50 5 DEBAMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)C3)co2)cc1 ZINC000089883497 401969825 /nfs/dbraw/zinc/96/98/25/401969825.db2.gz WLEWDMSQAMIHGV-AWEZNQCLSA-N 1 1 303.318 2.207 50 5 DEBAMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000047937855 401990848 /nfs/dbraw/zinc/99/08/48/401990848.db2.gz DRBAGMROOOLVAU-NSHDSACASA-N 1 1 316.361 2.474 50 5 DEBAMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000096007373 402046505 /nfs/dbraw/zinc/04/65/05/402046505.db2.gz LLSQLTNLGFHIGN-LLVKDONJSA-N 1 1 307.350 2.135 50 5 DEBAMO CC(C)[N@H+]1CC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000069596343 402233965 /nfs/dbraw/zinc/23/39/65/402233965.db2.gz JUPVXMVXLDRUFZ-HSBSLETESA-N 1 1 303.362 2.207 50 5 DEBAMO C[C@@H]1OCC[C@@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641902 403022371 /nfs/dbraw/zinc/02/23/71/403022371.db2.gz ZNUGASLXMUNUFI-XJKSGUPXSA-N 1 1 306.362 2.017 50 5 DEBAMO Cc1cnc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000408514639 227235700 /nfs/dbraw/zinc/23/57/00/227235700.db2.gz HNJKTNYGPWWBSH-UHFFFAOYSA-N 1 1 316.365 2.113 50 5 DEBAMO CC[C@H]([C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C)[N+](=O)[O-] ZINC000020113879 281015697 /nfs/dbraw/zinc/01/56/97/281015697.db2.gz MQCPYEYBHUVZJP-ZWNOBZJWSA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO CC[C@H]([C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C)[N+](=O)[O-] ZINC000020113879 281015700 /nfs/dbraw/zinc/01/57/00/281015700.db2.gz MQCPYEYBHUVZJP-ZWNOBZJWSA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000047226758 401980114 /nfs/dbraw/zinc/98/01/14/401980114.db2.gz RPCQENURCKNZOD-UKRRQHHQSA-N 1 1 303.362 2.260 50 5 DEBAMO C[N@@H+](CCn1cccc([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000097377151 402123638 /nfs/dbraw/zinc/12/36/38/402123638.db2.gz MDSAPKMZLCIEGI-UHFFFAOYSA-N 1 1 305.309 2.028 50 5 DEBAMO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000104101999 402197782 /nfs/dbraw/zinc/19/77/82/402197782.db2.gz VYZSBLMRESQRAZ-ZBKLQPJUSA-N 1 1 315.373 2.209 50 5 DEBAMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000225384155 424885568 /nfs/dbraw/zinc/88/55/68/424885568.db2.gz PEXDYOCYQZOEFL-GFCCVEGCSA-N 1 1 320.393 2.397 50 5 DEBAMO C[NH+]1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004819064 273899571 /nfs/dbraw/zinc/89/95/71/273899571.db2.gz UNSTZRRKYYTHBG-UHFFFAOYSA-N 1 1 308.357 2.086 50 5 DEBAMO O=C(C[NH2+]Cc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000065668100 354687404 /nfs/dbraw/zinc/68/74/04/354687404.db2.gz ROUMVVHMKSXVMI-UHFFFAOYSA-N 1 1 303.293 2.462 50 5 DEBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCCCCC1 ZINC000006651780 181365174 /nfs/dbraw/zinc/36/51/74/181365174.db2.gz XAYZQEKYDTZFPZ-UHFFFAOYSA-N 1 1 307.350 2.418 50 5 DEBAMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000047226759 183584424 /nfs/dbraw/zinc/58/44/24/183584424.db2.gz RPCQENURCKNZOD-DZGCQCFKSA-N 1 1 303.362 2.260 50 5 DEBAMO NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000027269550 401844483 /nfs/dbraw/zinc/84/44/83/401844483.db2.gz ZTZIKGCQGUNQFA-UHFFFAOYSA-N 1 1 311.341 2.252 50 5 DEBAMO NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000027269550 401844486 /nfs/dbraw/zinc/84/44/86/401844486.db2.gz ZTZIKGCQGUNQFA-UHFFFAOYSA-N 1 1 311.341 2.252 50 5 DEBAMO C[C@@H](C1CC1)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078723322 401863494 /nfs/dbraw/zinc/86/34/94/401863494.db2.gz AITKGEDEWDUMQC-NSHDSACASA-N 1 1 303.362 2.214 50 5 DEBAMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(N)=O)CC1 ZINC000069568182 402231536 /nfs/dbraw/zinc/23/15/36/402231536.db2.gz QUYISCVMDIWZQP-UHFFFAOYSA-N 1 1 321.377 2.079 50 5 DEBAMO O=C([C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000004746224 181146712 /nfs/dbraw/zinc/14/67/12/181146712.db2.gz GQBUOBMECVJKKK-OAHLLOKOSA-N 1 1 317.389 2.429 50 5 DEBAMO C[C@@H]([NH3+])c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000170684756 355992615 /nfs/dbraw/zinc/99/26/15/355992615.db2.gz JVVQEURXHBJNNT-SNVBAGLBSA-N 1 1 321.358 2.415 50 5 DEBAMO Cc1cc(N2CCC[C@@H](C[N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132814 357336161 /nfs/dbraw/zinc/33/61/61/357336161.db2.gz XFTNYKVZIQMDPQ-GOEBONIOSA-N 1 1 319.405 2.186 50 5 DEBAMO CS[C@H]1CCC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072896427 401713696 /nfs/dbraw/zinc/71/36/96/401713696.db2.gz WPKPBRVICVSWIX-OCCSQVGLSA-N 1 1 323.418 2.410 50 5 DEBAMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000096435726 402086395 /nfs/dbraw/zinc/08/63/95/402086395.db2.gz AVZYDHOLDVPDTN-KBPBESRZSA-N 1 1 322.390 2.051 50 5 DEBAMO C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757815 355277296 /nfs/dbraw/zinc/27/72/96/355277296.db2.gz REFQDNMXDGDGLV-OLZOCXBDSA-N 1 1 320.393 2.249 50 5 DEBAMO COc1ccc(NC(=O)C[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000006849561 257234012 /nfs/dbraw/zinc/23/40/12/257234012.db2.gz DONNJCHPVGCLTO-UHFFFAOYSA-N 1 1 307.350 2.418 50 5 DEBAMO CC[NH+]1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1 ZINC000004168645 401725576 /nfs/dbraw/zinc/72/55/76/401725576.db2.gz SQJMTMUXLOOMQG-UHFFFAOYSA-N 1 1 322.384 2.476 50 5 DEBAMO CC[C@H]([C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C)[N+](=O)[O-] ZINC000020113874 401822917 /nfs/dbraw/zinc/82/29/17/401822917.db2.gz MQCPYEYBHUVZJP-MFKMUULPSA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO CC[C@H]([C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C)[N+](=O)[O-] ZINC000020113874 401822920 /nfs/dbraw/zinc/82/29/20/401822920.db2.gz MQCPYEYBHUVZJP-MFKMUULPSA-N 1 1 308.334 2.008 50 5 biogenic DEBAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000032895431 401885453 /nfs/dbraw/zinc/88/54/53/401885453.db2.gz JPKKOMQEHWUDCY-LLVKDONJSA-N 1 1 322.365 2.209 50 5 DEBAMO CC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[NH+]1CCOCC1 ZINC000225817550 402324339 /nfs/dbraw/zinc/32/43/39/402324339.db2.gz GGEKUQUXIILRIM-UHFFFAOYSA-N 1 1 321.377 2.322 50 5 DEBAMO O=[N+]([O-])c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000032823949 275036689 /nfs/dbraw/zinc/03/66/89/275036689.db2.gz RVYFEWBATUZWFO-GFCCVEGCSA-N 1 1 306.322 2.178 50 5 DEBAMO NC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000084351059 539395037 /nfs/dbraw/zinc/39/50/37/539395037.db2.gz IRHZSPCFSXPYBE-NSHDSACASA-N 1 1 318.377 2.123 50 5 DEBAMO O=[N+]([O-])c1ccsc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000096492819 285170358 /nfs/dbraw/zinc/17/03/58/285170358.db2.gz JFVMPLCZNKZEBL-UHFFFAOYSA-N 1 1 311.407 2.347 50 5 DEBAMO COc1cc(NC(=O)C[NH+]2CCCCC2)c(C)cc1[N+](=O)[O-] ZINC000007780818 401744076 /nfs/dbraw/zinc/74/40/76/401744076.db2.gz BLRCIYMHLSYXKO-UHFFFAOYSA-N 1 1 307.350 2.336 50 5 DEBAMO Cc1cc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247527147 524155402 /nfs/dbraw/zinc/15/54/02/524155402.db2.gz ZNGCZULONJUESG-DOMZBBRYSA-N 1 1 305.378 2.362 50 5 DEBAMO Cc1cc(N2CCC[C@@H](C[N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000585132815 357336315 /nfs/dbraw/zinc/33/63/15/357336315.db2.gz XFTNYKVZIQMDPQ-HOCLYGCPSA-N 1 1 319.405 2.186 50 5 DEBAMO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000010328243 401769889 /nfs/dbraw/zinc/76/98/89/401769889.db2.gz FGXWJJZGAICXDR-ZDUSSCGKSA-N 1 1 303.318 2.221 50 5 DEBAMO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000097086009 402105891 /nfs/dbraw/zinc/10/58/91/402105891.db2.gz DEUWMUIZJBGQFJ-VXGBXAGGSA-N 1 1 312.391 2.099 50 5 DEBAMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000097086009 402105893 /nfs/dbraw/zinc/10/58/93/402105893.db2.gz DEUWMUIZJBGQFJ-VXGBXAGGSA-N 1 1 312.391 2.099 50 5 DEBAMO Cc1cc([N+](=O)[O-])cn(CC[N@H+](C)Cc2ccc(F)cc2)c1=O ZINC000097377160 402123623 /nfs/dbraw/zinc/12/36/23/402123623.db2.gz VYCRMPNXDNUMCV-UHFFFAOYSA-N 1 1 319.336 2.336 50 5 DEBAMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000195559643 402850952 /nfs/dbraw/zinc/85/09/52/402850952.db2.gz MSDROJWKXXTQMX-CHWSQXEVSA-N 1 1 324.402 2.100 50 5 DEBAMO C[C@@H]1CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000252486062 563915882 /nfs/dbraw/zinc/91/58/82/563915882.db2.gz DEUWMUIZJBGQFJ-NEPJUHHUSA-N 1 1 312.391 2.099 50 5 DEBAMO C[C@@H]1CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000252486062 563915883 /nfs/dbraw/zinc/91/58/83/563915883.db2.gz DEUWMUIZJBGQFJ-NEPJUHHUSA-N 1 1 312.391 2.099 50 5 DEBAMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCCCO3)C2)nc1 ZINC000252677544 402660728 /nfs/dbraw/zinc/66/07/28/402660728.db2.gz ZBWKJWYVYWUYMR-GXTWGEPZSA-N 1 1 306.366 2.045 50 5 DEBAMO C[C@@H]1OCC[C@]12C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000280641884 403022420 /nfs/dbraw/zinc/02/24/20/403022420.db2.gz ZNUGASLXMUNUFI-BBRMVZONSA-N 1 1 306.362 2.017 50 5 DEBAMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H](O)CC1CCCC1)CC2 ZINC000225598333 186281549 /nfs/dbraw/zinc/28/15/49/186281549.db2.gz VUDGAKLEPXLTPV-HNNXBMFYSA-N 1 1 305.378 2.289 50 5 DEBAMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](C[C@@H](O)CC1CCCC1)CC2 ZINC000225598333 186281551 /nfs/dbraw/zinc/28/15/51/186281551.db2.gz VUDGAKLEPXLTPV-HNNXBMFYSA-N 1 1 305.378 2.289 50 5 DEBAMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCS1 ZINC000072836485 191237175 /nfs/dbraw/zinc/23/71/75/191237175.db2.gz NOOREMLMNQGZPY-CQSZACIVSA-N 1 1 323.418 2.267 50 5 DEBAMO C[NH+]1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 ZINC000004873180 401727646 /nfs/dbraw/zinc/72/76/46/401727646.db2.gz FETWKANGXJUEDP-UHFFFAOYSA-N 1 1 308.357 2.086 50 5 DEBAMO CN(CCC[N@@H+](C)Cc1ccncc1)c1ncccc1[N+](=O)[O-] ZINC000585092440 405865918 /nfs/dbraw/zinc/86/59/18/405865918.db2.gz WXHXEFVPINUVLL-UHFFFAOYSA-N 1 1 315.377 2.343 50 5 DEBAMO C[C@@H](NCC1([NH+](C)C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000095968020 287018397 /nfs/dbraw/zinc/01/83/97/287018397.db2.gz TUXYRYWGASJYIK-CYBMUJFWSA-N 1 1 307.394 2.356 50 5 DEBAMO C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000078757802 355277218 /nfs/dbraw/zinc/27/72/18/355277218.db2.gz REFQDNMXDGDGLV-STQMWFEESA-N 1 1 320.393 2.249 50 5 DEBAMO C[C@H]1CC[C@H](C)[NH+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000096502002 402097417 /nfs/dbraw/zinc/09/74/17/402097417.db2.gz NMFBACPTOZQYFO-RYUDHWBXSA-N 1 1 312.391 2.241 50 5 DEBAMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1Cc2ccccc2C1 ZINC000097085929 402105859 /nfs/dbraw/zinc/10/58/59/402105859.db2.gz PKORFNCVBFTPDW-OAHLLOKOSA-N 1 1 314.341 2.350 50 5 DEBAMO C[NH+]1CCN(c2cc(F)c(Br)cc2[N+](=O)[O-])CC1 ZINC000004053567 273899530 /nfs/dbraw/zinc/89/95/30/273899530.db2.gz MPGYSAJHWBDYJE-UHFFFAOYSA-N 1 1 318.146 2.248 50 5 DEBAMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072794242 191228371 /nfs/dbraw/zinc/22/83/71/191228371.db2.gz WGRLHAQCJIAQFE-STQMWFEESA-N 1 1 323.418 2.410 50 5 DEBAMO Cc1c([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967706 402038266 /nfs/dbraw/zinc/03/82/66/402038266.db2.gz MYEUNCHBJXROHE-RRFJBIMHSA-N 1 1 319.405 2.417 50 5 DEBAMO Cc1c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000095967706 402038268 /nfs/dbraw/zinc/03/82/68/402038268.db2.gz MYEUNCHBJXROHE-RRFJBIMHSA-N 1 1 319.405 2.417 50 5 DEBAMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000160480462 297019919 /nfs/dbraw/zinc/01/99/19/297019919.db2.gz DOKPVWFTFVGPBY-MJBXVCDLSA-N 1 1 320.393 2.068 50 5 DEBAMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2ncccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000160480462 297019923 /nfs/dbraw/zinc/01/99/23/297019923.db2.gz DOKPVWFTFVGPBY-MJBXVCDLSA-N 1 1 320.393 2.068 50 5 DEBAMO C[C@@]12CC[C@@H](C1)C(C)(C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000585116047 789702203 /nfs/dbraw/zinc/70/22/03/789702203.db2.gz FMAGWHZLYOGSHH-DUVNUKRYSA-N 1 1 322.409 2.053 50 5 DEBAMO CC[NH+](CC)CCN(C)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000004989384 181185866 /nfs/dbraw/zinc/18/58/66/181185866.db2.gz XUIWRTLQXYRJAE-UHFFFAOYSA-N 1 1 311.382 2.083 50 5 DEBAMO CS[C@H]1CCC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000072896428 401713938 /nfs/dbraw/zinc/71/39/38/401713938.db2.gz WPKPBRVICVSWIX-JSGCOSHPSA-N 1 1 323.418 2.410 50 5 DEBAMO CC(C)C(=O)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075138831 401751575 /nfs/dbraw/zinc/75/15/75/401751575.db2.gz KVYWFKJQVGOUOL-UHFFFAOYSA-N 1 1 319.405 2.328 50 5 DEBAMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000047226793 401980524 /nfs/dbraw/zinc/98/05/24/401980524.db2.gz YXAKSGRPDJHZLU-XLBHYRNJSA-N 1 1 315.373 2.351 50 5 DEBAMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000225384127 424885565 /nfs/dbraw/zinc/88/55/65/424885565.db2.gz PEXDYOCYQZOEFL-LBPRGKRZSA-N 1 1 320.393 2.397 50 5 DEBAMO CCOC(C)(OCC)[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000025668147 401836263 /nfs/dbraw/zinc/83/62/63/401836263.db2.gz IGPXDRXJGDHSAQ-GFCCVEGCSA-N 1 1 313.310 2.292 50 5 DEBAMO Cc1ccn(Cc2cn3cc(Cl)ccc3[nH+]2)c(=O)c1[N+](=O)[O-] ZINC000096472056 402093008 /nfs/dbraw/zinc/09/30/08/402093008.db2.gz GDFKONQZHFGPKG-UHFFFAOYSA-N 1 1 318.720 2.414 50 5 DEBAMO